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O=C(N[C@@H]1C2=CC=CC=C2C[C@H]1NC(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300030884643	1	39	-1.0	-53.11	360.95	-1.71	-54.82
O=C(N[C@@H]1CC2=CC=CC=C2[C@H]1NC(=O)C1=C[N-]N=CC1=O)C1=NSNC1=O	REAL300030884690	0	41	-1.0	-46.12	370.08	1.41	-44.71
O=C(N[C@@H]1C2=CC=CC=C2C[C@H]1NC(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300030884727	0	40	-1.0	-52.38	362.86	-0.80	-53.18
O=C(N[C@@H]1C2=CC=CC=C2C[C@H]1NC(=O)C1=NSNC1=O)C1=NC(=O)N[N-]1	REAL300030884746	0	39	-1.0	-52.07	360.47	-2.03	-54.10
O=C(N[C@@H]1CC2=CC=CC=C2[C@H]1NC(=O)C1=CN=CC([O-])=C1)C1=NSNC1=O	REAL300030884817	1	42	-1.0	-57.97	377.73	1.00	-56.97
O=C(N[C@@H]1CC2=CC=CC=C2[C@H]1NC(=O)C1=CC=NC=C1[O-])C1=NSNC1=O	REAL300030884970	0	42	-1.0	-62.85	375.63	2.54	-60.31
O=C(N[C@@H]1C2=CC=CC=C2C[C@H]1NC(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300030884972	0	39	-1.0	-55.52	358.87	-0.27	-55.79
O=C(N[C@@H]1CC2=CC=CC=C2[C@H]1NC(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300030885200	0	39	-1.0	-54.71	358.89	-0.30	-55.01
CN(CC1CCCN1C(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300030886355	0	40	-1.0	-55.93	343.20	-1.51	-57.44
CN(CC1CCCN1C(=O)CN1C(=O)[N-]NC1=O)C(=O)C1=NSNC1=O	REAL300030886439	0	42	-1.0	-56.72	360.81	-0.02	-56.74
CN(CC1CCCN1C(=O)C1=CN([O-])C(=O)C=C1)C(=O)C1=NSNC1=O	REAL300030887030	0	42	-1.0	-69.80	341.65	4.58	-65.22
CN(CC1CCCN1C(=O)C1=CC(=O)NC([O-])=C1)C(=O)C1=NSNC1=O	REAL300030887144	0	42	-1.0	-57.86	342.42	-0.14	-58.00
CN(CC1CCCN1C(=O)C1=COC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300030887155	1	38	-1.0	-52.44	326.85	0.53	-51.91
CCN1[N-]C(C(=O)N2CCCC2CN(C)C(=O)C2=NSNC2=O)=CC1=O	REAL300030887325	0	45	-1.0	-55.27	376.25	3.27	-52.00
CN(CC1CCCN1C(=O)CC1=CC(=O)N[N-]1)C(=O)C1=NSNC1=O	REAL300030887333	1	42	-1.0	-59.28	355.81	1.05	-58.23
CN(CC1CCCN1C(=O)C1=CC=CC(=S)N1[O-])C(=O)C1=NSNC1=O	REAL300030887351	0	42	-1.0	-86.65	348.14	5.45	-81.20
CN(CC1CCCN1C(=O)CC1SC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300030887360	0	42	-1.0	-51.22	368.93	-0.42	-51.64
CN(CC1CCCN1C(=O)C1=NN(C)C(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300030887376	0	41	-1.0	-57.98	349.16	0.81	-57.17
CN(CC1CCCN1C(=O)C1=C[N-]N=CC1=O)C(=O)C1=NSNC1=O	REAL300030887465	0	40	-1.0	-42.27	313.53	0.82	-41.45
CN(CC1CCCN1C(=O)C1=CC(=O)N[N-]1)C(=O)C1=NSNC1=O	REAL300030887564	0	39	-1.0	-51.92	331.72	0.63	-51.29
CN(CC1CCCN1C(=O)C(=O)[PH](C)(C)[O-])C(=O)C1=NSNC1=O	REAL300030887569	0	44	-1.0	-51.17	366.81	1.86	-49.31
CN(CC1CCCN1C(=O)C1=CC=CN([O-])C1=O)C(=O)C1=NSNC1=O	REAL300030887600	0	42	-1.0	-64.71	350.44	4.00	-60.71
CC1SC(C(=O)N2CCCC2CN(C)C(=O)C2=NSNC2=O)=NC1=O	REAL300030887628	0	41	-1.0	-58.21	358.65	1.30	-56.91
CC1=C([O-])N=C(C(=O)N2CCCC2CN(C)C(=O)C2=NSNC2=O)S1	REAL300030887628	1	41	-1.0	-58.21	358.65	1.30	-56.91
CN(CC1CCCN1C(=O)C1=CC(=O)C=C(Cl)N1)C(=O)C1=NSNC1=O	REAL300030887642	0	41	-1.0	-48.51	361.59	4.17	-44.34
CN(CC1CCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1)C(=O)C1=NSNC1=O	REAL300030887642	1	41	-1.0	-48.51	361.59	4.17	-44.34
CN(CC1CCCN1C(=O)C1=CC(=O)N([O-])C=C1)C(=O)C1=NSNC1=O	REAL300030887659	0	42	-1.0	-73.39	343.63	4.43	-68.96
CN(CC1CCCN1C(=O)C1=CC=CC(=O)N1[O-])C(=O)C1=NSNC1=O	REAL300030887692	0	42	-1.0	-84.72	337.02	4.44	-80.28
CN(CC1CCCN1C(=O)CC1=C([O-])N=C(N)S1)C(=O)C1=NSNC1=O	REAL300030887815	0	43	-1.0	-71.30	376.48	-0.52	-71.82
CN(CC1CCCN1C(=O)CC1=NC([O-])=CS1)C(=O)C1=NSNC1=O	REAL300030887860	0	41	-1.0	-70.80	361.66	0.33	-70.47
CCC1=NC=C(C(=O)N2CCCC2CN(C)C(=O)C2=NSNC2=O)C(=O)N1	REAL300030887878	0	46	-1.0	-43.33	353.05	1.86	-41.47
CCC1=NC=C(C(=O)N2CCCC2CN(C)C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300030887878	1	46	-1.0	-43.33	353.05	1.86	-41.47
CC1=CC(=O)C(C(=O)N2CCCC2CN(C)C(=O)C2=NSNC2=O)=N[N-]1	REAL300030888089	0	43	-1.0	-55.19	360.39	4.37	-50.82
CN(CC1CCCN1C(=O)C1=NNC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300030888104	0	38	-1.0	-55.03	326.40	-0.85	-55.88
CN(CC1CCCN1C(=O)C1=CN=C(C=N[O-])S1)C(=O)C1=NSNC1=O	REAL300030888215	0	41	-1.0	-65.41	365.12	1.51	-63.90
COC1=NC(C(=O)N2CCCC2CN(C)C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300030888228	0	44	-1.0	-56.27	369.49	-0.86	-57.13
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=NC=CC=C1[O-]	REAL300030888484	1	41	-1.0	-62.68	344.01	4.29	-58.39
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=NNC(=O)[N-]C1=O	REAL300030888607	0	40	-1.0	-55.39	343.61	-1.55	-56.94
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)CN1C(=O)[N-]NC1=O	REAL300030888767	0	42	-1.0	-57.15	359.64	-0.08	-57.23
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300030890086	1	42	-1.0	-60.06	366.66	4.77	-55.29
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300030890111	1	43	-1.0	-50.21	367.31	3.88	-46.33
CCC1=NC=C(C(=O)N(C)CC2CCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300030890194	1	46	-1.0	-59.74	386.59	2.45	-57.29
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=COC(=O)[N-]1	REAL300030890212	1	38	-1.0	-60.64	327.15	0.63	-60.01
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C[N-]C(=O)C(F)(F)F	REAL300030890279	0	41	-1.0	-50.39	365.14	0.19	-50.20
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)CC1=C([O-])N=C(N)S1	REAL300030890280	0	43	-1.0	-70.48	376.35	-0.61	-71.09
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=C(F)C=C([O-])C=C1F	REAL300030890289	0	42	-1.0	-50.56	368.62	3.77	-46.79
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C=C1F	REAL300030890304	1	42	-1.0	-55.38	352.68	3.56	-51.82
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC([O-])=CC(=O)O1	REAL300030890310	0	41	-1.0	-52.30	351.96	3.00	-49.30
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300030890317	1	43	-1.0	-52.81	370.12	3.92	-48.89
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300030890320	0	41	-1.0	-56.47	361.81	2.77	-53.70
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300030890336	0	43	-1.0	-59.35	369.98	-1.19	-60.54
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)CCC1=NC(=O)[N-]N1	REAL300030890398	1	44	-1.0	-62.29	370.95	0.02	-62.27
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=C[N-]N=CC1=O	REAL300030890414	0	40	-1.0	-49.99	345.16	2.14	-47.85
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CC(F)=C1[O-]	REAL300030890423	0	42	-1.0	-65.22	355.97	4.36	-60.86
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CC([O-])=C1F	REAL300030890509	1	42	-1.0	-63.56	356.25	3.59	-59.97
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N[N-]1	REAL300030890607	0	39	-1.0	-51.88	331.74	0.67	-51.21
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C(=O)[PH](C)(C)[O-]	REAL300030890613	0	44	-1.0	-51.47	366.89	2.14	-49.33
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N([O-])C=C1	REAL300030890700	0	42	-1.0	-64.88	362.57	4.25	-60.63
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=NNC(=O)[N-]1	REAL300030890724	0	38	-1.0	-54.45	326.92	-0.87	-55.32
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=C(O)C=CC=C1Cl	REAL300030890727	0	42	-1.0	-57.20	371.61	4.15	-53.05
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=C([O-])C=CC=C1Cl	REAL300030890727	1	42	-1.0	-57.20	371.61	4.15	-53.05
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CN([O-])C1=O	REAL300030890731	0	42	-1.0	-71.54	361.46	4.27	-67.27
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=C(F)C=CC(O)=C1F	REAL300030890760	0	42	-1.0	-55.68	368.00	3.75	-51.93
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=C(F)C=CC([O-])=C1F	REAL300030890760	1	42	-1.0	-55.68	368.00	3.75	-51.93
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(F)=CC=C1O	REAL300030890895	0	42	-1.0	-59.61	356.35	4.32	-55.29
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(F)=CC=C1[O-]	REAL300030890895	1	42	-1.0	-59.61	356.35	4.32	-55.29
CC1=CC=NC(C(=O)N(C)CC2CCCN2C(=O)C2=NSNC2=O)=C1[O-]	REAL300030890958	1	44	-1.0	-63.27	363.88	5.05	-58.22
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CN=CC([O-])=C1	REAL300030891062	1	41	-1.0	-53.65	344.26	1.70	-51.95
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CC(=S)N1[O-]	REAL300030891072	0	42	-1.0	-80.34	372.85	4.64	-75.70
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300030891179	0	41	-1.0	-49.75	361.85	3.27	-46.48
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C=C1Cl	REAL300030891217	1	42	-1.0	-54.30	360.92	4.02	-50.28
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)CC1=NC([O-])=CS1	REAL300030891228	0	41	-1.0	-70.20	361.54	0.27	-69.93
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=C([O-])C=CC=C1F	REAL300030891243	1	42	-1.0	-61.53	362.11	3.77	-57.76
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300030891245	0	44	-1.0	-57.60	375.75	0.92	-56.68
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C(F)C=C1[O-]	REAL300030891246	0	42	-1.0	-61.35	352.41	4.88	-56.47
CC1=CC=C(F)C([O-])=C1C(=O)N(C)CC1CCCN1C(=O)C1=NSNC1=O	REAL300030891276	0	45	-1.0	-62.41	381.06	4.33	-58.08
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)CC1SC(=O)[N-]C1=O	REAL300030891338	0	42	-1.0	-49.69	368.82	-0.51	-50.20
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C(F)=C1F	REAL300030891363	0	42	-1.0	-56.11	362.50	3.68	-52.43
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300030891369	0	42	-1.0	-60.39	365.80	4.84	-55.55
CC1=CC(=O)C(C(=O)N(C)CC2CCCN2C(=O)C2=NSNC2=O)=N[N-]1	REAL300030891397	0	43	-1.0	-54.65	360.78	4.31	-50.34
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CC(=O)N1[O-]	REAL300030891422	0	42	-1.0	-76.73	361.74	4.02	-72.71
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300030891450	0	42	-1.0	-52.83	371.17	1.97	-50.86
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=NN(C)C(=O)[N-]1	REAL300030891496	0	41	-1.0	-73.75	350.88	0.66	-73.09
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=C(F)C=CC(O)=C1O	REAL300030891545	0	43	-1.0	-79.69	372.84	1.77	-77.92
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300030891545	1	43	-1.0	-79.69	372.84	1.77	-77.92
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300030891554	0	43	-1.0	-57.32	369.86	4.93	-52.39
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300030891637	0	42	-1.0	-55.15	366.57	1.66	-53.49
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C(F)C(O)=C1	REAL300030891688	0	42	-1.0	-61.53	355.80	3.56	-57.97
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C(F)C([O-])=C1	REAL300030891688	1	42	-1.0	-61.53	355.80	3.56	-57.97
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C(Cl)C=C1O	REAL300030891706	0	42	-1.0	-61.07	362.73	5.32	-55.75
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300030891706	1	42	-1.0	-61.07	362.73	5.32	-55.75
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300030891773	0	40	-1.0	-53.92	344.69	-1.63	-55.55
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300030891773	1	40	-1.0	-59.71	345.80	-0.99	-60.70
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CN=C(N)[N-]C1=O	REAL300030891827	1	42	-1.0	-57.80	359.61	0.82	-56.98
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C(F)C([O-])=C1F	REAL300030891860	0	42	-1.0	-63.12	362.45	3.65	-59.47
COC1=NC(C(=O)N(C)CC2CCCN2C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300030891902	0	44	-1.0	-55.75	370.26	-0.70	-56.45
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300030891911	0	41	-1.0	-80.00	360.35	4.78	-75.22
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CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CN=C(C=N[O-])S1	REAL300030892097	0	41	-1.0	-65.69	364.99	1.52	-64.17
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CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)NC([O-])=C1	REAL300030892138	0	42	-1.0	-62.23	363.07	-0.74	-62.97
CCN1[N-]C(C(=O)N(C)CC2CCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300030892195	0	45	-1.0	-55.29	376.29	3.31	-51.98
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(C)[N-]1	REAL300030892214	0	42	-1.0	-54.16	355.03	2.32	-51.84
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300030892224	0	42	-1.0	-68.20	371.70	0.09	-68.11
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300030892351	1	42	-1.0	-58.82	355.70	0.98	-57.84
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C(F)=C1	REAL300030892356	1	42	-1.0	-57.25	355.77	3.60	-53.65
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CC(=O)[N-]C1=NC(C(=O)NC2CC(CNC(=O)C3=NSNC3=O)C2)=CS1	REAL300030895977	1	41	-1.0	-47.34	381.10	-1.36	-48.70
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COC1=C(C(=O)NC2CC(CNC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300030896244	1	42	-1.0	-58.47	376.23	-3.73	-62.20
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CC1=C(CC(=O)NC2CC(CNC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300030897968	0	45	-1.0	-62.11	394.47	0.12	-61.99
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C[PH](C)([O-])C(=O)C(=O)NC1CC(CNC(=O)C2=NSNC2=O)C1	REAL300030898059	0	41	-1.0	-53.27	363.95	-1.64	-54.91
CN1[N-]C(CC(=O)NC2CC(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300030898062	0	42	-1.0	-63.68	374.59	-0.61	-64.29
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CSC1=NC=C(C(=O)NC2CC(CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300030898128	1	41	-1.0	-52.66	377.54	-0.92	-53.58
CC1=C([O-])N=C(C(=O)NC2CC(CNC(=O)C3=NSNC3=O)C2)S1	REAL300030898153	1	38	-1.0	-56.25	357.45	-2.78	-59.03
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O=C(C[N-]C(=O)C(F)(F)F)NC1CC(CNC(=O)C2=NSNC2=O)C1	REAL300030898426	0	38	-1.0	-51.22	361.08	-3.04	-54.26
NC1=NC([O-])=C(CC(=O)NC2CC(CNC(=O)C3=NSNC3=O)C2)S1	REAL300030898427	0	40	-1.0	-70.65	372.43	-3.93	-74.58
O=C(CC1=NC([O-])=CS1)NC1CC(CNC(=O)C2=NSNC2=O)C1	REAL300030898487	0	38	-1.0	-72.19	357.61	-3.06	-75.25
CCC1=NC=C(C(=O)NC2CC(CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300030898512	1	43	-1.0	-51.95	376.29	-0.44	-52.39
O=C(CN1N=CC(=O)[N-]C1=O)NC1CC(CNC(=O)C2=NSNC2=O)C1	REAL300030898524	0	40	-1.0	-62.70	367.11	-4.49	-67.19
O=C(NCC1CC(NC(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=NSNC1=O	REAL300030898601	0	35	-1.0	-54.37	348.66	-1.66	-56.03
COCC1=NC=C(C(=O)NC2CC(CNC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300030898708	0	44	-1.0	-52.82	389.23	-2.19	-55.01
COCC1=NC=C(C(=O)NC2CC(CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300030898708	1	44	-1.0	-52.82	389.23	-2.19	-55.01
CC1=CC(=O)C(C(=O)NC2CC(CNC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300030898809	0	40	-1.0	-54.55	359.62	0.86	-53.69
O=C(NCC1CC(NC(=O)C2=NNC(=O)[N-]2)C1)C1=NSNC1=O	REAL300030898828	0	35	-1.0	-55.07	325.47	-4.37	-59.44
O=C(NCC1CC(NC(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C1)C1=NSNC1=O	REAL300030898853	0	40	-1.0	-51.89	368.16	0.12	-51.77
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COC1=NC(C(=O)NC2CC(CNC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300030899011	0	41	-1.0	-57.89	371.80	-4.96	-62.85
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O=C(CCN1C=C[N-]C(=O)C1=O)NCC1CC(NC(=O)C2=NSNC2=O)C1	REAL300030899390	1	44	-1.0	-64.39	392.61	-0.70	-65.09
CC(=O)[N-]C1=NC(C(=O)NCC2CC(NC(=O)C3=NSNC3=O)C2)=CS1	REAL300030899402	1	41	-1.0	-49.05	381.10	-1.37	-50.42
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COC1=C(C(=O)NCC2CC(NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300030899488	1	42	-1.0	-57.57	376.11	-3.67	-61.24
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NC1=CC=C(C(=O)NCC2CC(NC(=O)C3=NSNC3=O)C2)C([O-])=C1Cl	REAL300030901789	0	41	-1.0	-68.15	374.25	0.71	-67.44
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CCC1=NC=C(C(=O)NCC2CC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300030901882	1	43	-1.0	-50.21	376.10	-0.39	-50.60
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CC1=CC=NC(C(=O)NCC2CC(NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300030902985	1	41	-1.0	-64.56	363.35	1.24	-63.32
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NC1=CC(C(=O)NCC2CC(NC(=O)C3=NSNC3=O)C2)=CC([O-])=C1Cl	REAL300030903325	1	41	-1.0	-54.14	376.68	-0.91	-55.05
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CC1=CC=C(F)C([O-])=C1C(=O)NCC1CC(NC(=O)C2=NSNC2=O)C1	REAL300030903482	0	42	-1.0	-64.52	377.25	1.08	-63.44
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CC(CNC(=O)C1=CN=C(CC2CC2)NC1=O)N(C)C(=O)C1=NSNC1=O	REAL300030937833	0	46	-1.0	-56.61	390.00	2.46	-54.15
CC(CNC(=O)C1=CN=C(CC2CC2)[N-]C1=O)N(C)C(=O)C1=NSNC1=O	REAL300030937833	1	46	-1.0	-56.61	390.00	2.46	-54.15
CC1=CC(=O)C(C(=O)NCC(C)N(C)C(=O)C2=NSNC2=O)=N[N-]1	REAL300030937941	0	39	-1.0	-56.86	342.85	2.10	-54.76
CC(CNC(=O)C1=NC(=O)N[N-]1)N(C)C(=O)C1=NSNC1=O	REAL300030937965	0	34	-1.0	-55.52	308.72	-2.99	-58.51
CC(CNC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N(C)C(=O)C1=NSNC1=O	REAL300030937996	1	39	-1.0	-52.62	351.32	1.32	-51.30
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CC(CNC(=O)C1=CN=C(C=N[O-])S1)N(C)C(=O)C1=NSNC1=O	REAL300030938159	0	37	-1.0	-63.44	349.50	-0.11	-63.55
COC1=NC(C(=O)NCC(C)N(C)C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300030938180	0	40	-1.0	-54.88	354.85	-3.68	-58.56
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=NC=CC=C1[O-]	REAL300030938437	1	37	-1.0	-57.23	325.67	2.05	-55.18
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300030938568	1	43	-1.0	-55.51	378.14	0.20	-55.31
CC(=O)[N-]C1=NC(C(=O)N(C)C(C)CNC(=O)C2=NSNC2=O)=CS1	REAL300030938586	1	40	-1.0	-43.77	363.82	0.18	-43.59
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=NNC(=O)[N-]C1=O	REAL300030938627	0	36	-1.0	-51.90	325.24	-3.82	-55.72
COC1=C(C(=O)N(C)C(C)CNC(=O)C2=NSNC2=O)NC(=O)[N-]C1=O	REAL300030938697	1	41	-1.0	-51.41	367.99	-4.20	-55.61
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)CN1C(=O)[N-]NC1=O	REAL300030938908	0	38	-1.0	-50.81	342.19	-2.44	-53.25
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300030938978	0	42	-1.0	-56.01	375.71	0.44	-55.57
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)CCCN1C(=O)[N-]NC1=O	REAL300030940175	0	44	-1.0	-51.99	384.70	-1.20	-53.19
CC(C)CN1[N-]C(CC(=O)N(C)C(C)CNC(=O)C2=NSNC2=O)=CC1=O	REAL300030940386	0	50	-1.0	-58.49	419.14	2.57	-55.92
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300030940446	1	43	-1.0	-50.16	379.30	0.68	-49.48
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	REAL300030940699	0	43	-1.0	-40.37	367.70	0.46	-39.91
CC1=C(C(=O)N(C)C(C)CNC(=O)C2=NSNC2=O)C(=O)[N-]C(C(C)C)=N1	REAL300030941254	1	48	-1.0	-51.18	406.68	1.04	-50.14
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300030941600	0	42	-1.0	-52.23	372.40	-3.94	-56.17
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300030941610	0	40	-1.0	-53.47	355.45	2.98	-50.49
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300030941629	1	38	-1.0	-51.14	348.52	2.47	-48.67
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300030941670	1	39	-1.0	-45.92	350.35	1.51	-44.41
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=C(N)C(Cl)=C1[O-]	REAL300030941707	0	40	-1.0	-55.17	360.43	0.46	-54.71
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300030941781	0	40	-1.0	-57.76	358.08	3.52	-54.24
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CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=COC(=O)[N-]1	REAL300030941851	1	34	-1.0	-47.37	308.75	-1.63	-49.00
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=CC([O-])=C1[N+](=O)[O-]	REAL300030941948	0	40	-1.0	-63.01	361.46	2.14	-60.87
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=NC(N)=CC(=O)[N-]1	REAL300030943000	0	38	-1.0	-55.74	337.82	-1.95	-57.69
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)CN1C=C(C#N)C(=O)[N-]C1=O	REAL300030943016	0	41	-1.0	-59.54	376.92	-1.27	-60.81
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300030943093	0	38	-1.0	-49.64	345.49	1.73	-47.91
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC(F)=CC=C1[O-]	REAL300030943102	1	38	-1.0	-50.83	338.20	2.03	-48.80
CC1=CC=NC(C(=O)N(C)C(C)CNC(=O)C2=NSNC2=O)=C1[O-]	REAL300030943218	1	40	-1.0	-56.77	346.30	2.72	-54.05
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300030943287	0	38	-1.0	-54.69	354.24	2.55	-52.14
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CN=CC([O-])=C1	REAL300030943429	1	37	-1.0	-53.89	324.50	-0.74	-54.63
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=CC(=S)N1[O-]	REAL300030943445	0	38	-1.0	-75.15	354.16	2.31	-72.84
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300030943620	1	46	-1.0	-50.11	395.06	1.22	-48.89
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300030943639	1	40	-1.0	-49.70	358.20	-0.38	-50.08
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300030943644	0	37	-1.0	-45.18	344.27	0.85	-44.33
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N	REAL300030943722	0	42	-1.0	-54.76	370.55	1.07	-53.69
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=C([O-])C=C1Cl	REAL300030943729	1	38	-1.0	-51.13	342.42	1.66	-49.47
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300030943732	0	41	-1.0	-49.91	365.67	0.26	-49.65
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)CC1=NC([O-])=CS1	REAL300030943747	0	37	-1.0	-67.56	343.00	-2.08	-69.64
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=C([O-])C=CC=C1F	REAL300030943775	0	38	-1.0	-54.53	343.44	1.45	-53.08
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300030943779	0	40	-1.0	-51.51	358.27	-1.47	-52.98
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=C(F)C=C1[O-]	REAL300030943784	0	38	-1.0	-57.07	334.03	2.70	-54.37
CC1=CC=C(F)C([O-])=C1C(=O)N(C)C(C)CNC(=O)C1=NSNC1=O	REAL300030943845	0	41	-1.0	-60.58	359.36	2.07	-58.51
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=C(F)C([O-])=C1F	REAL300030944958	0	38	-1.0	-58.55	344.53	1.31	-57.24
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300030945031	0	38	-1.0	-49.48	351.68	1.78	-47.70
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030945040	1	39	-1.0	-48.66	350.65	0.64	-48.02
COC1=NC(C(=O)N(C)C(C)CNC(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300030945047	0	40	-1.0	-52.02	353.10	-3.05	-55.07
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300030945050	0	40	-1.0	-48.10	354.35	-0.15	-48.25
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300030945063	0	37	-1.0	-53.52	341.85	2.56	-50.96
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300030945070	1	41	-1.0	-59.34	374.14	2.76	-56.58
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300030945122	0	38	-1.0	-48.83	345.53	1.68	-47.15
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=NC=C1[O-]	REAL300030945134	0	37	-1.0	-53.71	327.12	-0.05	-53.76
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300030945144	0	34	-1.0	-51.80	308.61	-1.61	-53.41
CC1=C([O-])N=C(C(=O)N(C)C(C)CNC(=O)C2=NSNC2=O)S1	REAL300030945195	1	37	-1.0	-53.53	340.40	-0.88	-54.41
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=C([O-])C=CC2=CC=CC=C21	REAL300030945257	1	44	-1.0	-52.56	382.40	3.58	-48.98
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300030945277	1	44	-1.0	-62.26	372.57	4.97	-57.29
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300030945286	1	44	-1.0	-62.85	374.98	4.76	-58.09
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300030945346	1	40	-1.0	-50.96	360.04	1.24	-49.72
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CN=C(C=N[O-])S1	REAL300030945386	0	37	-1.0	-63.70	347.16	-0.87	-64.57
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300030945424	1	37	-1.0	-43.97	343.98	1.89	-42.08
CSC1=NC=C(C(=O)N(C)C(C)CNC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300030945455	1	40	-1.0	-49.94	369.52	-0.39	-50.33
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC(=O)NC([O-])=C1	REAL300030945465	0	38	-1.0	-46.54	344.20	-2.98	-49.52
CCN1[N-]C(C(=O)N(C)C(C)CNC(=O)C2=NSNC2=O)=CC1=O	REAL300030945564	0	41	-1.0	-50.36	358.63	0.91	-49.45
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)CNC(=O)C1=NC=CC=C1[O-]	REAL300030945576	1	44	-1.0	-60.25	387.53	-0.12	-60.37
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC(=O)N(C)[N-]1	REAL300030945590	0	38	-1.0	-49.43	336.43	0.01	-49.42
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300030945604	1	41	-1.0	-57.84	364.42	-0.92	-58.76
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300030945609	0	38	-1.0	-52.12	353.49	-2.14	-54.26
CC1=C(C(=O)N(C)C(C)CNC(=O)C2=NSNC2=O)C(=S)[N-]C(=O)N1	REAL300030945611	1	40	-1.0	-54.27	367.46	-0.78	-55.05
CC1=C(C(=O)N(C)C(C)CNC(=O)C2=NSNC2=O)C(=O)[N-]C(C2CC2)=N1	REAL300030945622	1	46	-1.0	-53.59	398.44	1.15	-52.44
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=C([O-])C=NC2=CC=CC=C21	REAL300030945689	1	43	-1.0	-49.87	377.05	1.69	-48.18
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)CC1=CC(=O)N[N-]1	REAL300030945817	1	38	-1.0	-54.71	337.17	-1.37	-56.08
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=C([O-])C(F)=C1	REAL300030945824	1	38	-1.0	-53.39	335.70	1.23	-52.16
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300030945898	0	38	-1.0	-53.92	341.90	1.28	-52.64
CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300030945904	0	37	-1.0	-55.69	342.99	0.50	-55.19
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CC(CNC(=O)C1=NSNC1=O)N(C)C(=O)CCC(=O)C1=CC=C([O-])C=C1	REAL300030945941	1	46	-1.0	-54.62	399.61	2.86	-51.76
CC(CNC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)N(C)C(=O)C1=NSNC1=O	REAL300030946987	1	39	-1.0	-46.70	350.67	0.62	-46.08
CC1CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300030948201	0	40	-1.0	-67.08	345.38	-2.81	-69.89
CC1CCN(C(=O)C2=NSNC2=O)CC1NC(=O)CN1C(=O)[N-]NC1=O	REAL300030948285	0	42	-1.0	-71.04	359.50	-1.14	-72.18
CC1CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300030948876	0	42	-1.0	-79.58	359.61	3.18	-76.40
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CC1CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=COC(=O)[N-]1	REAL300030949001	1	38	-1.0	-59.13	328.99	-1.72	-60.85
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CCN1[N-]C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CCC2C)=CC1=O	REAL300030949171	0	45	-1.0	-64.74	381.51	1.74	-63.00
CC1CCN(C(=O)C2=NSNC2=O)CC1NC(=O)CC1=CC(=O)N[N-]1	REAL300030949179	1	42	-1.0	-70.38	354.50	-0.11	-70.49
CC1CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=CC(=S)N1[O-]	REAL300030949197	0	42	-1.0	-99.65	365.02	5.38	-94.27
CC1CCN(C(=O)C2=NSNC2=O)CC1NC(=O)CC1SC(=O)[N-]C1=O	REAL300030949206	0	42	-1.0	-58.18	367.61	-1.58	-59.76
CC1CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300030949222	0	41	-1.0	-68.91	351.08	-0.53	-69.44
CC1CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C[N-]N=CC1=O	REAL300030949311	0	40	-1.0	-52.62	341.20	1.24	-51.38
CC1CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(=O)N[N-]1	REAL300030949410	0	39	-1.0	-61.79	333.82	-0.73	-62.52
CC1CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300030949415	0	44	-1.0	-62.62	367.56	0.88	-61.74
CC1CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=CN([O-])C1=O	REAL300030949446	0	42	-1.0	-67.06	357.23	3.33	-63.73
CC1SC(C(=O)NC2CN(C(=O)C3=NSNC3=O)CCC2C)=NC1=O	REAL300030949474	0	41	-1.0	-63.78	360.59	-0.61	-64.39
CC1=C([O-])N=C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CCC2C)S1	REAL300030949474	1	41	-1.0	-63.78	360.59	-0.61	-64.39
CC1CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(=O)C=C(Cl)N1	REAL300030949488	0	41	-1.0	-58.34	363.98	2.56	-55.78
CC1CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300030949488	1	41	-1.0	-58.34	363.98	2.56	-55.78
CC1CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300030949505	0	42	-1.0	-77.49	356.83	3.34	-74.15
CC1CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300030949538	0	42	-1.0	-96.55	353.90	4.33	-92.22
CC1CCN(C(=O)C2=NSNC2=O)CC1NC(=O)CC1=C([O-])N=C(N)S1	REAL300030949661	0	43	-1.0	-76.46	375.16	-1.69	-78.15
CC1CCN(C(=O)C2=NSNC2=O)CC1NC(=O)CC1=NC([O-])=CS1	REAL300030949706	0	41	-1.0	-77.14	360.35	-0.82	-77.96
CCC1=NC=C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CCC2C)C(=O)N1	REAL300030949724	0	46	-1.0	-57.57	382.14	1.62	-55.95
CCC1=NC=C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CCC2C)C(=O)[N-]1	REAL300030949724	1	46	-1.0	-57.57	382.14	1.62	-55.95
CC1=CC(=O)C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CCC2C)=N[N-]1	REAL300030949935	0	43	-1.0	-66.87	362.58	3.05	-63.82
CC1CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NNC(=O)[N-]1	REAL300030949950	0	38	-1.0	-65.64	328.31	-2.19	-67.83
CC1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC1NC(=O)C1=NSNC1=O	REAL300030951932	1	42	-1.0	-76.56	372.99	3.01	-73.55
CC1CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)CC1NC(=O)C1=NSNC1=O	REAL300030951957	1	43	-1.0	-55.63	376.98	2.52	-53.11
CCC1=NC=C(C(=O)N2CCC(C)C(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300030952040	1	46	-1.0	-59.49	384.70	0.97	-58.52
CC1CCN(C(=O)C2=COC(=O)[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300030952058	1	38	-1.0	-56.72	331.19	-0.69	-57.41
CC1CCN(C(=O)C[N-]C(=O)C(F)(F)F)CC1NC(=O)C1=NSNC1=O	REAL300030952125	0	41	-1.0	-54.21	366.32	-0.98	-55.19
CC1CCN(C(=O)CC2=C([O-])N=C(N)S2)CC1NC(=O)C1=NSNC1=O	REAL300030952126	0	43	-1.0	-85.73	380.69	-1.96	-87.69
CC1CCN(C(=O)C2=C(F)C=C([O-])C=C2F)CC1NC(=O)C1=NSNC1=O	REAL300030952135	0	42	-1.0	-52.16	369.89	2.60	-49.56
CC1CCN(C(=O)C2=CC=C([O-])C=C2F)CC1NC(=O)C1=NSNC1=O	REAL300030952150	1	42	-1.0	-65.98	362.92	2.25	-63.73
CC1CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1NC(=O)C1=NSNC1=O	REAL300030952156	0	41	-1.0	-59.54	358.55	1.64	-57.90
CC1CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)CC1NC(=O)C1=NSNC1=O	REAL300030952163	1	43	-1.0	-57.73	376.88	2.60	-55.13
CC1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])CC1NC(=O)C1=NSNC1=O	REAL300030952166	0	41	-1.0	-72.06	368.09	1.04	-71.02
CC1CCN(C(=O)CN2N=CC(=O)[N-]C2=O)CC1NC(=O)C1=NSNC1=O	REAL300030952182	0	43	-1.0	-72.65	375.37	-2.58	-75.23
CC1=CC=C([O-])C(C(=O)N2CCC(C)C(NC(=O)C3=NSNC3=O)C2)=N1	REAL300030952242	1	44	-1.0	-69.36	366.88	3.62	-65.74
CC1CCN(C(=O)C2=C[N-]N=CC2=O)CC1NC(=O)C1=NSNC1=O	REAL300030952260	0	40	-1.0	-67.43	349.79	0.72	-66.71
CC1CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1NC(=O)C1=NSNC1=O	REAL300030952269	0	42	-1.0	-69.61	359.37	2.75	-66.86
CC1CCN(C(=O)C2=CC=CC([O-])=C2F)CC1NC(=O)C1=NSNC1=O	REAL300030952355	1	42	-1.0	-66.74	359.64	2.43	-64.31
CC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300030952453	0	39	-1.0	-60.60	335.89	-0.79	-61.39
CC1CCN(C(=O)C(=O)[PH](C)(C)[O-])CC1NC(=O)C1=NSNC1=O	REAL300030952459	0	44	-1.0	-54.23	367.96	0.90	-53.33
CC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1NC(=O)C1=NSNC1=O	REAL300030952546	0	42	-1.0	-74.56	366.77	2.86	-71.70
CC1CCN(C(=O)C2=NNC(=O)[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300030952570	0	38	-1.0	-65.04	330.99	-2.25	-67.29
CC1CCN(C(=O)C2=C(O)C=CC=C2Cl)CC1NC(=O)C1=NSNC1=O	REAL300030952573	0	42	-1.0	-68.33	376.03	2.84	-65.49
CC1CCN(C(=O)C2=C([O-])C=CC=C2Cl)CC1NC(=O)C1=NSNC1=O	REAL300030952573	1	42	-1.0	-68.33	376.03	2.84	-65.49
CC1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1NC(=O)C1=NSNC1=O	REAL300030952577	0	42	-1.0	-75.86	358.91	2.84	-73.02
CC1CCN(C(=O)C2=C(F)C=CC(O)=C2F)CC1NC(=O)C1=NSNC1=O	REAL300030952606	0	42	-1.0	-65.09	372.86	2.41	-62.68
CC1CCN(C(=O)C2=C(F)C=CC([O-])=C2F)CC1NC(=O)C1=NSNC1=O	REAL300030952606	1	42	-1.0	-65.09	372.86	2.41	-62.68
CC1CCN(C(=O)C2=CC(F)=CC=C2O)CC1NC(=O)C1=NSNC1=O	REAL300030952741	0	42	-1.0	-75.68	362.66	2.58	-73.10
CC1CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1NC(=O)C1=NSNC1=O	REAL300030952741	1	42	-1.0	-75.68	362.66	2.58	-73.10
CC1=CC=NC(C(=O)N2CCC(C)C(NC(=O)C3=NSNC3=O)C2)=C1O	REAL300030952804	0	44	-1.0	-68.13	365.60	3.73	-64.40
CC1=CC=NC(C(=O)N2CCC(C)C(NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300030952804	1	44	-1.0	-68.13	365.60	3.73	-64.40
CC1CCN(C(=O)C2=CN=CC(O)=C2)CC1NC(=O)C1=NSNC1=O	REAL300030952908	0	41	-1.0	-58.81	351.64	0.41	-58.40
CC1CCN(C(=O)C2=CN=CC([O-])=C2)CC1NC(=O)C1=NSNC1=O	REAL300030952908	1	41	-1.0	-58.81	351.64	0.41	-58.40
CC1CCN(C(=O)C2=CC=CC(=S)N2[O-])CC1NC(=O)C1=NSNC1=O	REAL300030952918	0	42	-1.0	-95.42	377.21	3.26	-92.16
CC1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC1NC(=O)C1=NSNC1=O	REAL300030953025	0	41	-1.0	-54.81	367.21	1.68	-53.13
CC1CCN(C(=O)C2=CC=C([O-])C=C2Cl)CC1NC(=O)C1=NSNC1=O	REAL300030953063	1	42	-1.0	-63.74	371.60	2.68	-61.06
CC1CCN(C(=O)CC2=NC([O-])=CS2)CC1NC(=O)C1=NSNC1=O	REAL300030953074	0	41	-1.0	-81.60	365.88	-1.09	-82.69
CC1CCN(C(=O)C2=C([O-])C=CC=C2F)CC1NC(=O)C1=NSNC1=O	REAL300030953089	0	42	-1.0	-74.96	366.55	2.45	-72.51
CC1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)CC1NC(=O)C1=NSNC1=O	REAL300030953091	0	44	-1.0	-71.74	381.14	-0.46	-72.20
CC1CCN(C(=O)C2=CC=C(F)C=C2[O-])CC1NC(=O)C1=NSNC1=O	REAL300030953092	0	42	-1.0	-79.80	362.67	2.57	-77.23
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC(C)C(NC(=O)C2=NSNC2=O)C1	REAL300030953122	0	45	-1.0	-72.43	385.94	3.00	-69.43
CC1CCN(C(=O)CC2SC(=O)[N-]C2=O)CC1NC(=O)C1=NSNC1=O	REAL300030953184	0	42	-1.0	-59.63	373.59	-1.83	-61.46
CC1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)CC1NC(=O)C1=NSNC1=O	REAL300030953209	0	42	-1.0	-68.19	369.01	2.31	-65.88
CC1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])CC1NC(=O)C1=NSNC1=O	REAL300030953215	0	42	-1.0	-64.30	369.17	3.24	-61.06
CC1=CC(=O)C(C(=O)N2CCC(C)C(NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300030953243	0	43	-1.0	-57.92	362.07	3.11	-54.81
CC1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1NC(=O)C1=NSNC1=O	REAL300030953268	0	42	-1.0	-92.24	366.10	2.64	-89.60
CC1CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)CC1NC(=O)C1=NSNC1=O	REAL300030953296	0	42	-1.0	-63.12	375.42	0.56	-62.56
CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300030953342	0	41	-1.0	-60.18	350.43	-0.42	-60.60
CC1CCN(C(=O)C2=C(F)C=CC(O)=C2O)CC1NC(=O)C1=NSNC1=O	REAL300030953391	0	43	-1.0	-71.21	377.23	0.50	-70.71
CC1CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC1NC(=O)C1=NSNC1=O	REAL300030953391	1	43	-1.0	-71.21	377.23	0.50	-70.71
CC1CCN(C(=O)C2=CC(C#N)=CC=C2[O-])CC1NC(=O)C1=NSNC1=O	REAL300030953400	0	43	-1.0	-72.05	377.10	2.94	-69.11
CC1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1NC(=O)C1=NSNC1=O	REAL300030953483	0	42	-1.0	-67.09	371.20	0.24	-66.85
CC1CCN(C(=O)C2=CC=C(F)C(O)=C2)CC1NC(=O)C1=NSNC1=O	REAL300030953534	0	42	-1.0	-67.01	362.39	2.20	-64.81
CC1CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1NC(=O)C1=NSNC1=O	REAL300030953534	1	42	-1.0	-67.01	362.39	2.20	-64.81
CC1CCN(C(=O)C2=CC=C(Cl)C=C2O)CC1NC(=O)C1=NSNC1=O	REAL300030953552	0	42	-1.0	-79.53	372.99	3.02	-76.51
CC1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])CC1NC(=O)C1=NSNC1=O	REAL300030953552	1	42	-1.0	-79.53	372.99	3.02	-76.51
CC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1NC(=O)C1=NSNC1=O	REAL300030953619	0	40	-1.0	-57.56	349.74	-3.28	-60.84
CC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300030953619	1	40	-1.0	-48.12	346.96	-2.26	-50.38
CC1CCN(C(=O)C2=CN=C(N)[N-]C2=O)CC1NC(=O)C1=NSNC1=O	REAL300030953673	1	42	-1.0	-58.82	356.77	-0.71	-59.53
CC1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)CC1NC(=O)C1=NSNC1=O	REAL300030953706	0	42	-1.0	-79.39	368.96	2.30	-77.09
COC1=NC(C(=O)N2CCC(C)C(NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300030953748	0	44	-1.0	-57.48	375.78	-2.22	-59.70
CC1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])CC1NC(=O)C1=NSNC1=O	REAL300030953757	0	41	-1.0	-64.66	361.48	3.55	-61.11
CC1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)CC1NC(=O)C1=NSNC1=O	REAL300030953795	0	42	-1.0	-63.00	372.19	2.69	-60.31
CC1CCN(C(=O)C2=CC=NC=C2[O-])CC1NC(=O)C1=NSNC1=O	REAL300030953804	0	41	-1.0	-79.40	351.34	0.57	-78.83
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=NSNC1=O	REAL300030953810	0	38	-1.0	-57.14	328.08	-0.52	-57.66
CC1=C([O-])N=C(C(=O)N2CCC(C)C(NC(=O)C3=NSNC3=O)C2)S1	REAL300030953832	1	41	-1.0	-61.20	363.35	0.00	-61.20
CC1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC1NC(=O)C1=NSNC1=O	REAL300030953924	1	44	-1.0	-62.70	382.73	2.18	-60.52
CC1CCN(C(=O)C2=CN=C(C=N[O-])S2)CC1NC(=O)C1=NSNC1=O	REAL300030953943	0	41	-1.0	-72.90	372.47	0.26	-72.64
CC1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300030953964	1	41	-1.0	-49.76	363.35	2.89	-46.87
CC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1NC(=O)C1=NSNC1=O	REAL300030953984	0	42	-1.0	-58.45	366.49	-2.03	-60.48
CCN1[N-]C(C(=O)N2CCC(C)C(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300030954041	0	45	-1.0	-56.59	377.42	2.03	-54.56
CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300030954060	0	42	-1.0	-63.55	358.62	0.90	-62.65
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300030954070	0	42	-1.0	-58.23	373.18	-0.95	-59.18
CC1CCN(C(=O)CC2=CC(=O)N[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300030954197	1	42	-1.0	-72.90	360.03	-0.38	-73.28
CC1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1NC(=O)C1=NSNC1=O	REAL300030954202	1	42	-1.0	-70.25	362.37	2.25	-68.00
CC1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC1NC(=O)C1=NSNC1=O	REAL300030954248	0	42	-1.0	-64.42	369.06	2.34	-62.08
CC1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])CC1NC(=O)C1=NSNC1=O	REAL300030954253	0	41	-1.0	-77.35	367.41	1.09	-76.26
CC1=C(CC(=O)N2CCC(C)C(NC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300030954268	0	48	-1.0	-72.90	402.89	2.04	-70.86
CC1=CN=C(C(=O)N2CCC(C)C(NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300030954304	1	44	-1.0	-68.38	369.28	3.12	-65.26
CC1CCN(C(=O)C2=CC([O-])=CS2)CC1NC(=O)C1=NSNC1=O	REAL300030954325	0	39	-1.0	-72.55	346.47	1.09	-71.46
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CCCCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=N[N-]C(C)=CC1=O	REAL300030967677	0	45	-1.0	-50.51	388.71	1.90	-48.61
CCCCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=NC(=O)N[N-]1	REAL300030967690	0	40	-1.0	-47.87	354.60	-3.06	-50.93
CCCCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CN=C(C=N[O-])S1	REAL300030967797	0	43	-1.0	-61.76	395.37	-0.17	-61.93
CCCCC(CNC(=O)C1=NC=CC=C1[O-])NC(=O)C1=NSNC1=O	REAL300030968065	1	43	-1.0	-58.80	372.04	1.59	-57.21
CCCCC(CNC(=O)C1=NNC(=O)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300030968186	0	42	-1.0	-52.32	371.55	-3.92	-56.24
CCCCC(CNC(=O)CN1C(=O)[N-]NC1=O)NC(=O)C1=NSNC1=O	REAL300030968341	0	44	-1.0	-53.44	385.67	-2.27	-55.71
CCCCC(CNC(=O)C1=CC(Cl)=CC=C1[O-])NC(=O)C1=NSNC1=O	REAL300030969605	1	44	-1.0	-55.43	391.54	3.81	-51.62
CCCCC(CNC(=O)C1=CC([O-])=CC(C#N)=C1)NC(=O)C1=NSNC1=O	REAL300030969629	1	45	-1.0	-46.92	397.83	2.03	-44.89
CCCCC(CNC(=O)C1=CN=C(CC)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300030969709	1	48	-1.0	-47.92	405.13	0.67	-47.25
CCCCC(CNC(=O)C1=COC(=O)[N-]1)NC(=O)C1=NSNC1=O	REAL300030969727	1	40	-1.0	-49.16	355.16	-2.85	-52.01
CCCCC(CNC(=O)C[N-]C(=O)C(F)(F)F)NC(=O)C1=NSNC1=O	REAL300030969791	0	43	-1.0	-47.28	390.08	-1.97	-49.25
CCCCC(CNC(=O)C1=CC=C([O-])C=C1F)NC(=O)C1=NSNC1=O	REAL300030969812	1	44	-1.0	-51.86	381.50	1.75	-50.11
CCCCC(CNC(=O)C1=CC([O-])=CC(=O)O1)NC(=O)C1=NSNC1=O	REAL300030969818	0	43	-1.0	-50.19	380.31	0.90	-49.29
CCCCC(CNC(=O)C1=CC=C(C#N)C([O-])=C1)NC(=O)C1=NSNC1=O	REAL300030969824	1	45	-1.0	-49.68	397.13	2.10	-47.58
CCCCC(CNC(=O)C1=CC(Cl)=NC=C1[O-])NC(=O)C1=NSNC1=O	REAL300030969827	0	43	-1.0	-51.97	386.96	1.90	-50.07
CCCCC(CNC(=O)CN1N=CC(=O)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300030969842	0	45	-1.0	-56.25	396.00	-3.37	-59.62
CCCCC(CNC(=O)C1=C[N-]N=CC1=O)NC(=O)C1=NSNC1=O	REAL300030969919	0	42	-1.0	-42.12	364.21	0.31	-41.81
CCCCC(CNC(=O)C1=CC=CC(F)=C1[O-])NC(=O)C1=NSNC1=O	REAL300030969928	0	44	-1.0	-63.27	381.03	3.36	-59.91
CCCCC(CNC(=O)C1=CC=CC([O-])=C1F)NC(=O)C1=NSNC1=O	REAL300030970013	1	44	-1.0	-62.11	381.36	1.73	-60.38
CCCCC(CNC(=O)C1=CC(=O)N[N-]1)NC(=O)C1=NSNC1=O	REAL300030970109	0	41	-1.0	-48.31	359.99	-1.87	-50.18
CCCCC(CNC(=O)C(=O)[PH](C)(C)[O-])NC(=O)C1=NSNC1=O	REAL300030970115	0	46	-1.0	-47.59	394.16	-0.36	-47.95
CCCCC(CNC(=O)C1=CC(=O)N([O-])C=C1)NC(=O)C1=NSNC1=O	REAL300030970198	0	44	-1.0	-65.19	383.00	2.20	-62.99
CCCCC(CNC(=O)C1=NC(=O)N[N-]1)NC(=O)C1=NSNC1=O	REAL300030970221	0	40	-1.0	-48.49	354.58	-3.15	-51.64
CCCCC(CNC(=O)C1=C(O)C=CC=C1Cl)NC(=O)C1=NSNC1=O	REAL300030970223	0	44	-1.0	-51.17	396.21	2.01	-49.16
CCCCC(CNC(=O)C1=C([O-])C=CC=C1Cl)NC(=O)C1=NSNC1=O	REAL300030970223	1	44	-1.0	-51.17	396.21	2.01	-49.16
CCCCC(CNC(=O)C1=CC=CN([O-])C1=O)NC(=O)C1=NSNC1=O	REAL300030970227	0	44	-1.0	-60.65	380.23	2.38	-58.27
CCCCC(CNC(=O)C1=CC(F)=CC=C1O)NC(=O)C1=NSNC1=O	REAL300030970383	0	44	-1.0	-55.07	381.22	3.35	-51.72
CCCCC(CNC(=O)C1=CC(F)=CC=C1[O-])NC(=O)C1=NSNC1=O	REAL300030970383	1	44	-1.0	-55.07	381.22	3.35	-51.72
CCCCC(CNC(=O)C1=NC=CC(C)=C1O)NC(=O)C1=NSNC1=O	REAL300030970445	0	46	-1.0	-58.57	392.37	2.28	-56.29
CCCCC(CNC(=O)C1=NC=CC(C)=C1[O-])NC(=O)C1=NSNC1=O	REAL300030970445	1	46	-1.0	-58.57	392.37	2.28	-56.29
CCCCC(CNC(=O)C1=CN=CC(O)=C1)NC(=O)C1=NSNC1=O	REAL300030970545	0	43	-1.0	-53.68	372.00	-0.13	-53.81
CCCCC(CNC(=O)C1=CN=CC([O-])=C1)NC(=O)C1=NSNC1=O	REAL300030970545	1	43	-1.0	-53.68	372.00	-0.13	-53.81
CCCCC(CNC(=O)C1=CC=CC(=S)N1[O-])NC(=O)C1=NSNC1=O	REAL300030970554	0	44	-1.0	-79.87	391.18	4.26	-75.61
CCCCC(CNC(=O)C1=CC=C([O-])C(Cl)=N1)NC(=O)C1=NSNC1=O	REAL300030970655	0	43	-1.0	-46.18	390.35	0.44	-45.74
CCCCC(CNC(=O)C1=CC=C(O)C=C1Cl)NC(=O)C1=NSNC1=O	REAL300030970690	0	44	-1.0	-50.79	389.46	2.19	-48.60
CCCCC(CNC(=O)C1=CC=C([O-])C=C1Cl)NC(=O)C1=NSNC1=O	REAL300030970690	1	44	-1.0	-50.79	389.46	2.19	-48.60
CCCCC(CNC(=O)CC1=NC([O-])=CS1)NC(=O)C1=NSNC1=O	REAL300030970701	0	43	-1.0	-66.27	386.50	-1.93	-68.20
CCCCC(CNC(=O)C1=C(O)C=CC=C1F)NC(=O)C1=NSNC1=O	REAL300030970716	0	44	-1.0	-51.97	386.71	1.63	-50.34
CCCCC(CNC(=O)C1=C([O-])C=CC=C1F)NC(=O)C1=NSNC1=O	REAL300030970716	1	44	-1.0	-51.97	386.71	1.63	-50.34
CCCCC(CNC(=O)CN1[N-]C(=O)C=CC1=O)NC(=O)C1=NSNC1=O	REAL300030970717	0	46	-1.0	-53.58	401.77	-1.29	-54.87
CCCCC(CNC(=O)C1=CC=CC(Cl)=C1[O-])NC(=O)C1=NSNC1=O	REAL300030970836	0	44	-1.0	-58.18	390.84	3.82	-54.36
CCCCC(CNC(=O)C1=N[N-]C(C)=CC1=O)NC(=O)C1=NSNC1=O	REAL300030970864	0	45	-1.0	-50.78	388.71	1.93	-48.85
CCCCC(CNC(=O)C1=CC=CC(=O)N1[O-])NC(=O)C1=NSNC1=O	REAL300030970888	0	44	-1.0	-76.39	380.07	3.21	-73.18
CCCCC(CNC(=O)C1=CC=C(C#N)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300030970912	0	44	-1.0	-43.65	389.99	0.17	-43.48
CCCCC(CNC(=O)C1=NN(C)C(=O)[N-]1)NC(=O)C1=NSNC1=O	REAL300030970954	0	43	-1.0	-54.27	377.31	-1.64	-55.91
CCCCC(CNC(=O)C1=C(F)C=CC(O)=C1[O-])NC(=O)C1=NSNC1=O	REAL300030971000	1	45	-1.0	-57.70	397.45	-0.30	-58.00
CCCCC(CNC(=O)C1=CC=C(C#N)C=C1[O-])NC(=O)C1=NSNC1=O	REAL300030971001	0	45	-1.0	-55.54	395.60	3.69	-51.85
CCCCC(CNC(=O)C1=CC(C#N)=CC=C1[O-])NC(=O)C1=NSNC1=O	REAL300030971009	0	45	-1.0	-52.45	395.65	3.71	-48.74
CCCCC(CNC(=O)C1=CN([O-])C(=O)NC1=O)NC(=O)C1=NSNC1=O	REAL300030971089	0	44	-1.0	-50.11	385.47	-0.15	-50.26
CCCCC(CNC(=O)C1=CC=C(F)C([O-])=C1)NC(=O)C1=NSNC1=O	REAL300030971140	1	44	-1.0	-53.16	383.20	1.71	-51.45
CCCCC(C[N-]C(=O)C(F)(F)C(F)(F)F)NC(=O)C1=NSNC1=O	REAL300030971150	1	39	-1.0	-42.69	361.68	0.40	-42.29
CCCCC(CNC(=O)C1=CC=C(Cl)C=C1[O-])NC(=O)C1=NSNC1=O	REAL300030971158	1	44	-1.0	-57.51	391.53	3.81	-53.70
CCCCC(CNC(=O)C1=NC(=O)[N-]C(=O)N1)NC(=O)C1=NSNC1=O	REAL300030971221	0	42	-1.0	-45.44	373.76	-4.14	-49.58
CCCCC(CNC(=O)C1=NC(=O)NC(=O)[N-]1)NC(=O)C1=NSNC1=O	REAL300030971221	1	42	-1.0	-45.44	373.76	-4.14	-49.58
CCCCC(CNC(=O)C1=CN=C(N)NC1=O)NC(=O)C1=NSNC1=O	REAL300030971275	0	44	-1.0	-48.48	378.44	-0.99	-49.47
CCCCC(CNC(=O)C1=CN=C(N)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300030971275	1	44	-1.0	-48.48	378.44	-0.99	-49.47
CCCCC(CNC(=O)C1=NC=CC(Cl)=C1[O-])NC(=O)C1=NSNC1=O	REAL300030971356	0	43	-1.0	-55.13	388.24	2.10	-53.03
CCCCC(CNC(=O)C1=CC=NC=C1O)NC(=O)C1=NSNC1=O	REAL300030971402	0	43	-1.0	-57.67	370.10	1.49	-56.18
CCCCC(CNC(=O)C1=CC=NC=C1[O-])NC(=O)C1=NSNC1=O	REAL300030971402	1	43	-1.0	-57.67	370.10	1.49	-56.18
CCCCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NSNC1=O	REAL300030971408	0	40	-1.0	-52.80	354.73	-1.38	-54.18
CCCCC(CNC(=O)C1=NC(=O)C(C)S1)NC(=O)C1=NSNC1=O	REAL300030971430	0	43	-1.0	-55.42	386.53	-1.72	-57.14
CCCCC(CNC(=O)C1=NC([O-])=C(C)S1)NC(=O)C1=NSNC1=O	REAL300030971430	1	43	-1.0	-55.42	386.53	-1.72	-57.14
CCCCC(CNC(=O)C(=O)C1=CC=C(O)C=C1)NC(=O)C1=NSNC1=O	REAL300030971518	0	46	-1.0	-52.27	397.34	1.52	-50.75
CCCCC(CNC(=O)C(=O)C1=CC=C([O-])C=C1)NC(=O)C1=NSNC1=O	REAL300030971518	1	46	-1.0	-52.27	397.34	1.52	-50.75
CCCCC(CNC(=O)C1=CN=C(C=N[O-])S1)NC(=O)C1=NSNC1=O	REAL300030971535	0	43	-1.0	-61.65	395.36	-0.27	-61.92
CCCCC(CNC(=O)C1=CC(=O)C=C(Cl)N1)NC(=O)C1=NSNC1=O	REAL300030971554	0	43	-1.0	-45.19	390.14	1.43	-43.76
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CCCCC(CNC(=O)C1=CC(=O)NC([O-])=C1)NC(=O)C1=NSNC1=O	REAL300030971574	0	44	-1.0	-47.63	383.09	-2.70	-50.33
CCCCC(CNC(=O)C1=CC(=O)N(CC)[N-]1)NC(=O)C1=NSNC1=O	REAL300030971630	0	47	-1.0	-51.50	404.54	0.78	-50.72
CCCCC(CNC(=O)C1=CC(=O)N(C)[N-]1)NC(=O)C1=NSNC1=O	REAL300030971647	0	44	-1.0	-50.78	382.81	-0.16	-50.94
CCCCC(CNC(=O)CC1=CC(=O)NN1)NC(=O)C1=NSNC1=O	REAL300030971777	0	44	-1.0	-56.63	380.66	-1.21	-57.84
CCCCC(CNC(=O)CC1=CC(=O)N[N-]1)NC(=O)C1=NSNC1=O	REAL300030971777	1	44	-1.0	-56.63	380.66	-1.21	-57.84
CCCCC(CNC(=O)C1=CC=C(O)C(F)=C1)NC(=O)C1=NSNC1=O	REAL300030971782	0	44	-1.0	-52.83	383.16	1.74	-51.09
CCCCC(CNC(=O)C1=CC=C([O-])C(F)=C1)NC(=O)C1=NSNC1=O	REAL300030971782	1	44	-1.0	-52.83	383.16	1.74	-51.09
CCCCC(CNC(=O)C1=CC=NC(Cl)=C1[O-])NC(=O)C1=NSNC1=O	REAL300030971829	0	43	-1.0	-55.98	386.28	1.93	-54.05
CCCCC(CNC(=O)C1=NC=C(C)C=C1O)NC(=O)C1=NSNC1=O	REAL300030971879	0	46	-1.0	-60.18	393.49	2.22	-57.96
CCCCC(CNC(=O)C1=NC=C(C)C=C1[O-])NC(=O)C1=NSNC1=O	REAL300030971879	1	46	-1.0	-60.18	393.49	2.22	-57.96
CCCCC(CNC(=O)C1=CC([O-])=CS1)NC(=O)C1=NSNC1=O	REAL300030971898	0	41	-1.0	-57.38	369.22	0.59	-56.79
CCCCC(CNC(=O)C1=CN([O-])C(=O)C=C1)NC(=O)C1=NSNC1=O	REAL300030971914	0	44	-1.0	-64.55	382.63	2.22	-62.33
CCCCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300030972057	0	44	-1.0	-50.63	382.81	-0.05	-50.68
CCCCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300030972208	0	42	-1.0	-51.44	373.12	-4.84	-56.28
CCCCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300030972208	1	42	-1.0	-45.03	373.77	-4.07	-49.10
CCCCC(CNC(=O)C1=NSNC1=O)NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300030972344	0	46	-1.0	-54.46	401.80	-1.19	-55.65
CCCCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300030972351	0	40	-1.0	-52.72	354.74	-1.28	-54.00
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CCN1[N-]C(C(=O)N2CCCCCC2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300030976339	0	48	-1.0	-57.15	390.34	3.39	-53.76
CN1[N-]C(C(=O)N2CCCCCC2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300030976351	0	45	-1.0	-56.32	368.53	2.46	-53.86
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CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300030985288	1	38	-1.0	-54.35	339.16	-0.74	-55.09
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CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300030985524	1	39	-1.0	-56.38	361.34	1.75	-54.63
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1	REAL300030985527	0	42	-1.0	-61.40	379.88	0.91	-60.49
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300030985539	0	38	-1.0	-74.59	357.90	-2.08	-76.67
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300030985561	0	39	-1.0	-63.85	357.95	1.37	-62.48
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300030985564	0	41	-1.0	-60.57	373.17	-1.43	-62.00
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300030985566	0	39	-1.0	-65.40	352.56	2.68	-62.72
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CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300030985736	0	39	-1.0	-59.69	358.83	1.35	-58.34
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CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300030985745	0	39	-1.0	-65.78	362.16	3.16	-62.62
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CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300030985863	0	39	-1.0	-59.76	367.59	-0.47	-60.23
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C1	REAL300030985864	0	41	-1.0	-59.05	378.28	-5.83	-64.88
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CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1	REAL300030985893	0	41	-1.0	-51.38	374.66	2.89	-48.49
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300030985937	0	38	-1.0	-61.03	347.44	-1.67	-62.70
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CN1N=C(C(=O)N2CCC3(C2)CN(C(=O)C2=NSNC2=O)CCO3)[N-]C1=O	REAL300030997294	0	43	-1.0	-64.31	363.10	-0.97	-65.28
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O=C(C1=CC(=O)N[N-]1)N1CCC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300030997357	0	41	-1.0	-50.28	344.31	-1.07	-51.35
O=C(C1=NC(=O)N[N-]1)N1CCC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300030997521	0	40	-1.0	-55.32	340.39	-1.98	-57.30
O=C(C1=NSNC1=O)N1CCC2(C1)CN(C(=O)C1=NC=CC=C1[O-])CCO2	REAL300030997812	1	43	-1.0	-61.73	356.33	2.66	-59.07
CC1=CC(=O)C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2(C)C)=N[N-]1	REAL300031001996	0	43	-1.0	-49.05	367.55	3.02	-46.03
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NNC(=O)[N-]1	REAL300031002011	0	38	-1.0	-49.83	334.28	-2.63	-52.46
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CN=C(C=N[O-])S1	REAL300031002122	0	41	-1.0	-63.45	375.55	0.55	-62.90
COC1=NC(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2(C)C)=CC(=O)[N-]1	REAL300031002135	0	44	-1.0	-51.67	380.51	-3.16	-54.83
CC1(C)CN(C(=O)C2=NC=CC=C2[O-])CC1NC(=O)C1=NSNC1=O	REAL300031002391	1	41	-1.0	-66.61	350.67	2.85	-63.76
CC1(C)CN(C(=O)C2=NNC(=O)[N-]C2=O)CC1NC(=O)C1=NSNC1=O	REAL300031002514	0	40	-1.0	-58.95	350.25	-2.90	-61.85
CC1(C)CN(C(=O)CN2C(=O)[N-]NC2=O)CC1NC(=O)C1=NSNC1=O	REAL300031002674	0	42	-1.0	-60.55	366.77	-1.55	-62.10
CC1(C)CN(C(=O)C2=CC(Cl)=CC=C2[O-])CC1NC(=O)C1=NSNC1=O	REAL300031003993	1	42	-1.0	-63.33	368.61	4.18	-59.15
CC1(C)CN(C(=O)C2=CC([O-])=CC(C#N)=C2)CC1NC(=O)C1=NSNC1=O	REAL300031004018	1	43	-1.0	-56.80	374.92	2.42	-54.38
CCC1=NC=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)C(C)(C)C2)C(=O)[N-]1	REAL300031004101	1	46	-1.0	-66.47	394.18	0.70	-65.77
CC1(C)CN(C(=O)C2=COC(=O)[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300031004119	1	38	-1.0	-59.17	335.57	-1.31	-60.48
CC1(C)CN(C(=O)C[N-]C(=O)C(F)(F)F)CC1NC(=O)C1=NSNC1=O	REAL300031004186	0	41	-1.0	-53.56	373.79	-1.34	-54.90
CC1(C)CN(C(=O)CC2=C([O-])N=C(N)S2)CC1NC(=O)C1=NSNC1=O	REAL300031004187	0	43	-1.0	-72.15	382.43	-2.07	-74.22
CC1(C)CN(C(=O)C2=C(F)C=C([O-])C=C2F)CC1NC(=O)C1=NSNC1=O	REAL300031004196	0	42	-1.0	-53.11	375.28	2.19	-50.92
CC1(C)CN(C(=O)C2=CC=C([O-])C=C2F)CC1NC(=O)C1=NSNC1=O	REAL300031004211	1	42	-1.0	-57.21	364.54	2.02	-55.19
CC1(C)CN(C(=O)C2=CC([O-])=CC(=O)O2)CC1NC(=O)C1=NSNC1=O	REAL300031004217	0	41	-1.0	-57.73	359.75	1.19	-56.54
CC1(C)CN(C(=O)C2=CC=C(C#N)C([O-])=C2)CC1NC(=O)C1=NSNC1=O	REAL300031004224	1	43	-1.0	-60.63	375.34	2.46	-58.17
CC1(C)CN(C(=O)C2=CC(Cl)=NC=C2[O-])CC1NC(=O)C1=NSNC1=O	REAL300031004227	0	41	-1.0	-57.62	369.65	1.41	-56.21
CC1(C)CN(C(=O)CN2N=CC(=O)[N-]C2=O)CC1NC(=O)C1=NSNC1=O	REAL300031004243	0	43	-1.0	-62.69	377.11	-2.66	-65.35
CC1=CC=C([O-])C(C(=O)N2CC(NC(=O)C3=NSNC3=O)C(C)(C)C2)=N1	REAL300031004303	1	44	-1.0	-66.32	373.61	3.17	-63.15
CC1(C)CN(C(=O)C2=C[N-]N=CC2=O)CC1NC(=O)C1=NSNC1=O	REAL300031004321	0	40	-1.0	-57.29	353.14	0.39	-56.90
CC1(C)CN(C(=O)C2=CC=CC(F)=C2[O-])CC1NC(=O)C1=NSNC1=O	REAL300031004330	0	42	-1.0	-67.26	363.46	2.70	-64.56
CC1(C)CN(C(=O)C2=CC=CC([O-])=C2F)CC1NC(=O)C1=NSNC1=O	REAL300031004416	1	42	-1.0	-64.53	363.71	1.81	-62.72
CC1(C)CN(C(=O)C2=CC(=O)N[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300031004514	0	39	-1.0	-55.77	340.42	-1.08	-56.85
CC1(C)CN(C(=O)C(=O)[PH](C)(C)[O-])CC1NC(=O)C1=NSNC1=O	REAL300031004520	0	44	-1.0	-53.59	372.21	0.39	-53.20
CC1(C)CN(C(=O)C2=CC(=O)N([O-])C=C2)CC1NC(=O)C1=NSNC1=O	REAL300031004607	0	42	-1.0	-70.42	361.65	2.59	-67.83
CC1(C)CN(C(=O)C2=NNC(=O)[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300031004631	0	38	-1.0	-59.34	334.41	-2.73	-62.07
CC1(C)CN(C(=O)C2=C(O)C=CC=C2Cl)CC1NC(=O)C1=NSNC1=O	REAL300031004634	0	42	-1.0	-62.32	379.88	2.64	-59.68
CC1(C)CN(C(=O)C2=C([O-])C=CC=C2Cl)CC1NC(=O)C1=NSNC1=O	REAL300031004634	1	42	-1.0	-62.32	379.88	2.64	-59.68
CC1(C)CN(C(=O)C2=CC=CN([O-])C2=O)CC1NC(=O)C1=NSNC1=O	REAL300031004638	0	42	-1.0	-83.06	369.36	2.50	-80.56
CC1(C)CN(C(=O)C2=C(F)C=CC(O)=C2F)CC1NC(=O)C1=NSNC1=O	REAL300031004667	0	42	-1.0	-63.43	376.07	2.06	-61.37
CC1(C)CN(C(=O)C2=C(F)C=CC([O-])=C2F)CC1NC(=O)C1=NSNC1=O	REAL300031004667	1	42	-1.0	-63.43	376.07	2.06	-61.37
CC1(C)CN(C(=O)C2=CC(F)=CC=C2O)CC1NC(=O)C1=NSNC1=O	REAL300031004802	0	42	-1.0	-63.22	358.30	3.72	-59.50
CC1(C)CN(C(=O)C2=CC(F)=CC=C2[O-])CC1NC(=O)C1=NSNC1=O	REAL300031004802	1	42	-1.0	-63.22	358.30	3.72	-59.50
CC1=CC=NC(C(=O)N2CC(NC(=O)C3=NSNC3=O)C(C)(C)C2)=C1O	REAL300031004865	0	44	-1.0	-65.55	372.31	3.31	-62.24
CC1=CC=NC(C(=O)N2CC(NC(=O)C3=NSNC3=O)C(C)(C)C2)=C1[O-]	REAL300031004865	1	44	-1.0	-65.55	372.31	3.31	-62.24
CC1(C)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC1NC(=O)C1=NSNC1=O	REAL300031005985	1	44	-1.0	-55.43	376.20	2.09	-53.34
CC1(C)CN(C(=O)C2=CN=C(C=N[O-])S2)CC1NC(=O)C1=NSNC1=O	REAL300031006004	0	41	-1.0	-67.88	372.73	0.17	-67.71
CC1(C)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300031006025	1	41	-1.0	-53.10	368.65	2.69	-50.41
CC1(C)CN(C(=O)C2=CC(=O)NC([O-])=C2)CC1NC(=O)C1=NSNC1=O	REAL300031006045	0	42	-1.0	-54.10	370.19	-2.37	-56.47
CCN1[N-]C(C(=O)N2CC(NC(=O)C3=NSNC3=O)C(C)(C)C2)=CC1=O	REAL300031006102	0	45	-1.0	-58.68	384.96	1.56	-57.12
CN1[N-]C(C(=O)N2CC(NC(=O)C3=NSNC3=O)C(C)(C)C2)=CC1=O	REAL300031006121	0	42	-1.0	-58.03	363.15	0.63	-57.40
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300031006131	0	42	-1.0	-58.10	379.02	-1.19	-59.29
CC1(C)CN(C(=O)CC2=CC(=O)N[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300031006258	1	42	-1.0	-58.73	362.22	-0.67	-59.40
CC1(C)CN(C(=O)C2=CC=C([O-])C(F)=C2)CC1NC(=O)C1=NSNC1=O	REAL300031006263	1	42	-1.0	-59.59	360.10	1.70	-57.89
CC1(C)CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC1NC(=O)C1=NSNC1=O	REAL300031006309	0	42	-1.0	-59.38	366.31	1.77	-57.61
CC1(C)CN(C(=O)C2=CC=NC(Cl)=C2[O-])CC1NC(=O)C1=NSNC1=O	REAL300031006314	0	41	-1.0	-59.94	368.27	1.26	-58.68
CC1=C(CC(=O)N2CC(NC(=O)C3=NSNC3=O)C(C)(C)C2)C(=O)N(C)[N-]1	REAL300031006329	0	48	-1.0	-66.87	404.64	1.92	-64.95
CC1=CN=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)C(C)(C)C2)C([O-])=C1	REAL300031006365	1	44	-1.0	-69.73	371.16	3.41	-66.32
CC1(C)CN(C(=O)C2=CC([O-])=CS2)CC1NC(=O)C1=NSNC1=O	REAL300031006386	0	39	-1.0	-65.34	346.52	1.01	-64.33
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COC1=NC(C(=O)N2CC3C(CNC(=O)C4=NSNC4=O)C3C2)=CC(=O)[N-]1	REAL300031014047	0	42	-1.0	-61.76	363.64	-2.47	-64.23
O=C(NCC1C2CN(C(=O)C3=NC=CC(Cl)=C3[O-])CC12)C1=NSNC1=O	REAL300031014057	0	39	-1.0	-68.24	355.26	2.95	-65.29
O=C(NCC1C2CN(C(=O)C3=CC=C(Cl)C([O-])=C3)CC12)C1=NSNC1=O	REAL300031014095	0	40	-1.0	-58.87	359.06	2.13	-56.74
O=C(NCC1C2CN(C(=O)C3=CC=NC=C3[O-])CC12)C1=NSNC1=O	REAL300031014104	0	39	-1.0	-70.45	336.20	1.39	-69.06
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)CC12)C1=NSNC1=O	REAL300031014110	0	36	-1.0	-61.99	322.07	-1.14	-63.13
CC1=C([O-])N=C(C(=O)N2CC3C(CNC(=O)C4=NSNC4=O)C3C2)S1	REAL300031014133	1	39	-1.0	-58.37	361.24	-0.32	-58.69
O=C(NCC1C2CN(C(=O)C(=O)C3=CC=C([O-])C=C3)CC12)C1=NSNC1=O	REAL300031014227	1	42	-1.0	-59.81	365.37	1.91	-57.90
O=C(NCC1C2CN(C(=O)C3=CN=C(C=N[O-])S3)CC12)C1=NSNC1=O	REAL300031014248	0	39	-1.0	-67.49	359.96	-0.03	-67.52
O=C(NCC1C2CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)CC12)C1=NSNC1=O	REAL300031014272	1	39	-1.0	-53.77	355.92	2.58	-51.19
O=C(NCC1C2CN(C(=O)C3=CC(=O)NC([O-])=C3)CC12)C1=NSNC1=O	REAL300031014294	0	40	-1.0	-52.48	365.96	-2.17	-54.65
CCN1[N-]C(C(=O)N2CC3C(CNC(=O)C4=NSNC4=O)C3C2)=CC1=O	REAL300031014355	0	43	-1.0	-57.66	379.06	1.66	-56.00
CN1[N-]C(C(=O)N2CC3C(CNC(=O)C4=NSNC4=O)C3C2)=CC1=O	REAL300031014376	0	40	-1.0	-56.77	357.25	0.73	-56.04
O=C(CSC1=NNC(=O)[N-]1)N1CC2C(CNC(=O)C3=NSNC3=O)C2C1	REAL300031014386	0	40	-1.0	-59.78	366.23	-1.25	-61.03
O=C(CC1=CC(=O)N[N-]1)N1CC2C(CNC(=O)C3=NSNC3=O)C2C1	REAL300031014522	1	40	-1.0	-63.39	358.98	-0.59	-63.98
O=C(NCC1C2CN(C(=O)C3=CC=C([O-])C(F)=C3)CC12)C1=NSNC1=O	REAL300031014527	1	40	-1.0	-62.09	349.64	1.73	-60.36
O=C(NCC1C2CN(C(=O)C3=CC(F)=C([O-])C(F)=C3)CC12)C1=NSNC1=O	REAL300031014574	0	40	-1.0	-59.24	363.76	2.05	-57.19
O=C(NCC1C2CN(C(=O)C3=CC=NC(Cl)=C3[O-])CC12)C1=NSNC1=O	REAL300031014579	0	39	-1.0	-65.84	363.36	1.90	-63.94
CC1=C(CC(=O)N2CC3C(CNC(=O)C4=NSNC4=O)C3C2)C(=O)N(C)[N-]1	REAL300031014594	0	46	-1.0	-66.42	394.56	1.57	-64.85
CC1=CN=C(C(=O)N2CC3C(CNC(=O)C4=NSNC4=O)C3C2)C([O-])=C1	REAL300031014630	1	42	-1.0	-68.44	368.00	3.35	-65.09
O=C(NCC1C2CN(C(=O)C3=CC([O-])=CS3)CC12)C1=NSNC1=O	REAL300031014653	0	37	-1.0	-66.03	342.36	0.77	-65.26
O=C(NCC1C2CN(C(=O)C3=CN([O-])C(=O)C=C3)CC12)C1=NSNC1=O	REAL300031014669	0	40	-1.0	-71.77	357.40	2.45	-69.32
CN1[N-]C(C(=O)NCC2C3CN(C(=O)C4=NSNC4=O)CC23)=CC1=O	REAL300031014834	0	40	-1.0	-55.61	349.90	0.48	-55.13
O=C(CSC1=NNC(=O)[N-]1)NCC1C2CN(C(=O)C3=NSNC3=O)CC12	REAL300031014841	0	40	-1.0	-59.55	364.08	-1.37	-60.92
O=C(NCC1C2CN(C(=O)C3=NSNC3=O)CC12)C1=NC(=O)[N-]C(=O)N1	REAL300031015003	0	38	-1.0	-54.75	340.23	-4.28	-59.03
O=C(NCC1C2CN(C(=O)C3=NSNC3=O)CC12)C1=NC(=O)NC(=O)[N-]1	REAL300031015003	1	38	-1.0	-49.05	340.86	-3.53	-52.58
O=C(CN1[N-]C(=O)C=CC1=O)NCC1C2CN(C(=O)C3=NSNC3=O)CC12	REAL300031015154	0	42	-1.0	-61.46	368.88	-0.63	-62.09
O=C(NCC1C2CN(C(=O)C3=NSNC3=O)CC12)C1=CC(=O)[N-]O1	REAL300031015162	0	36	-1.0	-56.64	329.28	-0.44	-57.08
O=C(NCC1C2CN(C(=O)C3=NSNC3=O)CC12)C1=CN([O-])C(=O)NC1=O	REAL300031015175	0	40	-1.0	-53.56	352.74	0.50	-53.06
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=NNC(=O)[N-]C2=O)CCO1	REAL300031015933	0	41	-1.0	-57.13	358.99	-4.19	-61.32
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)CN2C(=O)[N-]NC2=O)CCO1	REAL300031015977	0	43	-1.0	-59.12	375.67	-2.70	-61.82
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CN([O-])C(=O)C=C2)CCO1	REAL300031016314	0	43	-1.0	-68.75	372.02	1.45	-67.30
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(=O)NC([O-])=C2)CCO1	REAL300031016386	0	43	-1.0	-49.25	372.35	-3.45	-52.70
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=COC(=O)[N-]2)CCO1	REAL300031016396	1	39	-1.0	-48.15	340.42	-2.37	-50.52
CCN1[N-]C(C(=O)N2CCOC(C(C)NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031016500	0	46	-1.0	-54.63	390.21	0.18	-54.45
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)CC2=CC(=O)N[N-]2)CCO1	REAL300031016507	1	43	-1.0	-62.54	370.67	-1.60	-64.14
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=NN(C)C(=O)[N-]2)CCO1	REAL300031016525	0	42	-1.0	-57.56	364.97	-1.83	-59.39
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=C[N-]N=CC2=O)CCO1	REAL300031016575	0	41	-1.0	-51.36	358.79	-0.98	-52.34
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(=O)N[N-]2)CCO1	REAL300031016630	0	40	-1.0	-51.12	345.67	-2.45	-53.57
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C(=O)[PH](C)(C)[O-])CCO1	REAL300031016635	0	45	-1.0	-50.08	381.69	-0.45	-50.53
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)CCC2=NC(=O)NN2)CCO1	REAL300031016653	0	45	-1.0	-61.00	385.92	-2.55	-63.55
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)CCC2=NC(=O)[N-]N2)CCO1	REAL300031016653	1	45	-1.0	-61.00	385.92	-2.55	-63.55
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=CN([O-])C2=O)CCO1	REAL300031016655	0	43	-1.0	-64.18	368.97	0.96	-63.22
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=NC(=O)C(C)S2)CCO1	REAL300031016672	0	42	-1.0	-54.25	372.67	-1.66	-55.91
CC1=C([O-])N=C(C(=O)N2CCOC(C(C)NC(=O)C3=NSNC3=O)C2)S1	REAL300031016672	1	42	-1.0	-54.25	372.67	-1.66	-55.91
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(=O)N([O-])C=C2)CCO1	REAL300031016686	0	43	-1.0	-64.11	378.07	1.65	-62.46
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=CC(=O)N2[O-])CCO1	REAL300031016706	0	43	-1.0	-74.16	377.56	1.40	-72.76
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)CC2=NC([O-])=CS2)CCO1	REAL300031016805	0	42	-1.0	-73.97	377.10	-2.32	-76.29
CC1=CC(=O)C(C(=O)N2CCOC(C(C)NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031016941	0	44	-1.0	-54.87	374.58	1.22	-53.65
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=NNC(=O)[N-]2)CCO1	REAL300031016950	0	39	-1.0	-54.40	341.86	-3.50	-57.90
CC(NC(=O)C1=NC=CC=C1[O-])C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031017279	1	42	-1.0	-69.23	359.35	1.37	-67.86
CC(NC(=O)C1=NNC(=O)[N-]C1=O)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031017369	0	41	-1.0	-59.93	357.48	-4.55	-64.48
CC(NC(=O)CN1C(=O)[N-]NC1=O)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031017450	0	43	-1.0	-62.40	372.97	-2.47	-64.87
CC(NC(=O)C1=COC(=O)[N-]1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018214	1	39	-1.0	-54.59	341.09	-3.46	-58.05
CC(NC(=O)C1=CC=C([O-])C=C1F)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018275	1	43	-1.0	-60.02	368.84	1.57	-58.45
CC(NC(=O)C1=CC([O-])=CC(=O)O1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018278	0	42	-1.0	-55.39	367.49	0.76	-54.63
CC(NC(=O)CCC1=NC(=O)[N-]N1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018323	1	45	-1.0	-65.15	383.23	-2.40	-67.55
CC(NC(=O)C1=C[N-]N=CC1=O)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018332	0	41	-1.0	-48.45	350.14	-0.32	-48.77
CC(NC(=O)C1=CC=CC(F)=C1[O-])C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018339	0	43	-1.0	-73.96	366.51	2.68	-71.28
CC(NC(=O)C1=CC=CC([O-])=C1F)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018390	1	43	-1.0	-71.24	366.84	1.08	-70.16
CC(NC(=O)C1=CC(=O)N[N-]1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018451	0	40	-1.0	-54.86	345.53	-2.52	-57.38
CC(NC(=O)C(=O)[PH](C)(C)[O-])C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018456	0	45	-1.0	-54.33	381.29	-0.51	-54.84
CC(NC(=O)C1=CC(=O)N([O-])C=C1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018501	0	43	-1.0	-72.26	368.48	1.54	-70.72
CC(NC(=O)C1=NNC(=O)[N-]1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018515	0	39	-1.0	-58.26	339.96	-3.99	-62.25
CC(NC(=O)C1=CC=CN([O-])C1=O)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018518	0	43	-1.0	-64.63	367.93	2.23	-62.40
CC(NC(=O)C1=CC(F)=CC=C1O)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018612	0	43	-1.0	-64.87	368.40	3.19	-61.68
CC(NC(=O)C1=CC(F)=CC=C1[O-])C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018612	1	43	-1.0	-64.87	368.40	3.19	-61.68
CC1=CC=NC(C(=O)NC(C)C2CN(C(=O)C3=NSNC3=O)CCO2)=C1O	REAL300031018652	0	45	-1.0	-68.26	378.29	1.65	-66.61
CC1=CC=NC(C(=O)NC(C)C2CN(C(=O)C3=NSNC3=O)CCO2)=C1[O-]	REAL300031018652	1	45	-1.0	-68.26	378.29	1.65	-66.61
CC(NC(=O)C1=CN=CC(O)=C1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018706	0	42	-1.0	-61.26	357.48	-0.80	-62.06
CC(NC(=O)C1=CN=CC([O-])=C1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018706	1	42	-1.0	-61.26	357.48	-0.80	-62.06
CC(NC(=O)CC1=NC([O-])=CS1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018778	0	42	-1.0	-76.90	373.87	-2.14	-79.04
CC(NC(=O)C1=C(O)C=CC=C1F)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018788	0	43	-1.0	-65.88	373.89	1.48	-64.40
CC(NC(=O)C1=C([O-])C=CC=C1F)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018788	1	43	-1.0	-65.88	373.89	1.48	-64.40
CC1=CC(=O)C(C(=O)NC(C)C2CN(C(=O)C3=NSNC3=O)CCO2)=N[N-]1	REAL300031018871	0	44	-1.0	-59.09	374.64	1.31	-57.78
CC(NC(=O)C1=CC=CC(=O)N1[O-])C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018885	0	43	-1.0	-87.44	365.60	2.54	-84.90
CC(NC(=O)C1=NN(C)C(=O)[N-]1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031018926	0	42	-1.0	-61.36	362.79	-2.32	-63.68
CC(NC(=O)C1=CC=C(F)C([O-])=C1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031019035	1	43	-1.0	-67.96	368.67	1.06	-66.90
CC(NC(=O)C1=NC(=O)[N-]C(=O)N1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031019077	0	41	-1.0	-51.14	359.68	-4.79	-55.93
CC(NC(=O)C1=NC(=O)NC(=O)[N-]1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031019077	1	41	-1.0	-51.14	359.68	-4.79	-55.93
CC(NC(=O)C1=CN=C(N)NC1=O)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031019111	0	43	-1.0	-54.60	365.61	-1.12	-55.72
CC(NC(=O)C1=CN=C(N)[N-]C1=O)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031019111	1	43	-1.0	-54.60	365.61	-1.12	-55.72
CC(NC(=O)C(F)(F)C(F)F)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031019180	0	38	-1.0	-53.67	341.77	-0.10	-53.77
CC([N-]C(=O)C(F)(F)C(F)F)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031019180	1	38	-1.0	-53.67	341.77	-0.10	-53.77
CC(NC(=O)C1=CC=NC=C1O)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031019183	0	42	-1.0	-68.46	357.44	1.27	-67.19
CC(NC(=O)C1=CC=NC=C1[O-])C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031019183	1	42	-1.0	-68.46	357.44	1.27	-67.19
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031019188	0	39	-1.0	-58.61	340.66	-1.98	-60.59
CC(NC(=O)C1=NC(=O)C(C)S1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031019202	0	42	-1.0	-60.79	373.84	-1.94	-62.73
CC1=C([O-])N=C(C(=O)NC(C)C2CN(C(=O)C3=NSNC3=O)CCO2)S1	REAL300031019202	1	42	-1.0	-60.79	373.84	-1.94	-62.73
CC(NC(=O)C1=CC(=O)NC([O-])=C1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031019291	0	43	-1.0	-53.39	368.60	-3.35	-56.74
CCN1[N-]C(C(=O)NC(C)C2CN(C(=O)C3=NSNC3=O)CCO2)=CC1=O	REAL300031019328	0	46	-1.0	-58.51	390.07	0.13	-58.38
CC(NC(=O)C1=CC(=O)N(C)[N-]1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031019343	0	43	-1.0	-58.77	370.19	-0.34	-59.11
CC(NC(=O)CC1=CC(=O)NN1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031019419	0	43	-1.0	-64.57	366.18	-1.90	-66.47
CC(NC(=O)CC1=CC(=O)N[N-]1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031019419	1	43	-1.0	-64.57	366.18	-1.90	-66.47
CC(NC(=O)C1=CC=C(O)C(F)=C1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031019423	0	43	-1.0	-60.95	368.64	1.10	-59.85
CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031019423	1	43	-1.0	-60.95	368.64	1.10	-59.85
CC1=CN=C(C(=O)NC(C)C2CN(C(=O)C3=NSNC3=O)CCO2)C(O)=C1	REAL300031019476	0	45	-1.0	-69.80	378.97	1.54	-68.26
CC1=CN=C(C(=O)NC(C)C2CN(C(=O)C3=NSNC3=O)CCO2)C([O-])=C1	REAL300031019476	1	45	-1.0	-69.80	378.97	1.54	-68.26
CC(NC(=O)C1=CC([O-])=CS1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031019487	0	40	-1.0	-65.47	356.58	0.42	-65.05
CC(NC(=O)C1=CN([O-])C(=O)C=C1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300031019498	0	43	-1.0	-72.09	368.13	1.57	-70.52
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(=O)N(C)[N-]2)CCO1	REAL300031019586	0	43	-1.0	-53.84	368.40	-0.76	-54.60
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCO1	REAL300031019667	0	41	-1.0	-58.16	360.75	-4.42	-62.58
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCO1	REAL300031019667	1	41	-1.0	-50.38	359.46	-4.13	-54.51
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300031019758	0	39	-1.0	-55.23	340.28	-2.49	-57.72
O=C(NC1CCC2CN(C(=O)C3=NSNC3=O)CC2C1)C1=COC(=O)[N-]1	REAL300031020492	1	42	-1.0	-53.93	355.40	-0.82	-54.75
O=C(CC1=CC(=O)N[N-]1)NC1CCC2CN(C(=O)C3=NSNC3=O)CC2C1	REAL300031020570	1	46	-1.0	-63.77	385.44	0.51	-63.26
CN1N=C(C(=O)NC2CCC3CN(C(=O)C4=NSNC4=O)CC3C2)[N-]C1=O	REAL300031020579	0	45	-1.0	-59.87	381.33	0.13	-59.74
O=C(NC1CCC2CN(C(=O)C3=NSNC3=O)CC2C1)C1=C[N-]N=CC1=O	REAL300031020611	0	44	-1.0	-46.27	368.30	2.09	-44.18
O=C(NC1CCC2CN(C(=O)C3=NSNC3=O)CC2C1)C1=CC(=O)N[N-]1	REAL300031020645	0	43	-1.0	-53.67	364.08	-0.07	-53.74
O=C(NC1CCC2CN(C(=O)C3=NSNC3=O)CC2C1)C1=NC(=O)N[N-]1	REAL300031020816	0	42	-1.0	-53.38	358.67	-1.37	-54.75
O=C(NC1CCC2CN(C(=O)C3=NC=CC=C3[O-])CC2C1)C1=NSNC1=O	REAL300031021110	1	45	-1.0	-64.26	372.36	3.71	-60.55
O=C(NC1CCC2CN(C(=O)C3=COC(=O)[N-]3)CC2C1)C1=NSNC1=O	REAL300031021585	1	42	-1.0	-52.13	355.87	-0.24	-52.37
O=C(NC1CCC2CN(C(=O)C3=C[N-]N=CC3=O)CC2C1)C1=NSNC1=O	REAL300031021656	0	44	-1.0	-50.59	374.27	1.70	-48.89
O=C(NC1CCC2CN(C(=O)C3=CC(=O)N[N-]3)CC2C1)C1=NSNC1=O	REAL300031021715	0	43	-1.0	-52.19	361.11	0.03	-52.16
O=C(NC1CCC2CN(C(=O)C3=NC(=O)N[N-]3)CC2C1)C1=NSNC1=O	REAL300031021749	0	42	-1.0	-51.75	355.05	-0.66	-52.41
O=C(NC1CCC2CN(C(=O)C3=CN=CC([O-])=C3)CC2C1)C1=NSNC1=O	REAL300031021857	1	45	-1.0	-59.78	375.28	0.88	-58.90
CN1N=C(C(=O)N2CC3CCC(NC(=O)C4=NSNC4=O)CC3C2)[N-]C1=O	REAL300031021965	0	45	-1.0	-58.70	378.23	0.19	-58.51
O=C(NC1CCC2CN(C(=O)C3=CC=NC=C3[O-])CC2C1)C1=NSNC1=O	REAL300031022095	0	45	-1.0	-63.17	372.93	2.29	-60.88
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=NSNC1=O	REAL300031022098	0	42	-1.0	-56.15	355.80	0.22	-55.93
CN1[N-]C(C(=O)N2CC3CCC(NC(=O)C4=NSNC4=O)CC3C2)=CC1=O	REAL300031022185	0	46	-1.0	-54.84	383.45	1.72	-53.12
O=C(CC1=CC(=O)N[N-]1)N1CC2CCC(NC(=O)C3=NSNC3=O)CC2C1	REAL300031022231	1	46	-1.0	-60.07	385.03	0.56	-59.51
O=C(NC1CCC2CN(C(=O)C3=CC([O-])=CS3)CC2C1)C1=NSNC1=O	REAL300031022275	0	43	-1.0	-65.43	371.34	1.76	-63.67
CN1[N-]C(C(=O)NC2CCC3CN(C(=O)C4=NSNC4=O)CC3C2)=CC1=O	REAL300031022334	0	46	-1.0	-56.28	386.89	1.64	-54.64
O=C(NC1CCC2CN(C(=O)C3=NSNC3=O)CC2C1)C1=CC(=O)[N-]O1	REAL300031022443	0	42	-1.0	-58.06	354.97	0.66	-57.40
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300031023469	0	40	-1.0	-57.69	353.17	-3.21	-60.90
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)CN1C(=O)[N-]NC1=O	REAL300031023538	0	42	-1.0	-58.85	371.10	-1.75	-60.60
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300031024032	0	42	-1.0	-63.27	370.63	2.54	-60.73
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300031024127	0	42	-1.0	-52.22	371.04	-2.37	-54.59
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=COC(=O)[N-]1	REAL300031024138	1	38	-1.0	-50.01	336.85	-1.21	-51.22
CCN1[N-]C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)CC2C)=CC1=O	REAL300031024286	0	45	-1.0	-58.18	385.15	1.41	-56.77
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)CC1=CC(=O)N[N-]1	REAL300031024293	1	42	-1.0	-61.98	366.09	-0.69	-62.67
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300031024308	0	42	-1.0	-86.31	381.36	2.99	-83.32
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)CC1SC(=O)[N-]C1=O	REAL300031024317	0	42	-1.0	-50.84	378.96	-2.12	-52.96
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300031024330	0	41	-1.0	-59.25	359.15	-0.91	-60.16
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=C[N-]N=CC1=O	REAL300031024409	0	40	-1.0	-50.27	355.56	0.52	-49.75
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)N[N-]1	REAL300031024494	0	39	-1.0	-52.45	341.69	-1.09	-53.54
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300031024498	0	44	-1.0	-52.90	374.97	0.06	-52.84
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=CN([O-])C1=O	REAL300031024528	0	42	-1.0	-71.98	371.88	2.64	-69.34
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=NC(=O)C(C)S1	REAL300031024553	0	41	-1.0	-54.50	368.64	-0.43	-54.93
CC1=C([O-])N=C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)CC2C)S1	REAL300031024553	1	41	-1.0	-54.50	368.64	-0.43	-54.93
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)C=C(Cl)N1	REAL300031024565	0	41	-1.0	-48.71	371.57	2.45	-46.26
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031024565	1	41	-1.0	-48.71	371.57	2.45	-46.26
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300031024577	0	42	-1.0	-68.38	370.85	2.56	-65.82
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300031024606	0	42	-1.0	-82.33	370.25	2.37	-79.96
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)CC1=C([O-])N=C(N)S1	REAL300031024710	0	43	-1.0	-69.93	384.99	-2.29	-72.22
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)CC1=NC([O-])=CS1	REAL300031024748	0	41	-1.0	-73.67	371.94	-1.41	-75.08
CCC1=NC=C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)CC2C)C(=O)N1	REAL300031024762	0	46	-1.0	-57.98	396.66	0.85	-57.13
CCC1=NC=C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)CC2C)C(=O)[N-]1	REAL300031024762	1	46	-1.0	-57.98	396.66	0.85	-57.13
CC1=CC(=O)C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)CC2C)=N[N-]1	REAL300031024947	0	43	-1.0	-57.76	368.87	2.50	-55.26
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=NC(=O)N[N-]1	REAL300031024960	0	38	-1.0	-50.23	336.47	-1.84	-52.07
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CN=C(C=N[O-])S1	REAL300031025048	0	41	-1.0	-66.30	373.39	-0.08	-66.38
COC1=NC(C(=O)N2CC(CNC(=O)C3=NSNC3=O)CC2C)=CC(=O)[N-]1	REAL300031025060	0	44	-1.0	-58.23	379.19	-2.70	-60.93
CC1CC(CNC(=O)C2=NC=CC=C2[O-])CN1C(=O)C1=NSNC1=O	REAL300031025312	1	41	-1.0	-60.25	353.83	2.39	-57.86
CC1CC(CNC(=O)C2=NNC(=O)[N-]C2=O)CN1C(=O)C1=NSNC1=O	REAL300031025435	0	40	-1.0	-54.78	353.27	-3.14	-57.92
CC1CC(CNC(=O)CN2C(=O)[N-]NC2=O)CN1C(=O)C1=NSNC1=O	REAL300031025595	0	42	-1.0	-56.13	366.00	-1.67	-57.80
CC1CC(CNC(=O)C2=CC(Cl)=CC=C2[O-])CN1C(=O)C1=NSNC1=O	REAL300031026914	1	42	-1.0	-58.08	373.26	4.60	-53.48
CC1CC(CNC(=O)C2=CC([O-])=CC(C#N)=C2)CN1C(=O)C1=NSNC1=O	REAL300031026939	1	43	-1.0	-45.87	378.18	2.63	-43.24
CCC1=NC=C(C(=O)NCC2CC(C)N(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031027022	1	46	-1.0	-43.47	386.84	1.44	-42.03
CC1CC(CNC(=O)C2=COC(=O)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300031027040	1	38	-1.0	-46.93	336.88	-2.06	-48.99
CC1CC(CNC(=O)C[N-]C(=O)C(F)(F)F)CN1C(=O)C1=NSNC1=O	REAL300031027107	0	41	-1.0	-48.50	370.46	-1.38	-49.88
CC1CC(CNC(=O)CC2=C([O-])N=C(N)S2)CN1C(=O)C1=NSNC1=O	REAL300031027108	0	43	-1.0	-66.21	383.34	-2.00	-68.21
CC1CC(CNC(=O)C2=C(F)C=C([O-])C=C2F)CN1C(=O)C1=NSNC1=O	REAL300031027117	0	42	-1.0	-47.57	373.59	2.21	-45.36
CC1CC(CNC(=O)C2=CC=C([O-])C=C2F)CN1C(=O)C1=NSNC1=O	REAL300031027132	1	42	-1.0	-54.72	363.23	2.54	-52.18
CC1CC(CNC(=O)C2=CC([O-])=CC(=O)O2)CN1C(=O)C1=NSNC1=O	REAL300031027138	0	41	-1.0	-50.28	360.66	1.50	-48.78
CC1CC(CNC(=O)C2=CC=C(C#N)C([O-])=C2)CN1C(=O)C1=NSNC1=O	REAL300031027145	1	43	-1.0	-60.58	378.91	2.89	-57.69
CC1CC(CNC(=O)C2=CC(Cl)=NC=C2[O-])CN1C(=O)C1=NSNC1=O	REAL300031027148	0	41	-1.0	-54.91	368.68	2.70	-52.21
CC1CC(CNC(=O)CN2N=CC(=O)[N-]C2=O)CN1C(=O)C1=NSNC1=O	REAL300031027164	0	43	-1.0	-61.75	377.75	-2.59	-64.34
CC1CC(CNC(=O)C2=C[N-]N=CC2=O)CN1C(=O)C1=NSNC1=O	REAL300031027242	0	40	-1.0	-39.42	345.93	1.10	-38.32
CC1CC(CNC(=O)C2=CC=CC(F)=C2[O-])CN1C(=O)C1=NSNC1=O	REAL300031027251	0	42	-1.0	-67.69	362.75	4.15	-63.54
CC1CC(CNC(=O)C2=CC(=O)N[N-]2)CN1C(=O)C1=NSNC1=O	REAL300031027435	0	39	-1.0	-48.60	341.73	-1.09	-49.69
CC1CC(CNC(=O)C(=O)[PH](C)(C)[O-])CN1C(=O)C1=NSNC1=O	REAL300031027441	0	44	-1.0	-46.80	374.62	0.21	-46.59
CC1CC(CNC(=O)C2=CC(=O)N([O-])C=C2)CN1C(=O)C1=NSNC1=O	REAL300031027528	0	42	-1.0	-69.76	364.78	3.00	-66.76
CC1CC(CNC(=O)C2=NNC(=O)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300031027552	0	38	-1.0	-52.44	336.27	-2.52	-54.96
CC1CC(CNC(=O)C2=C(O)C=CC=C2Cl)CN1C(=O)C1=NSNC1=O	REAL300031027555	0	42	-1.0	-51.76	377.94	2.79	-48.97
CC1CC(CNC(=O)C2=C([O-])C=CC=C2Cl)CN1C(=O)C1=NSNC1=O	REAL300031027555	1	42	-1.0	-51.76	377.94	2.79	-48.97
CC1CC(CNC(=O)C2=CC=CN([O-])C2=O)CN1C(=O)C1=NSNC1=O	REAL300031027559	0	42	-1.0	-54.93	360.56	2.96	-51.97
CC1CC(CNC(=O)C2=C(F)C=CC(O)=C2F)CN1C(=O)C1=NSNC1=O	REAL300031027588	0	42	-1.0	-51.12	374.87	2.40	-48.72
CC1CC(CNC(=O)C2=C(F)C=CC([O-])=C2F)CN1C(=O)C1=NSNC1=O	REAL300031027588	1	42	-1.0	-51.12	374.87	2.40	-48.72
CC1CC(CNC(=O)C2=CC(F)=CC=C2O)CN1C(=O)C1=NSNC1=O	REAL300031027723	0	42	-1.0	-57.48	362.94	4.15	-53.33
CC1CC(CNC(=O)C2=CC(F)=CC=C2[O-])CN1C(=O)C1=NSNC1=O	REAL300031027723	1	42	-1.0	-57.48	362.94	4.15	-53.33
CC1=CC=NC(C(=O)NCC2CC(C)N(C(=O)C3=NSNC3=O)C2)=C1O	REAL300031027786	0	44	-1.0	-59.61	372.63	2.89	-56.72
CC1=CC=NC(C(=O)NCC2CC(C)N(C(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300031027786	1	44	-1.0	-59.61	372.63	2.89	-56.72
CC1CC(CNC(=O)C2=CN=CC(O)=C2)CN1C(=O)C1=NSNC1=O	REAL300031027890	0	41	-1.0	-56.75	352.34	0.47	-56.28
CC1CC(CNC(=O)C2=CN=CC([O-])=C2)CN1C(=O)C1=NSNC1=O	REAL300031027890	1	41	-1.0	-56.75	352.34	0.47	-56.28
CC1CC(CNC(=O)C2=CC=CC(=S)N2[O-])CN1C(=O)C1=NSNC1=O	REAL300031027900	0	42	-1.0	-87.74	372.96	5.04	-82.70
CC1CC(CNC(=O)C2=CC=C([O-])C(Cl)=N2)CN1C(=O)C1=NSNC1=O	REAL300031028007	0	41	-1.0	-45.29	372.07	1.23	-44.06
CC1CC(CNC(=O)C2=CC=C([O-])C=C2Cl)CN1C(=O)C1=NSNC1=O	REAL300031028045	1	42	-1.0	-53.08	371.20	2.97	-50.11
CC1CC(CNC(=O)CC2=NC([O-])=CS2)CN1C(=O)C1=NSNC1=O	REAL300031028056	0	41	-1.0	-72.50	368.24	-1.15	-73.65
CC1CC(CNC(=O)C2=C([O-])C=CC=C2F)CN1C(=O)C1=NSNC1=O	REAL300031028071	1	42	-1.0	-52.48	368.45	2.42	-50.06
CC1CC(CNC(=O)CN2[N-]C(=O)C=CC2=O)CN1C(=O)C1=NSNC1=O	REAL300031028073	0	44	-1.0	-56.73	383.51	-0.48	-57.21
CC1CC(CNC(=O)C2=CC=C(F)C=C2[O-])CN1C(=O)C1=NSNC1=O	REAL300031028074	0	42	-1.0	-62.08	362.95	4.14	-57.94
CC1=CC=C(F)C([O-])=C1C(=O)NCC1CC(C)N(C(=O)C2=NSNC2=O)C1	REAL300031028104	0	45	-1.0	-57.08	387.94	2.98	-54.10
CC1CC(CNC(=O)CC2SC(=O)[N-]C2=O)CN1C(=O)C1=NSNC1=O	REAL300031028166	0	42	-1.0	-50.62	375.95	-1.91	-52.53
CC1CC(CNC(=O)C2=CC=C([O-])C(F)=C2F)CN1C(=O)C1=NSNC1=O	REAL300031028191	0	42	-1.0	-57.46	369.30	2.61	-54.85
CC1CC(CNC(=O)C2=CC=CC(Cl)=C2[O-])CN1C(=O)C1=NSNC1=O	REAL300031028197	0	42	-1.0	-62.01	372.56	4.60	-57.41
CC1=CC(=O)C(C(=O)NCC2CC(C)N(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031028225	0	43	-1.0	-50.62	370.43	2.73	-47.89
CC1CC(CNC(=O)C2=CC=CC(=O)N2[O-])CN1C(=O)C1=NSNC1=O	REAL300031028250	0	42	-1.0	-82.79	361.85	4.01	-78.78
CC1CC(CNC(=O)C2=CC=C(C#N)[N-]C2=O)CN1C(=O)C1=NSNC1=O	REAL300031028278	0	42	-1.0	-39.48	371.70	0.96	-38.52
CC1CC(CNC(=O)C2=NN(C)C(=O)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300031028324	0	41	-1.0	-55.36	359.10	-0.85	-56.21
CC1CC(CNC(=O)C2=C(F)C=CC(O)=C2O)CN1C(=O)C1=NSNC1=O	REAL300031028373	0	43	-1.0	-53.95	379.24	0.49	-53.46
CC1CC(CNC(=O)C2=C(F)C=CC(O)=C2[O-])CN1C(=O)C1=NSNC1=O	REAL300031028373	1	43	-1.0	-53.95	379.24	0.49	-53.46
CC1CC(CNC(=O)C2=CC(C#N)=CC=C2[O-])CN1C(=O)C1=NSNC1=O	REAL300031028382	0	43	-1.0	-54.71	377.36	4.50	-50.21
CC1CC(CNC(=O)C2=CN([O-])C(=O)NC2=O)CN1C(=O)C1=NSNC1=O	REAL300031028465	0	42	-1.0	-49.97	367.18	0.62	-49.35
CC1CC(CNC(=O)C2=CC=C(F)C(O)=C2)CN1C(=O)C1=NSNC1=O	REAL300031028516	0	42	-1.0	-64.44	364.98	2.51	-61.93
CC1CC(CNC(=O)C2=CC=C(F)C([O-])=C2)CN1C(=O)C1=NSNC1=O	REAL300031028516	1	42	-1.0	-64.44	364.98	2.51	-61.93
CC1CC(CNC(=O)C2=CC=C(Cl)C=C2O)CN1C(=O)C1=NSNC1=O	REAL300031028534	0	42	-1.0	-61.49	373.27	4.60	-56.89
CC1CC(CNC(=O)C2=CC=C(Cl)C=C2[O-])CN1C(=O)C1=NSNC1=O	REAL300031028534	1	42	-1.0	-61.49	373.27	4.60	-56.89
CC1CC(CNC(=O)C2=NC(=O)[N-]C(=O)N2)CN1C(=O)C1=NSNC1=O	REAL300031028601	0	40	-1.0	-51.37	354.83	-4.13	-55.50
CC1CC(CNC(=O)C2=NC(=O)NC(=O)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300031028601	1	40	-1.0	-44.95	354.10	-3.56	-48.51
CC1CC(CNC(=O)C2=CN=C(N)[N-]C2=O)CN1C(=O)C1=NSNC1=O	REAL300031028655	1	42	-1.0	-44.31	358.79	-0.37	-44.68
CC1CC(CNC(=O)C2=CC=C(F)C([O-])=C2F)CN1C(=O)C1=NSNC1=O	REAL300031028688	0	42	-1.0	-67.36	369.26	2.58	-64.78
COC1=NC(C(=O)NCC2CC(C)N(C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300031028730	0	44	-1.0	-54.20	381.15	-3.23	-57.43
CC1CC(CNC(=O)C2=NC=CC(Cl)=C2[O-])CN1C(=O)C1=NSNC1=O	REAL300031028739	0	41	-1.0	-56.79	369.96	2.89	-53.90
CC1CC(CNC(=O)C2=CC=C(Cl)C([O-])=C2)CN1C(=O)C1=NSNC1=O	REAL300031028777	0	42	-1.0	-59.69	374.78	3.00	-56.69
CC1CC(CNC(=O)C2=CC=NC=C2[O-])CN1C(=O)C1=NSNC1=O	REAL300031028786	1	41	-1.0	-61.66	351.81	2.26	-59.40
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NSNC1=O	REAL300031028792	0	38	-1.0	-53.33	335.09	-0.77	-54.10
CC1=C([O-])N=C(C(=O)NCC2CC(C)N(C(=O)C3=NSNC3=O)C2)S1	REAL300031028814	1	41	-1.0	-52.44	368.25	-0.95	-53.39
CC1CC(CNC(=O)C(=O)C2=CC=C([O-])C=C2)CN1C(=O)C1=NSNC1=O	REAL300031028906	1	44	-1.0	-54.19	379.32	2.33	-51.86
CC1CC(CNC(=O)C2=CN=C(C=N[O-])S2)CN1C(=O)C1=NSNC1=O	REAL300031028925	0	41	-1.0	-64.49	377.08	0.51	-63.98
CC1CC(CNC(=O)C2=CC(=O)C=C(Cl)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300031028946	1	41	-1.0	-45.62	371.86	2.22	-43.40
CC1CC(CNC(=O)C2=CC(=O)NC([O-])=C2)CN1C(=O)C1=NSNC1=O	REAL300031028966	0	42	-1.0	-48.21	364.83	-1.92	-50.13
CCN1[N-]C(C(=O)NCC2CC(C)N(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031029023	0	45	-1.0	-51.86	384.89	1.37	-50.49
CC1CC(CNC(=O)C2=CC(=O)N(C)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300031029042	0	42	-1.0	-51.25	364.54	0.63	-50.62
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300031029052	0	42	-1.0	-56.20	377.31	-1.43	-57.63
CC1CC(CNC(=O)CC2=CC(=O)N[N-]2)CN1C(=O)C1=NSNC1=O	REAL300031029179	1	42	-1.0	-60.37	362.40	-0.43	-60.80
CC1CC(CNC(=O)C2=CC=C([O-])C(F)=C2)CN1C(=O)C1=NSNC1=O	REAL300031029184	1	42	-1.0	-56.92	364.94	2.55	-54.37
CC1CC(CNC(=O)C2=CC(F)=C([O-])C(F)=C2)CN1C(=O)C1=NSNC1=O	REAL300031029230	0	42	-1.0	-55.35	371.09	2.60	-52.75
CC1CC(CNC(=O)C2=CC=NC(Cl)=C2[O-])CN1C(=O)C1=NSNC1=O	REAL300031029235	0	41	-1.0	-60.22	367.99	2.72	-57.50
CC1=C(CC(=O)NCC2CC(C)N(C(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300031029250	0	48	-1.0	-60.52	405.47	1.99	-58.53
CC1=CN=C(C(=O)NCC2CC(C)N(C(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300031029286	1	44	-1.0	-61.56	375.28	3.03	-58.53
CC1CC(CNC(=O)C2=CC([O-])=CS2)CN1C(=O)C1=NSNC1=O	REAL300031029307	0	39	-1.0	-59.90	349.66	1.21	-58.69
CC1CC(CNC(=O)C2=CN([O-])C(=O)C=C2)CN1C(=O)C1=NSNC1=O	REAL300031029323	0	42	-1.0	-69.27	362.98	2.80	-66.47
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300031029461	0	42	-1.0	-57.43	363.35	0.45	-56.98
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300031029468	0	42	-1.0	-55.98	381.86	-1.43	-57.41
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300031029592	0	40	-1.0	-54.70	353.22	-3.70	-58.40
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300031029592	1	40	-1.0	-49.87	353.85	-2.93	-52.80
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300031029712	0	44	-1.0	-60.60	385.65	-0.83	-61.43
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300031029718	0	38	-1.0	-55.51	336.71	-0.94	-56.45
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300031029727	0	42	-1.0	-56.72	375.34	-0.02	-56.74
O=C(NC1CCCC(NC(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300031030920	0	40	-1.0	-59.58	356.30	-4.39	-63.97
O=C(CN1C(=O)[N-]NC1=O)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031031004	0	42	-1.0	-62.33	370.40	-2.72	-65.05
O=C(NC1CCCC(NC(=O)C2=CN([O-])C(=O)C=C2)C1)C1=NSNC1=O	REAL300031031595	0	42	-1.0	-70.18	362.94	2.17	-68.01
O=C(NC1CCCC(NC(=O)C2=CC(=O)NC([O-])=C2)C1)C1=NSNC1=O	REAL300031031709	0	42	-1.0	-52.77	367.84	-3.14	-55.91
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=COC(=O)[N-]1	REAL300031031720	1	38	-1.0	-48.82	335.48	-2.88	-51.70
O=C([N-]C1CCCC(NC(=O)C2=NSNC2=O)C1)C(F)(F)C(F)(F)F	REAL300031031810	1	37	-1.0	-40.74	338.20	0.39	-40.35
CCN1[N-]C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031031890	0	45	-1.0	-52.26	384.85	0.75	-51.51
O=C(CC1=CC(=O)N[N-]1)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031031898	1	42	-1.0	-65.56	365.40	-1.69	-67.25
O=C(NC1CCCC(NC(=O)C2=CC=CC(=S)N2[O-])C1)C1=NSNC1=O	REAL300031031916	0	42	-1.0	-85.04	371.49	4.21	-80.83
O=C(CC1SC(=O)[N-]C1=O)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031031925	0	42	-1.0	-54.75	378.52	-3.16	-57.91
CN1N=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031031941	0	41	-1.0	-55.28	357.62	-1.70	-56.98
O=C(NC1CCCC(NC(=O)C2=C[N-]N=CC2=O)C1)C1=NSNC1=O	REAL300031032030	0	40	-1.0	-44.56	348.96	-0.14	-44.70
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300031032129	0	39	-1.0	-57.44	340.30	-1.89	-59.33
C[PH](C)([O-])C(=O)C(=O)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031032134	0	44	-1.0	-52.62	377.65	-1.00	-53.62
O=C(NC1CCCC(NC(=O)C2=CC=CN([O-])C2=O)C1)C1=NSNC1=O	REAL300031032165	0	42	-1.0	-58.68	360.52	2.33	-56.35
CC1SC(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=NC1=O	REAL300031032193	0	41	-1.0	-54.95	366.84	-1.78	-56.73
CC1=C([O-])N=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)S1	REAL300031032193	1	41	-1.0	-54.95	366.84	-1.78	-56.73
O=C(NC1CCCC(NC(=O)C2=CC(=O)C=C(Cl)N2)C1)C1=NSNC1=O	REAL300031032207	0	41	-1.0	-45.84	370.45	1.39	-44.45
O=C(NC1CCCC(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=NSNC1=O	REAL300031032207	1	41	-1.0	-45.84	370.45	1.39	-44.45
O=C(NC1CCCC(NC(=O)C2=CC(=O)N([O-])C=C2)C1)C1=NSNC1=O	REAL300031032224	0	42	-1.0	-68.80	363.31	2.17	-66.63
O=C(NC1CCCC(NC(=O)C2=CC=CC(=O)N2[O-])C1)C1=NSNC1=O	REAL300031032257	0	42	-1.0	-80.74	360.38	3.17	-77.57
NC1=NC([O-])=C(CC(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)S1	REAL300031032380	0	43	-1.0	-71.23	381.63	-2.85	-74.08
O=C(CC1=NC([O-])=CS1)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031032425	0	41	-1.0	-76.49	371.24	-2.40	-78.89
CCC1=NC=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300031032443	0	46	-1.0	-46.20	385.42	0.63	-45.57
CCC1=NC=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031032443	1	46	-1.0	-46.20	385.42	0.63	-45.57
CC1=CC(=O)C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031032654	0	43	-1.0	-57.20	373.45	1.47	-55.73
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]1	REAL300031032669	0	38	-1.0	-52.37	334.79	-3.36	-55.73
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300031032780	0	41	-1.0	-63.99	375.68	-0.30	-64.29
O=C(NC1CCCC(NC(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300031033049	1	41	-1.0	-67.27	356.78	1.12	-66.15
O=C(NC1CCCC(NC(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300031033172	0	40	-1.0	-59.58	356.30	-4.39	-63.97
O=C(CN1C(=O)[N-]NC1=O)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031033332	0	42	-1.0	-62.33	370.40	-2.72	-65.05
O=C(NC1CCCC(NC(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=NSNC1=O	REAL300031034651	1	42	-1.0	-57.65	371.85	3.78	-53.87
N#CC1=CC([O-])=CC(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=C1	REAL300031034676	1	43	-1.0	-47.18	378.14	2.00	-45.18
CCC1=NC=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031034759	1	46	-1.0	-46.20	385.42	0.63	-45.57
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=COC(=O)[N-]1	REAL300031034777	1	38	-1.0	-48.82	335.48	-2.88	-51.70
O=C(C[N-]C(=O)C(F)(F)F)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031034844	0	41	-1.0	-48.51	370.43	-2.01	-50.52
NC1=NC([O-])=C(CC(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)S1	REAL300031034845	0	43	-1.0	-71.23	381.63	-2.85	-74.08
O=C(NC1CCCC(NC(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=NSNC1=O	REAL300031034854	0	42	-1.0	-52.27	377.99	1.17	-51.10
O=C(NC1CCCC(NC(=O)C2=CC=C([O-])C=C2F)C1)C1=NSNC1=O	REAL300031034869	1	42	-1.0	-54.62	361.81	1.73	-52.89
O=C(NC1CCCC(NC(=O)C2=CC([O-])=CC(=O)O2)C1)C1=NSNC1=O	REAL300031034875	0	41	-1.0	-50.59	360.62	0.86	-49.73
N#CC1=CC=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)C=C1[O-]	REAL300031034882	1	43	-1.0	-49.95	377.44	2.07	-47.88
O=C(NC1CCCC(NC(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=NSNC1=O	REAL300031034885	0	41	-1.0	-61.62	371.71	1.46	-60.16
O=C(CN1N=CC(=O)[N-]C1=O)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031034901	0	43	-1.0	-66.45	380.75	-3.83	-70.28
O=C(NC1CCCC(NC(=O)C2=C[N-]N=CC2=O)C1)C1=NSNC1=O	REAL300031034979	0	40	-1.0	-44.56	348.96	-0.14	-44.70
O=C(NC1CCCC(NC(=O)C2=CC=CC(F)=C2[O-])C1)C1=NSNC1=O	REAL300031034988	0	42	-1.0	-66.38	361.35	3.31	-63.07
O=C(NC1CCCC(NC(=O)C2=CC=CC([O-])=C2F)C1)C1=NSNC1=O	REAL300031035074	1	42	-1.0	-65.64	361.67	1.70	-63.94
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300031035172	0	39	-1.0	-57.44	340.30	-1.89	-59.33
C[PH](C)([O-])C(=O)C(=O)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031035178	0	44	-1.0	-52.62	377.65	-1.00	-53.62
O=C(NC1CCCC(NC(=O)C2=CC(=O)N([O-])C=C2)C1)C1=NSNC1=O	REAL300031035265	0	42	-1.0	-68.80	363.31	2.17	-66.63
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=NC(=O)N[N-]1	REAL300031035289	0	38	-1.0	-48.50	334.89	-3.20	-51.70
O=C(NC1CCCC(NC(=O)C2=C(O)C=CC=C2Cl)C1)C1=NSNC1=O	REAL300031035292	0	42	-1.0	-54.93	376.52	1.96	-52.97
O=C(NC1CCCC(NC(=O)C2=C([O-])C=CC=C2Cl)C1)C1=NSNC1=O	REAL300031035292	1	42	-1.0	-54.93	376.52	1.96	-52.97
O=C(NC1CCCC(NC(=O)C2=CC=CN([O-])C2=O)C1)C1=NSNC1=O	REAL300031035296	0	42	-1.0	-58.68	360.52	2.33	-56.35
O=C(NC1CCCC(NC(=O)C2=C(F)C=CC(O)=C2F)C1)C1=NSNC1=O	REAL300031035325	0	42	-1.0	-57.84	377.83	1.14	-56.70
O=C(NC1CCCC(NC(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=NSNC1=O	REAL300031035325	1	42	-1.0	-57.84	377.83	1.14	-56.70
O=C(NC1CCCC(NC(=O)C2=CC(F)=CC=C2O)C1)C1=NSNC1=O	REAL300031035460	0	42	-1.0	-57.18	361.54	3.32	-53.86
O=C(NC1CCCC(NC(=O)C2=CC(F)=CC=C2[O-])C1)C1=NSNC1=O	REAL300031035460	1	42	-1.0	-57.18	361.54	3.32	-53.86
CC1=CC=NC(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=C1O	REAL300031035523	0	44	-1.0	-67.14	372.68	2.24	-64.90
CC1=CC=NC(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300031035523	1	44	-1.0	-67.14	372.68	2.24	-64.90
O=C(NC1CCCC(NC(=O)C2=CN=CC(O)=C2)C1)C1=NSNC1=O	REAL300031035627	0	41	-1.0	-56.37	352.31	-0.16	-56.53
O=C(NC1CCCC(NC(=O)C2=CN=CC([O-])=C2)C1)C1=NSNC1=O	REAL300031035627	1	41	-1.0	-56.37	352.31	-0.16	-56.53
O=C(NC1CCCC(NC(=O)C2=CC=CC(=S)N2[O-])C1)C1=NSNC1=O	REAL300031035637	0	42	-1.0	-85.04	371.49	4.21	-80.83
O=C(NC1CCCC(NC(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=NSNC1=O	REAL300031035744	0	41	-1.0	-49.53	375.09	-0.02	-49.55
O=C(NC1CCCC(NC(=O)C2=CC=C(O)C=C2Cl)C1)C1=NSNC1=O	REAL300031035782	0	42	-1.0	-53.21	369.78	2.17	-51.04
O=C(NC1CCCC(NC(=O)C2=CC=C([O-])C=C2Cl)C1)C1=NSNC1=O	REAL300031035782	1	42	-1.0	-53.21	369.78	2.17	-51.04
O=C(CC1=NC([O-])=CS1)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031035793	0	41	-1.0	-76.49	371.24	-2.40	-78.89
O=C(NC1CCCC(NC(=O)C2=C(O)C=CC=C2F)C1)C1=NSNC1=O	REAL300031035808	0	42	-1.0	-54.95	367.03	1.58	-53.37
O=C(NC1CCCC(NC(=O)C2=C([O-])C=CC=C2F)C1)C1=NSNC1=O	REAL300031035808	1	42	-1.0	-54.95	367.03	1.58	-53.37
O=C(CN1[N-]C(=O)C=CC1=O)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031035810	0	44	-1.0	-62.83	386.52	-1.73	-64.56
O=C(CC1SC(=O)[N-]C1=O)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031035903	0	42	-1.0	-54.75	378.52	-3.16	-57.91
O=C(NC1CCCC(NC(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=NSNC1=O	REAL300031035928	0	42	-1.0	-57.02	367.89	1.82	-55.20
O=C(NC1CCCC(NC(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300031035934	0	42	-1.0	-60.88	371.15	3.78	-57.10
CC1=CC(=O)C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031035962	0	43	-1.0	-57.20	373.45	1.47	-55.73
O=C(NC1CCCC(NC(=O)C2=CC=CC(=O)N2[O-])C1)C1=NSNC1=O	REAL300031035987	0	42	-1.0	-80.74	360.38	3.17	-77.57
N#CC1=CC=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031036015	0	42	-1.0	-44.59	374.66	-0.26	-44.85
CN1N=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031036061	0	41	-1.0	-55.28	357.62	-1.70	-56.98
O=C(NC1CCCC(NC(=O)C2=C(F)C=CC(O)=C2O)C1)C1=NSNC1=O	REAL300031036110	0	43	-1.0	-62.00	382.20	-0.77	-62.77
O=C(NC1CCCC(NC(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=NSNC1=O	REAL300031036110	1	43	-1.0	-62.00	382.20	-0.77	-62.77
N#CC1=CC=C([O-])C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=C1	REAL300031036119	0	43	-1.0	-54.67	375.96	3.67	-51.00
O=C(NC1CCCC(NC(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=NSNC1=O	REAL300031036202	0	42	-1.0	-53.65	370.15	-0.60	-54.25
O=C(NC1CCCC(NC(=O)C2=CC=C(F)C(O)=C2)C1)C1=NSNC1=O	REAL300031036253	0	42	-1.0	-53.32	363.51	1.69	-51.63
O=C(NC1CCCC(NC(=O)C2=CC=C(F)C([O-])=C2)C1)C1=NSNC1=O	REAL300031036253	1	42	-1.0	-53.32	363.51	1.69	-51.63
O=C(NC1CCCC(NC(=O)C(F)(F)C(F)(F)F)C1)C1=NSNC1=O	REAL300031036263	0	37	-1.0	-40.74	338.20	0.39	-40.35
O=C([N-]C1CCCC(NC(=O)C2=NSNC2=O)C1)C(F)(F)C(F)(F)F	REAL300031036263	1	37	-1.0	-40.74	338.20	0.39	-40.35
O=C(NC1CCCC(NC(=O)C2=CC=C(Cl)C=C2O)C1)C1=NSNC1=O	REAL300031036271	0	42	-1.0	-60.41	371.85	3.77	-56.64
O=C(NC1CCCC(NC(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=NSNC1=O	REAL300031036271	1	42	-1.0	-60.41	371.85	3.77	-56.64
O=C(NC1CCCC(NC(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300031036338	0	40	-1.0	-52.19	353.43	-4.95	-57.14
O=C(NC1CCCC(NC(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300031036338	1	40	-1.0	-49.25	358.51	-4.60	-53.85
NC1=NC=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031036392	1	42	-1.0	-46.80	358.73	-1.02	-47.82
O=C(NC1CCCC(NC(=O)C2=CC=C(F)C([O-])=C2F)C1)C1=NSNC1=O	REAL300031036425	0	42	-1.0	-65.85	367.86	1.78	-64.07
COC1=NC(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300031036467	0	44	-1.0	-54.15	381.03	-3.87	-58.02
O=C(NC1CCCC(NC(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300031036476	0	41	-1.0	-63.38	372.98	1.64	-61.74
O=C(NC1CCCC(NC(=O)C2=CC=C(Cl)C([O-])=C2)C1)C1=NSNC1=O	REAL300031036514	0	42	-1.0	-49.43	373.31	2.17	-47.26
O=C(NC1CCCC(NC(=O)C2=CC=NC=C2[O-])C1)C1=NSNC1=O	REAL300031036523	1	41	-1.0	-68.59	354.84	1.02	-67.57
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300031036529	0	38	-1.0	-53.79	335.05	-1.42	-55.21
CC1=C([O-])N=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)S1	REAL300031036551	1	41	-1.0	-54.95	366.84	-1.78	-56.73
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C([O-])C=C1	REAL300031036643	1	44	-1.0	-52.80	377.62	1.50	-51.30
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300031036662	0	41	-1.0	-63.99	375.68	-0.30	-64.29
O=C(NC1CCCC(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=NSNC1=O	REAL300031036683	1	41	-1.0	-45.84	370.45	1.39	-44.45
O=C(NC1CCCC(NC(=O)C2=CC(=O)NC([O-])=C2)C1)C1=NSNC1=O	REAL300031036703	0	42	-1.0	-52.77	367.84	-3.14	-55.91
CCN1[N-]C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031036760	0	45	-1.0	-52.26	384.85	0.75	-51.51
CN1[N-]C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031036779	0	42	-1.0	-51.53	363.12	-0.18	-51.71
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031036789	0	42	-1.0	-55.17	377.28	-2.08	-57.25
O=C(CC1=CC(=O)N[N-]1)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031036916	1	42	-1.0	-65.56	365.40	-1.69	-67.25
O=C(NC1CCCC(NC(=O)C2=CC=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300031036921	1	42	-1.0	-54.63	363.47	1.72	-52.91
O=C(NC1CCCC(NC(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300031036967	0	42	-1.0	-59.44	374.11	1.39	-58.05
O=C(NC1CCCC(NC(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300031036972	0	41	-1.0	-66.82	371.02	1.48	-65.34
CC1=C(CC(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300031036987	0	48	-1.0	-66.34	408.21	0.73	-65.61
CC1=CN=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300031037023	1	44	-1.0	-68.63	378.23	1.76	-66.87
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=CC([O-])=CS1	REAL300031037044	0	39	-1.0	-64.72	349.53	0.58	-64.14
O=C(NC1CCCC(NC(=O)C2=CN([O-])C(=O)C=C2)C1)C1=NSNC1=O	REAL300031037060	0	42	-1.0	-70.18	362.94	2.17	-68.01
CN1[N-]C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031037212	0	42	-1.0	-51.53	363.12	-0.18	-51.71
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031037219	0	42	-1.0	-55.17	377.28	-2.08	-57.25
O=C(NC1CCCC(NC(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300031037368	0	40	-1.0	-52.19	353.43	-4.95	-57.14
O=C(NC1CCCC(NC(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300031037368	1	40	-1.0	-49.25	358.51	-4.60	-53.85
O=C(CN1[N-]C(=O)C=CC1=O)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031037507	0	44	-1.0	-62.83	386.52	-1.73	-64.56
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300031037514	0	38	-1.0	-53.79	335.05	-1.42	-55.21
O=C(NC1CCCC(NC(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=NSNC1=O	REAL300031037525	0	42	-1.0	-53.65	370.15	-0.60	-54.25
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300031038350	0	41	-1.0	-54.09	354.27	-1.67	-55.76
O=C(CN1C(=O)[N-]NC1=O)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300031038401	0	43	-1.0	-62.93	369.72	-0.08	-63.01
O=C(C1=CN([O-])C(=O)C=C1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300031038781	0	43	-1.0	-74.26	362.82	3.95	-70.31
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300031038860	0	43	-1.0	-53.24	363.40	-0.92	-54.16
O=C(C1=COC(=O)[N-]1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300031038871	1	39	-1.0	-51.03	336.95	-0.26	-51.29
CCN1[N-]C(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031038988	0	46	-1.0	-53.78	387.53	3.03	-50.75
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300031038995	1	43	-1.0	-66.39	364.72	0.97	-65.42
CN1N=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300031039018	0	42	-1.0	-54.42	360.18	0.55	-53.87
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300031039075	0	41	-1.0	-58.97	345.52	3.11	-55.86
O=C(C1=CC(=O)N[N-]1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300031039140	0	40	-1.0	-53.78	341.78	0.32	-53.46
C[PH](C)([O-])C(=O)C(=O)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300031039145	0	45	-1.0	-49.99	376.43	1.59	-48.40
O=C(CCC1=NC(=O)NN1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300031039166	0	45	-1.0	-59.95	381.00	-0.00	-59.95
O=C(CCC1=NC(=O)[N-]N1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300031039166	1	45	-1.0	-59.95	381.00	-0.00	-59.95
O=C(C1=CC=CN([O-])C1=O)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300031039169	0	43	-1.0	-81.67	370.96	4.27	-77.40
CC1SC(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)=NC1=O	REAL300031039190	0	42	-1.0	-55.90	368.41	0.79	-55.11
CC1=C([O-])N=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)S1	REAL300031039190	1	42	-1.0	-55.90	368.41	0.79	-55.11
O=C(C1=CC(=O)N([O-])C=C1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300031039206	0	43	-1.0	-64.70	363.26	3.95	-60.75
O=C(C1=CC=CC(=O)N1[O-])N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300031039231	0	43	-1.0	-92.87	359.69	4.95	-87.92
O=C(CC1=NC([O-])=CS1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300031039345	0	42	-1.0	-76.75	370.57	0.26	-76.49
CC1=CC(=O)C(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300031039499	0	44	-1.0	-57.66	370.20	4.14	-53.52
O=C(C1=NC(=O)N[N-]1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300031039509	0	39	-1.0	-46.47	337.53	-0.65	-47.12
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=NC=CC=C1O)C2	REAL300031039851	0	42	-1.0	-79.26	357.33	3.56	-75.70
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=NC=CC=C1[O-])C2	REAL300031039851	1	42	-1.0	-79.26	357.33	3.56	-75.70
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300031039949	0	41	-1.0	-65.67	354.44	-1.92	-67.59
O=C(CN1C(=O)[N-]NC1=O)N1CCCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300031040041	0	43	-1.0	-75.77	371.78	-0.24	-76.01
N#CC1=CC([O-])=CC(C(=O)N2CCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=C1	REAL300031040851	1	44	-1.0	-59.86	384.52	3.81	-56.05
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=COC(=O)[N-]1)C2	REAL300031040918	1	39	-1.0	-66.49	337.55	0.55	-65.94
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC=C([O-])C=C1F)C2	REAL300031040987	1	43	-1.0	-60.03	368.94	3.47	-56.56
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC([O-])=CC(=O)O1)C2	REAL300031040991	0	42	-1.0	-69.77	365.19	2.88	-66.89
N#CC1=CC=C(C(=O)N2CCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)C=C1[O-]	REAL300031040994	1	44	-1.0	-54.42	382.90	3.83	-50.59
CC1=CC=C([O-])C(C(=O)N2CCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=N1	REAL300031041045	1	45	-1.0	-60.80	378.86	4.15	-56.65
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300031041056	0	41	-1.0	-62.93	356.70	1.99	-60.94
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC=CC(F)=C1[O-])C2	REAL300031041063	0	43	-1.0	-80.79	367.78	3.89	-76.90
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC=CC([O-])=C1F)C2	REAL300031041127	1	43	-1.0	-78.26	368.13	3.44	-74.82
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300031041199	0	40	-1.0	-52.69	342.33	0.43	-52.26
C[PH](C)([O-])C(=O)C(=O)N1CCCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300031041204	0	45	-1.0	-57.09	380.66	1.41	-55.68
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300031041254	0	43	-1.0	-68.43	373.15	4.09	-64.34
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=NNC(=O)[N-]1)C2	REAL300031041271	0	39	-1.0	-71.03	337.11	-1.05	-72.08
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300031041276	0	43	-1.0	-62.25	363.89	3.80	-58.45
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC(F)=CC=C1O)C2	REAL300031041382	0	43	-1.0	-77.26	369.07	3.86	-73.40
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC(F)=CC=C1[O-])C2	REAL300031041382	1	43	-1.0	-77.26	369.07	3.86	-73.40
CC1=CC=NC(C(=O)N2CCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=C1O	REAL300031041424	0	45	-1.0	-60.20	377.55	4.28	-55.92
CC1=CC=NC(C(=O)N2CCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=C1[O-]	REAL300031041424	1	45	-1.0	-60.20	377.55	4.28	-55.92
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CN=CC(O)=C1)C2	REAL300031041484	0	42	-1.0	-66.81	356.96	1.51	-65.30
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CN=CC([O-])=C1)C2	REAL300031041484	1	42	-1.0	-66.81	356.96	1.51	-65.30
O=C(CC1=NC([O-])=CS1)N1CCCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300031041577	0	42	-1.0	-89.85	372.61	0.12	-89.73
CC1=CC(=O)C(C(=O)N2CCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=N[N-]1	REAL300031041683	0	44	-1.0	-61.14	371.63	3.96	-57.18
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300031041698	0	43	-1.0	-80.71	372.24	3.86	-76.85
CN1N=C(C(=O)N2CCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)[N-]C1=O	REAL300031041744	0	42	-1.0	-57.22	359.87	0.63	-56.59
N#CC1=CC=C([O-])C(C(=O)N2CCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=C1	REAL300031041783	0	44	-1.0	-56.85	384.56	4.20	-52.65
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC=C(F)C(O)=C1)C2	REAL300031041873	0	43	-1.0	-58.47	368.30	3.47	-55.00
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC=C(F)C([O-])=C1)C2	REAL300031041873	1	43	-1.0	-58.47	368.30	3.47	-55.00
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300031041923	0	41	-1.0	-53.67	355.96	-1.98	-55.65
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300031041923	1	41	-1.0	-48.20	358.23	-2.21	-50.41
NC1=NC=C(C(=O)N2CCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)[N-]1	REAL300031041959	1	43	-1.0	-78.46	370.77	0.62	-77.84
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC=NC=C1[O-])C2	REAL300031042042	0	42	-1.0	-62.75	358.85	1.82	-60.93
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300031042047	0	39	-1.0	-75.45	337.37	0.41	-75.04
CC1=C([O-])N=C(C(=O)N2CCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)S1	REAL300031042063	1	42	-1.0	-67.72	369.71	1.24	-66.48
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300031042162	0	43	-1.0	-63.23	373.39	-0.80	-64.03
CCN1[N-]C(C(=O)N2CCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300031042204	0	46	-1.0	-60.94	386.02	3.07	-57.87
CN1[N-]C(C(=O)N2CCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300031042220	0	43	-1.0	-69.81	365.82	2.19	-67.62
O=C(CC1=CC(=O)N[N-]1)N1CCCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300031042301	1	43	-1.0	-77.33	366.76	0.84	-76.49
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC=C([O-])C(F)=C1)C2	REAL300031042305	1	43	-1.0	-62.24	368.24	3.46	-58.78
CC1=CN=C(C(=O)N2CCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)C([O-])=C1	REAL300031042367	1	45	-1.0	-61.38	378.69	4.20	-57.18
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC([O-])=CS1)C2	REAL300031042380	0	40	-1.0	-61.50	352.78	2.33	-59.17
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300031042391	0	43	-1.0	-67.85	372.91	4.08	-63.77
CN1[N-]C(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031042488	0	43	-1.0	-53.35	365.80	2.09	-51.26
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300031042583	0	41	-1.0	-44.98	356.76	-1.60	-46.58
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1	REAL300031042583	1	41	-1.0	-44.98	356.76	-1.60	-46.58
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300031042689	0	39	-1.0	-57.35	336.81	0.67	-56.68
C[C@]12CN(C(=O)C3=COC(=O)[N-]3)C[C@@]1(C)CN(C(=O)C1=NSNC1=O)C2	REAL300031043429	1	42	-1.0	-54.27	350.03	0.53	-53.74
C[C@]12CN(C(=O)CC3=CC(=O)N[N-]3)C[C@@]1(C)CN(C(=O)C1=NSNC1=O)C2	REAL300031043507	1	46	-1.0	-63.14	377.76	1.05	-62.09
CN1N=C(C(=O)N2C[C@@]3(C)CN(C(=O)C4=NSNC4=O)C[C@@]3(C)C2)[N-]C1=O	REAL300031043516	0	45	-1.0	-69.39	372.20	0.81	-68.58
C[C@@]12CN(C(=O)C3=NSNC3=O)C[C@]1(C)CN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300031043548	0	44	-1.0	-51.34	367.78	2.20	-49.14
C[C@]12CN(C(=O)C3=CC(=O)N[N-]3)C[C@@]1(C)CN(C(=O)C1=NSNC1=O)C2	REAL300031043582	0	43	-1.0	-61.34	354.89	0.65	-60.69
C[C@@]12CN(C(=O)C3=NC(=O)N[N-]3)C[C@]1(C)CN(C(=O)C1=NSNC1=O)C2	REAL300031043753	0	42	-1.0	-53.40	348.66	-0.15	-53.55
C[C@@]12CN(C(=O)C3=NSNC3=O)C[C@]1(C)CN(C(=O)C1=NC=CC=C1[O-])C2	REAL300031044047	1	45	-1.0	-66.06	365.85	4.30	-61.76
C[C@]12CN(C(=O)C3=COC(=O)[N-]3)C[C@@]1(C)CN(C(=O)C1=NSNC1=O)C2	REAL300031044522	1	42	-1.0	-54.27	350.03	0.53	-53.74
C[C@@]12CN(C(=O)C3=NSNC3=O)C[C@]1(C)CN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300031044593	0	44	-1.0	-51.34	367.78	2.20	-49.14
C[C@]12CN(C(=O)C3=CC(=O)N[N-]3)C[C@@]1(C)CN(C(=O)C1=NSNC1=O)C2	REAL300031044652	0	43	-1.0	-61.34	354.89	0.65	-60.69
C[C@@]12CN(C(=O)C3=NC(=O)N[N-]3)C[C@]1(C)CN(C(=O)C1=NSNC1=O)C2	REAL300031044686	0	42	-1.0	-53.40	348.66	-0.15	-53.55
C[C@@]12CN(C(=O)C3=NSNC3=O)C[C@]1(C)CN(C(=O)C1=CN=CC([O-])=C1)C2	REAL300031044794	1	45	-1.0	-69.32	366.59	1.65	-67.67
CN1N=C(C(=O)N2C[C@@]3(C)CN(C(=O)C4=NSNC4=O)C[C@@]3(C)C2)[N-]C1=O	REAL300031044902	0	45	-1.0	-69.39	372.20	0.81	-68.58
C[C@@]12CN(C(=O)C3=NSNC3=O)C[C@]1(C)CN(C(=O)C1=CC=NC=C1[O-])C2	REAL300031045032	0	45	-1.0	-65.58	365.82	3.03	-62.55
C[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@]1(C)CN(C(=O)C1=NSNC1=O)C2	REAL300031045035	0	42	-1.0	-62.44	349.86	0.77	-61.67
CN1[N-]C(C(=O)N2C[C@]3(C)CN(C(=O)C4=NSNC4=O)C[C@]3(C)C2)=CC1=O	REAL300031045122	0	46	-1.0	-54.60	376.74	2.36	-52.24
C[C@]12CN(C(=O)CC3=CC(=O)N[N-]3)C[C@@]1(C)CN(C(=O)C1=NSNC1=O)C2	REAL300031045168	1	46	-1.0	-63.14	377.76	1.05	-62.09
C[C@@]12CN(C(=O)C3=CC([O-])=CS3)C[C@]1(C)CN(C(=O)C1=NSNC1=O)C2	REAL300031045212	0	43	-1.0	-73.68	362.29	2.41	-71.27
CN1[N-]C(C(=O)N2C[C@]3(C)CN(C(=O)C4=NSNC4=O)C[C@]3(C)C2)=CC1=O	REAL300031045271	0	46	-1.0	-54.60	376.74	2.36	-52.24
C[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@]1(C)CN(C(=O)C1=NSNC1=O)C2	REAL300031045380	0	42	-1.0	-62.44	349.86	0.77	-61.67
O=C(NC[C@H]1C[C@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300031046264	1	44	-1.0	-49.45	387.27	0.18	-49.27
O=C(CCCN1C(=O)[N-]NC1=O)N[C@H]1C[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300031046903	0	45	-1.0	-59.00	399.16	-2.14	-61.14
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@H]1C[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300031047119	0	43	-1.0	-57.75	386.84	-4.85	-62.60
CC(=O)[N-]C1=NC(C(=O)N[C@H]2C[C@H](CNC(=O)C3=NSNC3=O)C2)=CS1	REAL300031047120	1	41	-1.0	-47.34	381.10	-1.34	-48.68
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@H]1C[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300031047278	1	44	-1.0	-61.82	392.54	-0.70	-62.52
COC1=C(C(=O)N[C@H]2C[C@H](CNC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031047387	1	42	-1.0	-56.34	376.22	-3.68	-60.02
O=C(NC[C@H]1C[C@H](NC(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300031047501	0	37	-1.0	-56.99	342.46	-5.00	-61.99
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1C[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300031047618	0	39	-1.0	-58.89	356.65	-3.34	-62.23
O=C(NC[C@H]1C[C@H](NC(=O)C2=NC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300031049971	0	35	-1.0	-50.42	325.50	-4.21	-54.63
O=C(NC[C@@H]1C[C@@H](NC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=NSNC1=O	REAL300031049996	1	40	-1.0	-51.89	368.09	0.12	-51.77
O=C(NC[C@@H]1C[C@@H](NC(=O)C2=CN=C(C=N[O-])S2)C1)C1=NSNC1=O	REAL300031050134	0	38	-1.0	-65.80	366.27	-1.32	-67.12
COC1=NC(C(=O)N[C@H]2C[C@H](CNC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300031050154	0	41	-1.0	-56.67	371.69	-4.90	-61.57
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=NC=CC=C1[O-]	REAL300031050413	1	38	-1.0	-64.84	342.95	0.54	-64.30
O=C(CCN1C=C[N-]C(=O)C1=O)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031050533	1	44	-1.0	-64.34	392.54	-0.72	-65.06
CC(=O)[N-]C1=NC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=CS1	REAL300031050545	1	41	-1.0	-49.03	381.04	-1.35	-50.38
O=C(N[C@H]1C[C@H](CNC(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300031050577	0	37	-1.0	-57.98	342.51	-4.98	-62.96
COC1=C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031050631	1	42	-1.0	-57.92	376.03	-3.67	-61.59
O=C(CN1C(=O)[N-]NC1=O)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031050800	0	39	-1.0	-59.00	356.57	-3.33	-62.33
O=C(CCCN1C(=O)[N-]NC1=O)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031051790	0	45	-1.0	-59.44	399.12	-2.13	-61.57
O=C(N[C@H]1C[C@H](CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300031051997	1	44	-1.0	-51.49	386.86	0.24	-51.25
O=C(CCC1=NNC(=O)[N-]C1=O)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031052850	0	43	-1.0	-58.30	386.85	-4.85	-63.15
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300031052860	0	41	-1.0	-59.79	373.84	2.42	-57.37
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC(Cl)=CC=C1[O-]	REAL300031052874	1	39	-1.0	-62.36	362.50	2.73	-59.63
N#CC1=CC([O-])=CC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=C1	REAL300031052905	1	40	-1.0	-50.03	368.73	0.97	-49.06
NC1=CC=C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C([O-])=C1Cl	REAL300031052932	0	41	-1.0	-68.13	374.29	0.72	-67.41
NC1=CC(=O)[N-]C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=N1	REAL300031053959	0	39	-1.0	-62.07	355.11	-3.49	-65.56
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(Cl)=C1	REAL300031054029	0	39	-1.0	-55.55	363.87	1.16	-54.39
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC(F)=CC=C1[O-]	REAL300031054036	1	39	-1.0	-61.78	352.14	2.29	-59.49
CC1=CC=NC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300031054128	1	41	-1.0	-64.55	363.30	1.24	-63.31
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CN=CC([O-])=C1	REAL300031054299	1	38	-1.0	-59.92	342.96	-1.20	-61.12
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=CC(=S)N1[O-]	REAL300031054312	0	39	-1.0	-89.55	362.22	3.19	-86.36
NC1=CC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=CC([O-])=C1Cl	REAL300031054468	1	41	-1.0	-54.06	376.59	-0.91	-54.97
O=C(N[C@H]1C[C@H](CNC(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=NSNC1=O	REAL300031054473	0	38	-1.0	-49.71	361.34	-0.63	-50.34
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C=C1Cl	REAL300031054535	1	39	-1.0	-56.37	360.42	1.12	-55.25
N#CC1=CC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=C([O-])C=C1N	REAL300031054538	0	42	-1.0	-60.99	379.44	0.51	-60.48
O=C(CC1=NC([O-])=CS1)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031054550	0	38	-1.0	-72.81	357.41	-3.00	-75.81
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=C([O-])C=CC=C1F	REAL300031054572	1	39	-1.0	-58.60	357.63	0.58	-58.02
O=C(CN1[N-]C(=O)C=CC1=O)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031054575	0	41	-1.0	-59.74	372.67	-2.34	-62.08
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C(F)C=C1[O-]	REAL300031054577	0	39	-1.0	-65.58	352.18	2.29	-63.29
CC1=CC=C(F)C([O-])=C1C(=O)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031054625	0	42	-1.0	-67.12	377.15	1.14	-65.98
O=C(CC1SC(=O)[N-]C1=O)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031054714	0	39	-1.0	-53.62	364.68	-3.78	-57.40
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(F)=C1F	REAL300031054747	0	39	-1.0	-60.17	358.49	0.77	-59.40
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300031054750	1	40	-1.0	-43.22	367.48	-0.59	-43.81
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=CC(Cl)=C1[O-]	REAL300031054756	0	39	-1.0	-65.63	361.77	2.76	-62.87
CC1=CC(=O)C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031054793	0	40	-1.0	-55.68	359.62	0.88	-54.80
O=C(C=C([O-])C1=CC=C(O)C=C1)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031054799	0	44	-1.0	-68.17	389.40	0.74	-67.43
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CN(C(=O)C1=NNC(=O)[N-]C1=O)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031091949	0	40	-1.0	-52.88	350.99	-2.04	-54.92
CN(C(=O)CN1C(=O)[N-]NC1=O)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031092033	0	42	-1.0	-50.12	368.42	-1.15	-51.27
CN(C(=O)C1=CN([O-])C(=O)C=C1)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031092624	0	42	-1.0	-59.74	373.89	3.34	-56.40
CN(C(=O)C1=CC(=O)NC([O-])=C1)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031092738	0	42	-1.0	-44.87	370.51	-1.70	-46.57
CN(C(=O)C1=COC(=O)[N-]1)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031092749	1	38	-1.0	-47.55	341.66	0.00	-47.55
CCN1[N-]C(C(=O)N(C)C(CNC(=O)C2=NSNC2=O)C2CC2)=CC1=O	REAL300031092919	0	45	-1.0	-50.99	384.10	2.70	-48.29
CN(C(=O)CC1=CC(=O)N[N-]1)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031092927	1	42	-1.0	-55.02	363.41	-0.06	-55.08
CN(C(=O)C1=CC=CC(=S)N1[O-])C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031092945	0	42	-1.0	-59.06	381.47	3.89	-55.17
CN(C(=O)CC1SC(=O)[N-]C1=O)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031092954	0	42	-1.0	-44.41	376.54	-1.54	-45.95
CN(C(=O)C1=NN(C)C(=O)[N-]1)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031092970	0	41	-1.0	-53.09	363.18	0.06	-53.03
CN(C(=O)C1=C[N-]N=CC1=O)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031093059	0	40	-1.0	-43.70	357.50	1.24	-42.46
CN(C(=O)C1=CC(=O)N[N-]1)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031093158	0	39	-1.0	-47.90	339.55	0.05	-47.85
CN(C(=O)C(=O)[PH](C)(C)[O-])C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031093163	0	44	-1.0	-44.07	378.04	1.23	-42.84
CN(C(=O)C1=CC=CN([O-])C1=O)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031093194	0	42	-1.0	-70.98	373.49	3.32	-67.66
CC1SC(C(=O)N(C)C(CNC(=O)C2=NSNC2=O)C2CC2)=NC1=O	REAL300031093222	0	41	-1.0	-53.44	372.16	0.55	-52.89
CC1=C([O-])N=C(C(=O)N(C)C(CNC(=O)C2=NSNC2=O)C2CC2)S1	REAL300031093222	1	41	-1.0	-53.44	372.16	0.55	-52.89
CN(C(=O)C1=CC(=O)C=C(Cl)N1)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031093236	0	41	-1.0	-43.58	374.18	3.31	-40.27
CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031093236	1	41	-1.0	-43.58	374.18	3.31	-40.27
CN(C(=O)C1=CC(=O)N([O-])C=C1)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031093253	0	42	-1.0	-60.95	374.14	3.36	-57.59
CN(C(=O)C1=CC=CC(=O)N1[O-])C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031093286	0	42	-1.0	-56.08	370.34	3.24	-52.84
CN(C(=O)CC1=C([O-])N=C(N)S1)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031093409	0	43	-1.0	-65.95	384.07	-1.65	-67.60
CN(C(=O)CC1=NC([O-])=CS1)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031093454	0	41	-1.0	-66.88	370.11	-0.78	-67.66
CCC1=NC=C(C(=O)N(C)C(CNC(=O)C2=NSNC2=O)C2CC2)C(=O)N1	REAL300031093472	0	46	-1.0	-54.23	398.29	1.52	-52.71
CCC1=NC=C(C(=O)N(C)C(CNC(=O)C2=NSNC2=O)C2CC2)C(=O)[N-]1	REAL300031093472	1	46	-1.0	-54.23	398.29	1.52	-52.71
CC1=CC(=O)C(C(=O)N(C)C(CNC(=O)C2=NSNC2=O)C2CC2)=N[N-]1	REAL300031093683	0	43	-1.0	-49.27	373.02	3.47	-45.80
CN(C(=O)C1=NNC(=O)[N-]1)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031093698	0	38	-1.0	-51.03	341.70	-1.62	-52.65
CN(C(=O)C1=CN=C(C=N[O-])S1)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031093809	0	41	-1.0	-63.32	372.37	0.98	-62.34
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=NC=CC=C1[O-])C1CC1	REAL300031094078	1	41	-1.0	-61.91	357.46	3.27	-58.64
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=NNC(=O)[N-]C1=O)C1CC1	REAL300031094201	0	40	-1.0	-54.22	358.61	-2.14	-56.36
CN(C(=O)C1=NSNC1=O)C(CNC(=O)CN1C(=O)[N-]NC1=O)C1CC1	REAL300031094361	0	42	-1.0	-53.95	372.75	-0.47	-54.42
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC(Cl)=CC=C1[O-])C1CC1	REAL300031095680	1	42	-1.0	-57.55	376.95	5.50	-52.05
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC([O-])=CC(C#N)=C1)C1CC1	REAL300031095705	1	43	-1.0	-52.36	383.72	3.80	-48.56
CCC1=NC=C(C(=O)NCC(C2CC2)N(C)C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031095788	1	46	-1.0	-58.50	388.14	2.18	-56.32
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=COC(=O)[N-]1)C1CC1	REAL300031095806	1	38	-1.0	-55.40	341.03	-1.07	-56.47
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C[N-]C(=O)C(F)(F)F)C1CC1	REAL300031095873	0	41	-1.0	-50.11	377.19	-0.19	-50.30
CN(C(=O)C1=NSNC1=O)C(CNC(=O)CC1=C([O-])N=C(N)S1)C1CC1	REAL300031095874	0	43	-1.0	-65.22	380.88	-0.83	-66.05
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=C(F)C=C([O-])C=C1F)C1CC1	REAL300031095883	0	42	-1.0	-50.37	380.34	3.40	-46.97
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=C([O-])C=C1F)C1CC1	REAL300031095898	1	42	-1.0	-53.51	367.37	3.53	-49.98
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC([O-])=CC(=O)O1)C1CC1	REAL300031095904	0	41	-1.0	-53.40	365.72	2.59	-50.81
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=C(C#N)C([O-])=C1)C1CC1	REAL300031095911	1	43	-1.0	-55.56	383.00	3.87	-51.69
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC(Cl)=NC=C1[O-])C1CC1	REAL300031095914	0	41	-1.0	-53.59	372.37	3.59	-50.00
CN(C(=O)C1=NSNC1=O)C(CNC(=O)CN1N=CC(=O)[N-]C1=O)C1CC1	REAL300031095930	0	43	-1.0	-60.36	383.07	-1.59	-61.95
CN(C(=O)C1=NSNC1=O)C(CNC(=O)CCC1=NC(=O)[N-]N1)C1CC1	REAL300031095992	1	44	-1.0	-62.23	382.99	-0.40	-62.63
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=C[N-]N=CC1=O)C1CC1	REAL300031096008	0	40	-1.0	-48.81	350.09	2.08	-46.73
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=CC(F)=C1[O-])C1CC1	REAL300031096017	0	42	-1.0	-64.38	368.10	5.13	-59.25
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=CC([O-])=C1F)C1CC1	REAL300031096103	1	42	-1.0	-62.29	368.42	3.51	-58.78
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC(=O)N[N-]1)C1CC1	REAL300031096201	0	39	-1.0	-51.62	345.41	-0.18	-51.80
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C(=O)[PH](C)(C)[O-])C1CC1	REAL300031096207	0	44	-1.0	-52.10	377.57	1.29	-50.81
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC(=O)N([O-])C=C1)C1CC1	REAL300031096294	0	42	-1.0	-64.97	368.88	3.98	-60.99
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=NC(=O)N[N-]1)C1CC1	REAL300031096318	0	38	-1.0	-52.98	339.99	-1.47	-54.45
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=C(O)C=CC=C1Cl)C1CC1	REAL300031096321	0	42	-1.0	-55.09	382.08	3.78	-51.31
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=C([O-])C=CC=C1Cl)C1CC1	REAL300031096321	1	42	-1.0	-55.09	382.08	3.78	-51.31
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=CN([O-])C1=O)C1CC1	REAL300031096325	0	42	-1.0	-70.35	366.09	4.17	-66.18
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=C(F)C=CC(O)=C1F)C1CC1	REAL300031096354	0	42	-1.0	-59.46	378.96	3.38	-56.08
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=C(F)C=CC([O-])=C1F)C1CC1	REAL300031096354	1	42	-1.0	-59.46	378.96	3.38	-56.08
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC(F)=CC=C1O)C1CC1	REAL300031096489	0	42	-1.0	-57.36	366.64	5.04	-52.32
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC(F)=CC=C1[O-])C1CC1	REAL300031096489	1	42	-1.0	-57.36	366.64	5.04	-52.32
CC1=CC=NC(C(=O)NCC(C2CC2)N(C)C(=O)C2=NSNC2=O)=C1O	REAL300031096552	0	44	-1.0	-62.43	378.24	4.05	-58.38
CC1=CC=NC(C(=O)NCC(C2CC2)N(C)C(=O)C2=NSNC2=O)=C1[O-]	REAL300031096552	1	44	-1.0	-62.43	378.24	4.05	-58.38
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CN=CC(O)=C1)C1CC1	REAL300031096656	0	41	-1.0	-54.82	357.43	1.56	-53.26
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CN=CC([O-])=C1)C1CC1	REAL300031096656	1	41	-1.0	-54.82	357.43	1.56	-53.26
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=CC(=S)N1[O-])C1CC1	REAL300031096666	0	42	-1.0	-77.90	378.25	6.04	-71.86
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=C([O-])C(Cl)=N1)C1CC1	REAL300031096773	0	41	-1.0	-50.07	375.77	2.11	-47.96
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=C(O)C=C1Cl)C1CC1	REAL300031096811	0	42	-1.0	-52.79	375.33	3.96	-48.83
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=C([O-])C=C1Cl)C1CC1	REAL300031096811	1	42	-1.0	-52.79	375.33	3.96	-48.83
CN(C(=O)C1=NSNC1=O)C(CNC(=O)CC1=NC([O-])=CS1)C1CC1	REAL300031096822	0	41	-1.0	-69.05	373.58	-0.16	-69.21
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=C(O)C=CC=C1F)C1CC1	REAL300031096837	0	42	-1.0	-62.70	372.58	3.41	-59.29
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=C([O-])C=CC=C1F)C1CC1	REAL300031096837	1	42	-1.0	-62.70	372.58	3.41	-59.29
CN(C(=O)C1=NSNC1=O)C(CNC(=O)CN1[N-]C(=O)C=CC1=O)C1CC1	REAL300031096839	0	44	-1.0	-55.90	381.34	0.70	-55.20
CN(C(=O)C1=NSNC1=O)C(CNC(=O)CC1SC(=O)[N-]C1=O)C1CC1	REAL300031096932	0	42	-1.0	-48.49	379.19	-1.02	-49.51
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=C([O-])C(F)=C1F)C1CC1	REAL300031096957	0	42	-1.0	-54.50	372.99	3.51	-50.99
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=CC(Cl)=C1[O-])C1CC1	REAL300031096963	0	42	-1.0	-59.74	377.91	5.60	-54.14
CC1=CC(=O)C(C(=O)NCC(C2CC2)N(C)C(=O)C2=NSNC2=O)=N[N-]1	REAL300031096991	0	43	-1.0	-54.81	374.13	3.62	-51.19
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=CC(=O)N1[O-])C1CC1	REAL300031097016	0	42	-1.0	-75.73	367.14	5.00	-70.73
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=C(C#N)[N-]C1=O)C1CC1	REAL300031097044	0	42	-1.0	-53.54	372.99	1.69	-51.85
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=NN(C)C(=O)[N-]1)C1CC1	REAL300031097090	0	41	-1.0	-57.24	364.31	0.13	-57.11
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=C(F)C=CC(O)=C1O)C1CC1	REAL300031097139	0	43	-1.0	-63.46	383.33	1.48	-61.98
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=C(F)C=CC(O)=C1[O-])C1CC1	REAL300031097139	1	43	-1.0	-63.46	383.33	1.48	-61.98
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC(C#N)=CC=C1[O-])C1CC1	REAL300031097148	0	43	-1.0	-54.71	381.03	5.40	-49.31
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CN([O-])C(=O)NC1=O)C1CC1	REAL300031097231	0	42	-1.0	-54.44	371.34	1.62	-52.82
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=C(F)C(O)=C1)C1CC1	REAL300031097282	0	42	-1.0	-59.66	369.08	3.49	-56.17
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=C(F)C([O-])=C1)C1CC1	REAL300031097282	1	42	-1.0	-59.66	369.08	3.49	-56.17
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C(F)(F)C(F)(F)F)C1CC1	REAL300031097292	0	37	-1.0	-50.43	346.27	1.96	-48.47
CN(C(=O)C1=NSNC1=O)C(C[N-]C(=O)C(F)(F)C(F)(F)F)C1CC1	REAL300031097292	1	37	-1.0	-50.43	346.27	1.96	-48.47
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=C(Cl)C=C1O)C1CC1	REAL300031097300	0	42	-1.0	-58.87	377.40	5.59	-53.28
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=C(Cl)C=C1[O-])C1CC1	REAL300031097300	1	42	-1.0	-58.87	377.40	5.59	-53.28
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=NC(=O)[N-]C(=O)N1)C1CC1	REAL300031097367	0	40	-1.0	-56.58	360.18	-3.14	-59.72
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=NC(=O)NC(=O)[N-]1)C1CC1	REAL300031097367	1	40	-1.0	-49.61	360.82	-2.38	-51.99
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CN=C(N)[N-]C1=O)C1CC1	REAL300031097421	1	42	-1.0	-58.95	361.44	0.54	-58.41
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=C(F)C([O-])=C1F)C1CC1	REAL300031097454	0	42	-1.0	-61.66	372.96	3.48	-58.18
COC1=NC(C(=O)NCC(C2CC2)N(C)C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300031097496	0	44	-1.0	-53.91	387.78	-2.06	-55.97
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=NC=CC(Cl)=C1[O-])C1CC1	REAL300031097505	0	41	-1.0	-58.42	374.11	3.88	-54.54
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=C(Cl)C([O-])=C1)C1CC1	REAL300031097543	0	42	-1.0	-55.75	378.88	3.97	-51.78
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=NC=C1[O-])C1CC1	REAL300031097552	1	41	-1.0	-58.85	355.97	3.25	-55.60
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300031097558	0	38	-1.0	-55.54	340.15	0.30	-55.24
CC1=C([O-])N=C(C(=O)NCC(C2CC2)N(C)C(=O)C2=NSNC2=O)S1	REAL300031097580	1	41	-1.0	-60.88	371.95	-0.05	-60.93
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C(=O)C1=CC=C([O-])C=C1)C1CC1	REAL300031097672	1	44	-1.0	-55.39	380.43	3.05	-52.34
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CN=C(C=N[O-])S1)C1CC1	REAL300031097691	0	41	-1.0	-63.11	374.93	1.69	-61.42
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CC1	REAL300031097712	1	41	-1.0	-48.47	377.21	3.21	-45.26
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC(=O)NC([O-])=C1)C1CC1	REAL300031097732	0	42	-1.0	-51.46	368.97	-0.92	-52.38
CCN1[N-]C(C(=O)NCC(C2CC2)N(C)C(=O)C2=NSNC2=O)=CC1=O	REAL300031097789	0	45	-1.0	-54.64	389.95	2.46	-52.18
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC(=O)N(C)[N-]1)C1CC1	REAL300031097808	0	42	-1.0	-53.94	368.22	1.53	-52.41
CN(C(=O)C1=NSNC1=O)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300031097818	0	42	-1.0	-54.59	384.04	-0.25	-54.84
CN(C(=O)C1=NSNC1=O)C(CNC(=O)CC1=CC(=O)N[N-]1)C1CC1	REAL300031097945	1	42	-1.0	-57.56	367.73	0.56	-57.00
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=C([O-])C(F)=C1)C1CC1	REAL300031097950	1	42	-1.0	-55.95	369.04	3.52	-52.43
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC(F)=C([O-])C(F)=C1)C1CC1	REAL300031097996	0	42	-1.0	-55.74	375.25	3.59	-52.15
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC=NC(Cl)=C1[O-])C1CC1	REAL300031098001	0	41	-1.0	-56.67	371.69	3.61	-53.06
CC1=C(CC(=O)NCC(C2CC2)N(C)C(=O)C2=NSNC2=O)C(=O)N(C)[N-]1	REAL300031098016	0	48	-1.0	-57.23	410.56	2.98	-54.25
CC1=CN=C(C(=O)NCC(C2CC2)N(C)C(=O)C2=NSNC2=O)C([O-])=C1	REAL300031098052	1	44	-1.0	-63.44	378.90	3.91	-59.53
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC([O-])=CS1)C1CC1	REAL300031098073	0	39	-1.0	-59.02	356.28	2.37	-56.65
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CN([O-])C(=O)C=C1)C1CC1	REAL300031098089	0	42	-1.0	-64.11	368.51	3.99	-60.12
CN(C(=O)C1=CC(=O)N(C)[N-]1)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031098241	0	42	-1.0	-49.68	368.25	1.48	-48.20
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031098248	0	42	-1.0	-51.84	383.50	-0.69	-52.53
CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031098397	0	40	-1.0	-50.34	352.52	-2.22	-52.56
CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031098397	1	40	-1.0	-43.37	357.95	-1.89	-45.26
CN(C(=O)CN1[N-]C(=O)C=CC1=O)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031098536	0	44	-1.0	-50.67	384.53	-0.16	-50.83
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031098543	0	38	-1.0	-52.17	341.50	-0.02	-52.19
CN(C(=O)C1=CN([O-])C(=O)NC1=O)C(CNC(=O)C1=NSNC1=O)C1CC1	REAL300031098554	0	42	-1.0	-50.78	377.05	0.67	-50.11
CC(CN(C)C(=O)C1=CN=C(C2CC2)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300031099113	1	43	-1.0	-71.47	379.57	0.98	-70.49
CC(CN(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)NC(=O)C1=NSNC1=O	REAL300031099419	0	43	-1.0	-47.43	373.49	0.37	-47.06
CC(CN(C)C(=O)CCCN1C(=O)[N-]NC1=O)NC(=O)C1=NSNC1=O	REAL300031099969	0	44	-1.0	-66.18	384.54	-0.92	-67.10
CC(C)CN1[N-]C(CC(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)=CC1=O	REAL300031100165	0	50	-1.0	-72.15	421.42	3.18	-68.97
CC(CN(C)C(=O)CCC1=NNC(=O)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300031100259	0	42	-1.0	-63.00	373.52	-3.66	-66.66
CC(=O)[N-]C1=NC(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)=CS1	REAL300031100260	1	40	-1.0	-51.62	363.79	0.44	-51.18
CC(CN(C)C(=O)CCN1C=C[N-]C(=O)C1=O)NC(=O)C1=NSNC1=O	REAL300031100474	1	43	-1.0	-64.48	379.26	0.49	-63.99
COC1=C(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)NC(=O)[N-]C1=O	REAL300031100619	1	41	-1.0	-59.03	367.50	-3.88	-62.91
CC(CN(C)C(=O)C1=NNC(=O)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300031100770	0	36	-1.0	-65.81	325.64	-3.56	-69.37
CC(CN(C)C(=O)CN1C(=O)[N-]NC1=O)NC(=O)C1=NSNC1=O	REAL300031100911	0	38	-1.0	-68.47	342.02	-2.17	-70.64
CC1=C(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)C(=O)[N-]C(C(C)C)=N1	REAL300031100954	1	48	-1.0	-53.83	406.35	1.42	-52.41
CC(CN(C)C(=O)CN1[N-]C=C2C1=NC=NC2=O)NC(=O)C1=NSNC1=O	REAL300031101091	0	42	-1.0	-49.24	371.43	0.39	-48.85
CC(CN(C)C(=O)C1=CC=CN([O-])C1=O)NC(=O)C1=NSNC1=O	REAL300031102974	0	38	-1.0	-88.73	343.68	2.16	-86.57
CSC1=NC=C(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031103000	1	40	-1.0	-71.27	369.79	-0.11	-71.38
CC1=C([O-])N=C(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)S1	REAL300031103028	1	37	-1.0	-58.59	340.36	-0.63	-59.22
CC(CN(C)C(=O)C1=CC(=O)C=C(Cl)[N-]1)NC(=O)C1=NSNC1=O	REAL300031103052	1	37	-1.0	-45.04	342.67	2.28	-42.76
CC(CN(C)C(=O)C1=CC(=O)N([O-])C=C1)NC(=O)C1=NSNC1=O	REAL300031103080	0	38	-1.0	-78.26	335.74	1.95	-76.31
CC(CN(C)C(=O)C1=CC=CC(=O)N1[O-])NC(=O)C1=NSNC1=O	REAL300031103155	0	38	-1.0	-66.33	342.55	2.13	-64.20
CC(CN(C)C(=O)C[N-]C(=O)C(F)(F)F)NC(=O)C1=NSNC1=O	REAL300031103374	0	37	-1.0	-58.85	347.75	-1.88	-60.73
CC(CN(C)C(=O)CC1=C([O-])N=C(N)S1)NC(=O)C1=NSNC1=O	REAL300031103375	0	39	-1.0	-74.43	357.67	-2.68	-77.11
CC(CN(C)C(=O)CC1=NC([O-])=CS1)NC(=O)C1=NSNC1=O	REAL300031103454	0	37	-1.0	-82.83	342.85	-1.80	-84.63
CCC1=NC=C(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031103486	1	42	-1.0	-55.34	363.89	0.32	-55.02
CC(CN(C)C(=O)CN1N=CC(=O)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300031103500	0	39	-1.0	-74.18	352.36	-3.29	-77.47
CC(CN(C)C(=O)C1=C(Cl)C(=O)[N-]S1)NC(=O)C1=NSNC1=O	REAL300031103600	0	34	-1.0	-61.88	329.32	-0.87	-62.75
COCC1=NC=C(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)C(=O)N1	REAL300031103740	0	43	-1.0	-56.53	376.82	-1.43	-57.96
COCC1=NC=C(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031103740	1	43	-1.0	-56.53	376.82	-1.43	-57.96
CC(CN(C)C(=O)C1=CN=C(CC2CC2)NC1=O)NC(=O)C1=NSNC1=O	REAL300031103755	0	46	-1.0	-55.41	395.05	1.88	-53.53
CC(CN(C)C(=O)C1=CN=C(CC2CC2)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300031103755	1	46	-1.0	-55.41	395.05	1.88	-53.53
CC1=CC(=O)C(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)=N[N-]1	REAL300031103863	0	39	-1.0	-62.39	342.43	2.34	-60.05
CC(CN(C)C(=O)C1=NNC(=O)[N-]1)NC(=O)C1=NSNC1=O	REAL300031103887	0	34	-1.0	-62.76	308.82	-2.97	-65.73
CC(CN(C)C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)NC(=O)C1=NSNC1=O	REAL300031103918	0	39	-1.0	-56.83	349.42	0.91	-55.92
CC(CN(C)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)NC(=O)C1=NSNC1=O	REAL300031103918	1	39	-1.0	-56.83	349.42	0.91	-55.92
CC(CN(C)C(=O)C1=CN=C(C=N[O-])S1)NC(=O)C1=NSNC1=O	REAL300031104081	0	37	-1.0	-73.27	347.23	-0.59	-73.86
COC1=NC(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300031104102	0	40	-1.0	-64.22	353.16	-2.80	-67.02
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=NC=CC=C1[O-]	REAL300031104359	1	37	-1.0	-71.13	326.24	2.01	-69.12
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300031104490	1	43	-1.0	-62.64	374.89	0.84	-61.80
CC(=O)[N-]C1=NC(C(=O)NC(C)CN(C)C(=O)C2=NSNC2=O)=CS1	REAL300031104508	1	40	-1.0	-48.76	364.31	0.14	-48.62
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=NNC(=O)[N-]C1=O	REAL300031104549	0	36	-1.0	-61.77	325.72	-3.50	-65.27
COC1=C(C(=O)NC(C)CN(C)C(=O)C2=NSNC2=O)NC(=O)[N-]C1=O	REAL300031104619	1	41	-1.0	-57.81	359.79	-2.18	-59.99
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)CN1C(=O)[N-]NC1=O	REAL300031104830	0	38	-1.0	-57.36	338.90	-1.76	-59.12
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300031104900	0	42	-1.0	-57.64	372.47	1.12	-56.52
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)CCCN1C(=O)[N-]NC1=O	REAL300031106097	0	44	-1.0	-65.01	382.36	-0.62	-65.63
CC(C)CN1[N-]C(CC(=O)NC(C)CN(C)C(=O)C2=NSNC2=O)=CC1=O	REAL300031106308	0	50	-1.0	-71.47	416.82	3.15	-68.32
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300031106368	1	43	-1.0	-48.91	368.46	1.70	-47.21
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	REAL300031106621	0	43	-1.0	-45.01	376.42	-0.01	-45.02
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300031109015	0	38	-1.0	-55.23	347.13	2.70	-52.53
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC(F)=CC=C1[O-]	REAL300031109024	1	38	-1.0	-62.95	334.18	3.84	-59.11
CC1=CC=NC(C(=O)NC(C)CN(C)C(=O)C2=NSNC2=O)=C1[O-]	REAL300031109140	1	40	-1.0	-70.67	346.54	2.70	-67.97
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300031109209	0	38	-1.0	-74.83	351.35	4.29	-70.54
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CN=CC([O-])=C1	REAL300031109351	1	37	-1.0	-59.33	325.01	0.36	-58.97
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC=CC(=S)N1[O-]	REAL300031109367	0	38	-1.0	-77.05	344.12	4.74	-72.31
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300031109542	1	46	-1.0	-48.73	384.21	2.25	-46.48
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300031109561	1	40	-1.0	-52.82	359.88	0.59	-52.23
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC=C([O-])C(Cl)=N1	REAL300031109566	0	37	-1.0	-49.44	344.55	0.86	-48.58
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N	REAL300031109644	0	42	-1.0	-56.43	367.27	2.17	-54.26
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC=C([O-])C=C1Cl	REAL300031109651	1	38	-1.0	-56.91	342.41	2.71	-54.20
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300031109654	0	41	-1.0	-66.95	362.72	2.01	-64.94
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)CC1=NC([O-])=CS1	REAL300031109669	0	37	-1.0	-68.52	339.74	-1.45	-69.97
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=C([O-])C=CC=C1F	REAL300031109697	1	38	-1.0	-63.27	340.89	2.07	-61.20
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300031109701	0	40	-1.0	-58.75	355.04	-0.78	-59.53
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC=C(F)C=C1[O-]	REAL300031109706	0	38	-1.0	-62.22	334.16	3.85	-58.37
CC1=CC=C(F)C([O-])=C1C(=O)NC(C)CN(C)C(=O)C1=NSNC1=O	REAL300031109767	0	41	-1.0	-71.93	359.42	2.67	-69.26
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)CC1SC(=O)[N-]C1=O	REAL300031109882	0	38	-1.0	-56.39	347.98	-2.28	-58.67
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC=C([O-])C(F)=C1F	REAL300031109916	0	38	-1.0	-63.57	341.75	2.29	-61.28
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300031109920	1	39	-1.0	-52.56	347.27	1.70	-50.86
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC=CC(Cl)=C1[O-]	REAL300031109927	0	38	-1.0	-63.02	343.79	4.30	-58.72
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300031110962	1	39	-1.0	-53.34	351.38	1.60	-51.74
COC1=NC(C(=O)NC(C)CN(C)C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300031110969	0	40	-1.0	-60.49	354.91	-3.41	-63.90
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300031110972	0	40	-1.0	-68.70	349.05	2.08	-66.62
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=NC=CC(Cl)=C1[O-]	REAL300031110985	0	37	-1.0	-67.16	342.41	2.53	-64.63
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300031110992	1	41	-1.0	-60.01	370.89	3.39	-56.62
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC=C(Cl)C([O-])=C1	REAL300031111044	0	38	-1.0	-51.22	347.17	2.66	-48.56
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC=NC=C1[O-]	REAL300031111056	1	37	-1.0	-72.50	324.30	1.90	-70.60
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300031111066	0	34	-1.0	-57.81	308.93	-0.94	-58.75
CC1=C([O-])N=C(C(=O)NC(C)CN(C)C(=O)C2=NSNC2=O)S1	REAL300031111117	1	37	-1.0	-55.58	340.73	-1.29	-56.87
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300031111199	1	44	-1.0	-77.64	373.95	6.05	-71.59
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300031111208	1	44	-1.0	-81.99	375.04	5.99	-76.00
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C(=O)C1=CC=C([O-])C=C1	REAL300031111268	1	40	-1.0	-58.25	351.45	1.97	-56.28
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CN=C(C=N[O-])S1	REAL300031111308	0	37	-1.0	-64.60	348.63	0.23	-64.37
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031111346	1	37	-1.0	-51.75	344.31	1.88	-49.87
CSC1=NC=C(C(=O)NC(C)CN(C)C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031111377	1	40	-1.0	-48.06	358.60	0.63	-47.43
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)NC([O-])=C1	REAL300031111387	0	38	-1.0	-57.42	336.20	-2.19	-59.61
CCN1[N-]C(C(=O)NC(C)CN(C)C(=O)C2=NSNC2=O)=CC1=O	REAL300031111486	0	41	-1.0	-58.62	358.70	1.23	-57.39
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)CNC(=O)C1=NC=CC=C1[O-]	REAL300031111498	1	44	-1.0	-68.37	385.21	0.52	-67.85
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300031111512	0	38	-1.0	-57.71	337.00	0.29	-57.42
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300031111526	1	41	-1.0	-81.22	359.72	0.69	-80.53
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300031111531	0	38	-1.0	-60.62	351.14	-1.59	-62.21
CC1=C(C(=O)NC(C)CN(C)C(=O)C2=NSNC2=O)C(=S)[N-]C(=O)N1	REAL300031111533	1	40	-1.0	-69.96	366.09	-0.35	-70.31
CC1=C(C(=O)NC(C)CN(C)C(=O)C2=NSNC2=O)C(=O)[N-]C(C2CC2)=N1	REAL300031111544	1	46	-1.0	-49.62	384.87	2.37	-47.25
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)CC1=CC(=O)N[N-]1	REAL300031111739	1	38	-1.0	-59.21	333.90	-0.73	-59.94
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300031111746	1	38	-1.0	-58.28	337.33	2.20	-56.08
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300031111820	0	38	-1.0	-60.09	342.28	2.32	-57.77
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC=NC(Cl)=C1[O-]	REAL300031111826	0	37	-1.0	-70.51	340.45	2.36	-68.15
CC1=C(CC(=O)NC(C)CN(C)C(=O)C2=NSNC2=O)C(=O)N(C)[N-]1	REAL300031111851	0	44	-1.0	-68.66	377.64	1.63	-67.03
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)CCC(=O)C1=CC=C([O-])C=C1	REAL300031111863	1	46	-1.0	-57.64	396.33	3.50	-54.14
CC1=CN=C(C(=O)NC(C)CN(C)C(=O)C2=NSNC2=O)C([O-])=C1	REAL300031111907	1	40	-1.0	-72.63	347.69	2.64	-69.99
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=C(O)C=CC(Cl)=C1[O-]	REAL300031111926	0	39	-1.0	-64.84	360.43	-0.18	-65.02
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC([O-])=CS1	REAL300031111952	0	35	-1.0	-63.34	322.46	1.10	-62.24
CC1C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300031113417	1	44	-1.0	-48.54	368.55	1.12	-47.42
CC1C(NC(=O)C2=NSNC2=O)CCN1C(=O)CCCN1C(=O)[N-]NC1=O	REAL300031113947	0	45	-1.0	-56.48	387.53	-0.87	-57.35
CC1C(NC(=O)C2=NSNC2=O)CCN1C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300031114119	0	43	-1.0	-55.22	379.50	-3.85	-59.07
CC(=O)[N-]C1=NC(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2C)=CS1	REAL300031114120	1	41	-1.0	-47.55	370.57	0.13	-47.42
CC1C(NC(=O)C2=NSNC2=O)CCN1C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300031114250	1	44	-1.0	-59.82	385.29	0.27	-59.55
COC1=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2C)NC(=O)[N-]C1=O	REAL300031114340	1	42	-1.0	-55.88	361.43	-2.37	-58.25
CC1C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300031114437	0	37	-1.0	-54.51	328.08	-3.42	-57.93
CC1C(NC(=O)C2=NSNC2=O)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300031114531	0	39	-1.0	-56.67	349.33	-2.35	-59.02
CC1C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031115963	1	38	-1.0	-46.29	346.56	2.21	-44.08
CC1C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300031115978	0	39	-1.0	-62.56	347.92	2.44	-60.12
CC1C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300031116030	0	39	-1.0	-75.05	347.00	2.21	-72.84
CC1C(NC(=O)C2=NSNC2=O)CCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300031116172	0	38	-1.0	-49.93	353.78	-2.07	-52.00
CC1C(NC(=O)C2=NSNC2=O)CCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300031116173	0	40	-1.0	-71.75	360.60	-2.42	-74.17
CC1C(NC(=O)C2=NSNC2=O)CCN1C(=O)CC1=NC([O-])=CS1	REAL300031116225	0	38	-1.0	-70.00	346.92	-1.62	-71.62
CCC1=NC=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2C)C(=O)[N-]1	REAL300031116244	1	43	-1.0	-47.47	357.47	0.55	-46.92
CC1C(NC(=O)C2=NSNC2=O)CCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300031116256	0	40	-1.0	-64.98	355.28	-3.02	-68.00
CC1C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300031116323	0	35	-1.0	-53.15	331.76	-0.75	-53.90
COCC1=NC=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2C)C(=O)N1	REAL300031116407	0	44	-1.0	-48.47	370.40	-1.21	-49.68
COCC1=NC=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2C)C(=O)[N-]1	REAL300031116407	1	44	-1.0	-48.47	370.40	-1.21	-49.68
CC1=CC(=O)C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2C)=N[N-]1	REAL300031116496	0	40	-1.0	-52.48	345.24	2.45	-50.03
CC1C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NNC(=O)[N-]1	REAL300031116512	0	35	-1.0	-53.07	311.37	-2.81	-55.88
CC1C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300031116528	0	40	-1.0	-51.83	366.17	0.97	-50.86
CC1C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300031116528	1	40	-1.0	-51.83	366.17	0.97	-50.86
CC1C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300031116643	0	38	-1.0	-65.13	354.71	-0.75	-65.88
CC1C(NC(=O)C2=NC=CC=C2O)CCN1C(=O)C1=NSNC1=O	REAL300031116917	0	38	-1.0	-60.48	332.63	1.74	-58.74
CC1C(NC(=O)C2=NC=CC=C2[O-])CCN1C(=O)C1=NSNC1=O	REAL300031116917	1	38	-1.0	-60.48	332.63	1.74	-58.74
CC1C(NC(=O)CCN2C=C[N-]C(=O)C2=O)CCN1C(=O)C1=NSNC1=O	REAL300031117037	1	44	-1.0	-62.68	382.19	0.53	-62.15
CC(=O)[N-]C1=NC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2C)=CS1	REAL300031117049	1	41	-1.0	-46.96	366.79	0.29	-46.67
CC1C(NC(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300031117081	0	37	-1.0	-53.99	328.25	-3.36	-57.35
COC1=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2C)NC(=O)[N-]C1=O	REAL300031117135	1	42	-1.0	-56.25	365.61	-2.44	-58.69
CC1C(NC(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)C1=NSNC1=O	REAL300031117304	0	39	-1.0	-55.29	342.37	-1.68	-56.97
CC1C(NC(=O)CCCN2C(=O)[N-]NC2=O)CCN1C(=O)C1=NSNC1=O	REAL300031118294	0	45	-1.0	-56.06	384.92	-0.50	-56.56
CC1C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300031118501	1	44	-1.0	-51.79	376.72	1.44	-50.35
CC1C(NC(=O)C2=CC=CC([O-])=C2F)CCN1C(=O)C1=NSNC1=O	REAL300031119980	1	39	-1.0	-64.83	337.51	2.13	-62.70
CC1C(NC(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)CCN1C(=O)C1=NSNC1=O	REAL300031120061	0	41	-1.0	-53.32	359.69	4.02	-49.30
CC1C(NC(=O)C2=CC(=O)N[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300031120126	0	36	-1.0	-49.72	316.67	-1.29	-51.01
CC1C(NC(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)C1=NSNC1=O	REAL300031120134	0	41	-1.0	-49.62	350.24	0.11	-49.51
COCC1=NC=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2C)C(=O)N1	REAL300031120200	0	44	-1.0	-51.45	378.57	-0.91	-52.36
COCC1=NC=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2C)C(=O)[N-]1	REAL300031120200	1	44	-1.0	-51.45	378.57	-0.91	-52.36
CC1C(NC(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)C1=NSNC1=O	REAL300031120260	0	39	-1.0	-67.59	339.73	2.77	-64.82
CC1C(NC(=O)C2=NC(=O)N[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300031120295	0	35	-1.0	-49.84	311.29	-2.58	-52.42
CC1C(NC(=O)C2=C(O)C=CC=C2Cl)CCN1C(=O)C1=NSNC1=O	REAL300031120300	0	39	-1.0	-55.02	356.76	2.17	-52.85
CC1C(NC(=O)C2=C([O-])C=CC=C2Cl)CCN1C(=O)C1=NSNC1=O	REAL300031120300	1	39	-1.0	-55.02	356.76	2.17	-52.85
CC1C(NC(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)C1=NSNC1=O	REAL300031120308	0	39	-1.0	-64.50	340.74	2.54	-61.96
CC1C(NC(=O)C2=C(F)C=CC(O)=C2F)CCN1C(=O)C1=NSNC1=O	REAL300031120345	0	39	-1.0	-52.62	349.80	2.18	-50.44
CC1C(NC(=O)C2=C(F)C=CC([O-])=C2F)CCN1C(=O)C1=NSNC1=O	REAL300031120345	1	39	-1.0	-52.62	349.80	2.18	-50.44
CC1C(NC(=O)C2=CC(F)=CC=C2O)CCN1C(=O)C1=NSNC1=O	REAL300031120540	0	39	-1.0	-57.27	341.77	3.49	-53.78
CC1C(NC(=O)C2=CC(F)=CC=C2[O-])CCN1C(=O)C1=NSNC1=O	REAL300031120540	1	39	-1.0	-57.27	341.77	3.49	-53.78
CC1=CC=NC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2C)=C1O	REAL300031120632	0	41	-1.0	-60.23	352.94	2.43	-57.80
CC1=CC=NC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2C)=C1[O-]	REAL300031120632	1	41	-1.0	-60.23	352.94	2.43	-57.80
CC1C(NC(=O)C2=CN=CC(O)=C2)CCN1C(=O)C1=NSNC1=O	REAL300031120803	0	38	-1.0	-56.81	332.60	0.05	-56.76
CC1C(NC(=O)C2=CN=CC([O-])=C2)CCN1C(=O)C1=NSNC1=O	REAL300031120803	1	38	-1.0	-56.81	332.60	0.05	-56.76
CC1C(NC(=O)C2=CC=CC(=S)N2[O-])CCN1C(=O)C1=NSNC1=O	REAL300031120816	0	39	-1.0	-82.86	351.77	4.41	-78.45
CC1=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2C)[N-]C(=O)C(C#N)=C1	REAL300031121988	0	42	-1.0	-48.22	366.44	1.40	-46.82
CC1C(NC(=O)C2=CC=C(F)C([O-])=C2F)CCN1C(=O)C1=NSNC1=O	REAL300031122008	0	39	-1.0	-64.93	343.70	2.20	-62.73
CC1C(NC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CCN1C(=O)C1=NSNC1=O	REAL300031122068	1	40	-1.0	-52.18	357.75	1.34	-50.84
COC1=NC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2C)=CC(=O)[N-]1	REAL300031122074	0	41	-1.0	-54.25	357.41	-3.27	-57.52
CC1C(NC(=O)C2=CC=C3N[N-]N=C3C2=O)CCN1C(=O)C1=NSNC1=O	REAL300031122076	0	41	-1.0	-58.21	355.90	1.78	-56.43
CC1C(NC(=O)C2=NC=CC(Cl)=C2[O-])CCN1C(=O)C1=NSNC1=O	REAL300031122089	0	38	-1.0	-56.44	344.94	2.66	-53.78
CC1C(NC(=O)CC2=CC=C([O-])C(Cl)=C2)CCN1C(=O)C1=NSNC1=O	REAL300031122095	1	42	-1.0	-62.78	378.12	3.05	-59.73
CC1C(NC(=O)C2=CC=C(Cl)C([O-])=C2)CCN1C(=O)C1=NSNC1=O	REAL300031122136	0	39	-1.0	-51.01	349.63	2.76	-48.25
CC1C(NC(=O)C2=CC=NC=C2[O-])CCN1C(=O)C1=NSNC1=O	REAL300031122147	1	38	-1.0	-60.15	330.68	1.62	-58.53
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NSNC1=O	REAL300031122157	0	35	-1.0	-54.30	311.41	-0.80	-55.10
CC1=C([O-])N=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2C)S1	REAL300031122192	1	38	-1.0	-56.97	343.46	-1.17	-58.14
CC1C(NC(=O)C2=C([O-])C3=CC=CC=C3C=C2)CCN1C(=O)C1=NSNC1=O	REAL300031122262	1	45	-1.0	-64.35	380.33	5.78	-58.57
CC1C(NC(=O)C2=CC3=CC=CC=C3C=C2[O-])CCN1C(=O)C1=NSNC1=O	REAL300031122270	1	45	-1.0	-67.98	377.00	5.96	-62.02
CC1C(NC(=O)C(=O)C2=CC=C([O-])C=C2)CCN1C(=O)C1=NSNC1=O	REAL300031122320	1	41	-1.0	-54.43	357.86	1.70	-52.73
CC1C(NC(=O)C2=CN=C(C=N[O-])S2)CCN1C(=O)C1=NSNC1=O	REAL300031122357	0	38	-1.0	-65.08	355.89	-0.09	-65.17
CC1C(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300031122392	1	38	-1.0	-46.67	346.84	2.01	-44.66
CSC1=NC=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2C)C(=O)[N-]1	REAL300031122418	1	41	-1.0	-51.43	366.89	0.35	-51.08
CC1C(NC(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)C1=NSNC1=O	REAL300031122426	0	39	-1.0	-49.36	339.80	-2.13	-51.49
CCN1[N-]C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2C)=CC1=O	REAL300031122508	0	42	-1.0	-53.57	360.71	1.20	-52.37
CC1C(NC(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300031122530	0	39	-1.0	-52.11	339.40	0.42	-51.69
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300031122547	0	39	-1.0	-56.19	357.53	-1.85	-58.04
CC1=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2C)C(=S)[N-]C(=O)N1	REAL300031122549	1	41	-1.0	-67.90	370.83	-0.56	-68.46
CC1C(NC(=O)CC2=CC(=O)N[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300031122725	1	39	-1.0	-58.38	337.36	-0.66	-59.04
CC1C(NC(=O)C2=CC=C([O-])C(F)=C2)CCN1C(=O)C1=NSNC1=O	REAL300031122731	1	39	-1.0	-54.90	339.79	2.32	-52.58
CC1C(NC(=O)C2=CC(F)=C([O-])C(F)=C2)CCN1C(=O)C1=NSNC1=O	REAL300031122793	0	39	-1.0	-56.68	345.49	2.27	-54.41
CC1C(NC(=O)C2=CC=NC(Cl)=C2[O-])CCN1C(=O)C1=NSNC1=O	REAL300031122799	0	38	-1.0	-58.57	342.43	2.33	-56.24
CC1=C(CC(=O)NC2CCN(C(=O)C3=NSNC3=O)C2C)C(=O)N(C)[N-]1	REAL300031122819	0	45	-1.0	-60.51	383.94	1.35	-59.16
CC1=CN=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2C)C([O-])=C1	REAL300031122868	1	41	-1.0	-61.34	350.19	2.77	-58.57
CC1C(NC(=O)C2=C(O)C=CC(Cl)=C2[O-])CCN1C(=O)C1=NSNC1=O	REAL300031122882	0	40	-1.0	-53.56	363.88	-0.08	-53.64
CC1C(NC(=O)C2=CC([O-])=CS2)CCN1C(=O)C1=NSNC1=O	REAL300031122902	0	36	-1.0	-59.20	325.92	1.17	-58.03
CC1C(NC(=O)C2=CN([O-])C(=O)C=C2)CCN1C(=O)C1=NSNC1=O	REAL300031122924	0	39	-1.0	-66.88	339.35	2.77	-64.11
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300031124048	1	44	-1.0	-62.91	384.88	0.77	-62.14
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)CCCN1C(=O)[N-]NC1=O	REAL300031124578	0	45	-1.0	-60.30	392.03	-1.13	-61.43
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300031124750	0	43	-1.0	-58.96	379.71	-3.86	-62.82
CC(=O)[N-]C1=NC(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC2C)=CS1	REAL300031124751	1	41	-1.0	-57.21	370.99	0.15	-57.06
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300031124881	1	44	-1.0	-63.99	385.46	0.27	-63.72
O=C(CN1C(=O)[N-]NC1=O)NC12CCCC1N(C(=O)C1=NSNC1=O)CC2	REAL300031134977	0	43	-1.0	-67.27	362.47	-1.37	-68.64
O=C(NC12CCCC1N(C(=O)C1=NSNC1=O)CC2)C1=CN([O-])C(=O)C=C1	REAL300031135290	0	43	-1.0	-78.89	359.43	3.13	-75.76
O=C(NC12CCCC1N(C(=O)C1=NSNC1=O)CC2)C1=CC(=O)NC([O-])=C1	REAL300031135358	0	43	-1.0	-48.44	363.12	-1.54	-49.98
O=C(NC12CCCC1N(C(=O)C1=NSNC1=O)CC2)C1=COC(=O)[N-]1	REAL300031135369	1	39	-1.0	-57.39	331.96	-1.94	-59.33
CCN1[N-]C(C(=O)NC23CCCC2N(C(=O)C2=NSNC2=O)CC3)=CC1=O	REAL300031135474	0	46	-1.0	-63.38	381.34	1.69	-61.69
O=C(CC1=CC(=O)N[N-]1)NC12CCCC1N(C(=O)C1=NSNC1=O)CC2	REAL300031135480	1	43	-1.0	-71.44	357.47	-0.31	-71.75
CN1N=C(C(=O)NC23CCCC2N(C(=O)C2=NSNC2=O)CC3)[N-]C1=O	REAL300031135500	0	42	-1.0	-55.61	356.01	-0.72	-56.33
O=C(NC12CCCC1N(C(=O)C1=NSNC1=O)CC2)C1=C[N-]N=CC1=O	REAL300031135549	0	41	-1.0	-43.84	344.57	1.57	-42.27
O=C(NC12CCCC1N(C(=O)C1=NSNC1=O)CC2)C1=CC(=O)N[N-]1	REAL300031135607	0	40	-1.0	-59.68	336.79	-0.95	-60.63
C[PH](C)([O-])C(=O)C(=O)NC12CCCC1N(C(=O)C1=NSNC1=O)CC2	REAL300031135611	0	45	-1.0	-48.46	372.93	0.61	-47.85
O=C(NC12CCCC1N(C(=O)C1=NSNC1=O)CC2)C1=CC=CN([O-])C1=O	REAL300031135634	0	43	-1.0	-64.56	360.58	3.67	-60.89
CC1SC(C(=O)NC23CCCC2N(C(=O)C2=NSNC2=O)CC3)=NC1=O	REAL300031135654	0	42	-1.0	-58.46	365.23	-0.80	-59.26
CC1=C([O-])N=C(C(=O)NC23CCCC2N(C(=O)C2=NSNC2=O)CC3)S1	REAL300031135654	1	42	-1.0	-58.46	365.23	-0.80	-59.26
O=C(NC12CCCC1N(C(=O)C1=NSNC1=O)CC2)C1=CC(=O)N([O-])C=C1	REAL300031135666	0	43	-1.0	-78.98	359.81	3.11	-75.87
O=C(NC12CCCC1N(C(=O)C1=NSNC1=O)CC2)C1=CC=CC(=O)N1[O-]	REAL300031135687	0	43	-1.0	-95.35	356.95	4.00	-91.35
O=C(CC1=NC([O-])=CS1)NC12CCCC1N(C(=O)C1=NSNC1=O)CC2	REAL300031135783	0	42	-1.0	-66.39	366.54	-0.78	-67.17
CC1=CC(=O)C(C(=O)NC23CCCC2N(C(=O)C2=NSNC2=O)CC3)=N[N-]1	REAL300031135917	0	44	-1.0	-51.86	367.41	2.79	-49.07
O=C(NC12CCCC1N(C(=O)C1=NSNC1=O)CC2)C1=NNC(=O)[N-]1	REAL300031135925	0	39	-1.0	-63.71	331.28	-2.40	-66.11
O=C(NC12CCCC1N(C(=O)C1=NC=CC=C1[O-])CC2)C1=NSNC1=O	REAL300031136248	1	42	-1.0	-61.52	350.55	2.67	-58.85
O=C(NC12CCCC1N(C(=O)C1=NNC(=O)[N-]C1=O)CC2)C1=NSNC1=O	REAL300031136346	0	41	-1.0	-68.37	348.23	-3.16	-71.53
O=C(CN1C(=O)[N-]NC1=O)N1CCC2(NC(=O)C3=NSNC3=O)CCCC12	REAL300031136438	0	43	-1.0	-53.40	368.88	-1.32	-54.72
N#CC1=CC([O-])=CC(C(=O)N2CCC3(NC(=O)C4=NSNC4=O)CCCC23)=C1	REAL300031137248	1	44	-1.0	-52.55	378.30	2.58	-49.97
O=C(NC12CCCC1N(C(=O)C1=COC(=O)[N-]1)CC2)C1=NSNC1=O	REAL300031137315	1	39	-1.0	-50.23	335.14	-0.95	-51.18
O=C(NC12CCCC1N(C(=O)C1=CC=C([O-])C=C1F)CC2)C1=NSNC1=O	REAL300031137384	1	43	-1.0	-67.78	358.48	1.92	-65.86
O=C(NC12CCCC1N(C(=O)C1=CC([O-])=CC(=O)O1)CC2)C1=NSNC1=O	REAL300031137388	0	42	-1.0	-61.04	356.52	1.34	-59.70
N#CC1=CC=C(C(=O)N2CCC3(NC(=O)C4=NSNC4=O)CCCC23)C=C1[O-]	REAL300031137391	1	44	-1.0	-51.50	375.66	2.33	-49.17
CC1=CC=C([O-])C(C(=O)N2CCC3(NC(=O)C4=NSNC4=O)CCCC23)=N1	REAL300031137442	1	45	-1.0	-61.38	373.50	3.45	-57.93
O=C(NC12CCCC1N(C(=O)C1=C[N-]N=CC1=O)CC2)C1=NSNC1=O	REAL300031137453	0	41	-1.0	-46.51	349.60	0.45	-46.06
O=C(NC12CCCC1N(C(=O)C1=CC=CC(F)=C1[O-])CC2)C1=NSNC1=O	REAL300031137460	0	43	-1.0	-65.45	362.17	3.26	-62.19
O=C(NC12CCCC1N(C(=O)C1=CC=CC([O-])=C1F)CC2)C1=NSNC1=O	REAL300031137524	1	43	-1.0	-63.34	362.42	1.98	-61.36
O=C(NC12CCCC1N(C(=O)C1=CC(=O)N[N-]1)CC2)C1=NSNC1=O	REAL300031137596	0	40	-1.0	-49.34	339.99	-0.84	-50.18
C[PH](C)([O-])C(=O)C(=O)N1CCC2(NC(=O)C3=NSNC3=O)CCCC12	REAL300031137601	0	45	-1.0	-48.83	373.42	0.38	-48.45
O=C(NC12CCCC1N(C(=O)C1=CC(=O)N([O-])C=C1)CC2)C1=NSNC1=O	REAL300031137651	0	43	-1.0	-64.28	370.05	2.78	-61.50
O=C(NC12CCCC1N(C(=O)C1=NNC(=O)[N-]1)CC2)C1=NSNC1=O	REAL300031137668	0	39	-1.0	-52.48	334.68	-2.33	-54.81
O=C(NC12CCCC1N(C(=O)C1=CC=CN([O-])C1=O)CC2)C1=NSNC1=O	REAL300031137673	0	43	-1.0	-68.70	365.66	2.66	-66.04
O=C(NC12CCCC1N(C(=O)C1=CC(F)=CC=C1O)CC2)C1=NSNC1=O	REAL300031137779	0	43	-1.0	-57.03	362.39	3.24	-53.79
O=C(NC12CCCC1N(C(=O)C1=CC(F)=CC=C1[O-])CC2)C1=NSNC1=O	REAL300031137779	1	43	-1.0	-57.03	362.39	3.24	-53.79
CC1=CC=NC(C(=O)N2CCC3(NC(=O)C4=NSNC4=O)CCCC23)=C1O	REAL300031137821	0	45	-1.0	-60.34	372.22	3.57	-56.77
CC1=CC=NC(C(=O)N2CCC3(NC(=O)C4=NSNC4=O)CCCC23)=C1[O-]	REAL300031137821	1	45	-1.0	-60.34	372.22	3.57	-56.77
O=C(NC12CCCC1N(C(=O)C1=CN=CC(O)=C1)CC2)C1=NSNC1=O	REAL300031137881	0	42	-1.0	-51.51	350.50	0.09	-51.42
O=C(NC12CCCC1N(C(=O)C1=CN=CC([O-])=C1)CC2)C1=NSNC1=O	REAL300031137881	1	42	-1.0	-51.51	350.50	0.09	-51.42
O=C(CC1=NC([O-])=CS1)N1CCC2(NC(=O)C3=NSNC3=O)CCCC12	REAL300031137974	0	42	-1.0	-67.75	370.40	-0.95	-68.70
O=C(NC12CCCC1N(C(=O)C1=C([O-])C=CC=C1F)CC2)C1=NSNC1=O	REAL300031137985	0	43	-1.0	-56.04	370.33	2.43	-53.61
O=C(NC12CCCC1N(C(=O)C1=CC=C(F)C=C1[O-])CC2)C1=NSNC1=O	REAL300031137986	0	43	-1.0	-81.83	358.23	3.19	-78.64
CC1=CC(=O)C(C(=O)N2CCC3(NC(=O)C4=NSNC4=O)CCCC23)=N[N-]1	REAL300031138080	0	44	-1.0	-69.83	365.44	2.71	-67.12
O=C(NC12CCCC1N(C(=O)C1=CC=CC(=O)N1[O-])CC2)C1=NSNC1=O	REAL300031138095	0	43	-1.0	-73.01	368.98	2.52	-70.49
CN1N=C(C(=O)N2CCC3(NC(=O)C4=NSNC4=O)CCCC23)[N-]C1=O	REAL300031138141	0	42	-1.0	-55.21	357.45	-0.67	-55.88
N#CC1=CC=C(C(=O)N2CCC3(NC(=O)C4=NSNC4=O)CCCC23)C([O-])=C1	REAL300031138174	0	44	-1.0	-78.88	373.39	3.43	-75.45
N#CC1=CC=C([O-])C(C(=O)N2CCC3(NC(=O)C4=NSNC4=O)CCCC23)=C1	REAL300031138180	0	44	-1.0	-54.19	376.83	3.57	-50.62
O=C(NC12CCCC1N(C(=O)C1=CC=C(F)C([O-])=C1)CC2)C1=NSNC1=O	REAL300031138270	1	43	-1.0	-61.28	361.74	1.96	-59.32
O=C(NC12CCCC1N(C(=O)C1=NC(=O)[N-]C(=O)N1)CC2)C1=NSNC1=O	REAL300031138320	0	41	-1.0	-46.82	352.28	-2.69	-49.51
O=C(NC12CCCC1N(C(=O)C1=NC(=O)NC(=O)[N-]1)CC2)C1=NSNC1=O	REAL300031138320	1	41	-1.0	-46.82	352.28	-2.69	-49.51
NC1=NC=C(C(=O)N2CCC3(NC(=O)C4=NSNC4=O)CCCC23)C(=O)N1	REAL300031138356	0	43	-1.0	-68.95	363.18	-0.84	-69.79
NC1=NC=C(C(=O)N2CCC3(NC(=O)C4=NSNC4=O)CCCC23)C(=O)[N-]1	REAL300031138356	1	43	-1.0	-68.95	363.18	-0.84	-69.79
O=C(NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1=NSNC1=O	REAL300031138444	0	39	-1.0	-53.19	334.99	-0.69	-53.88
CC1SC(C(=O)N2CCC3(NC(=O)C4=NSNC4=O)CCCC23)=NC1=O	REAL300031138460	0	42	-1.0	-57.32	365.61	-0.38	-57.70
CC1=C([O-])N=C(C(=O)N2CCC3(NC(=O)C4=NSNC4=O)CCCC23)S1	REAL300031138460	1	42	-1.0	-57.32	365.61	-0.38	-57.70
O=C(NC12CCCC1N(C(=O)C1=CC(=O)NC([O-])=C1)CC2)C1=NSNC1=O	REAL300031138559	0	43	-1.0	-47.69	370.91	-2.01	-49.70
CCN1[N-]C(C(=O)N2CCC3(NC(=O)C4=NSNC4=O)CCCC23)=CC1=O	REAL300031138601	0	46	-1.0	-67.67	380.88	1.55	-66.12
CN1[N-]C(C(=O)N2CCC3(NC(=O)C4=NSNC4=O)CCCC23)=CC1=O	REAL300031138617	0	43	-1.0	-51.78	362.73	0.87	-50.91
O=C(CC1=CC(=O)NN1)N1CCC2(NC(=O)C3=NSNC3=O)CCCC12	REAL300031138698	0	43	-1.0	-71.14	359.99	-0.62	-71.76
O=C(CC1=CC(=O)N[N-]1)N1CCC2(NC(=O)C3=NSNC3=O)CCCC12	REAL300031138698	1	43	-1.0	-71.14	359.99	-0.62	-71.76
O=C(NC12CCCC1N(C(=O)C1=CC=C(O)C(F)=C1)CC2)C1=NSNC1=O	REAL300031138702	0	43	-1.0	-55.66	361.70	2.00	-53.66
O=C(NC12CCCC1N(C(=O)C1=CC=C([O-])C(F)=C1)CC2)C1=NSNC1=O	REAL300031138702	1	43	-1.0	-55.66	361.70	2.00	-53.66
CC1=CN=C(C(=O)N2CCC3(NC(=O)C4=NSNC4=O)CCCC23)C(O)=C1	REAL300031138764	0	45	-1.0	-62.89	372.01	3.31	-59.58
CC1=CN=C(C(=O)N2CCC3(NC(=O)C4=NSNC4=O)CCCC23)C([O-])=C1	REAL300031138764	1	45	-1.0	-62.89	372.01	3.31	-59.58
O=C(NC12CCCC1N(C(=O)C1=CC([O-])=CS1)CC2)C1=NSNC1=O	REAL300031138777	0	40	-1.0	-60.40	345.76	0.78	-59.62
O=C(NC12CCCC1N(C(=O)C1=CN([O-])C(=O)C=C1)CC2)C1=NSNC1=O	REAL300031138788	0	43	-1.0	-61.89	370.62	2.92	-58.97
CN1[N-]C(C(=O)NC23CCCC2N(C(=O)C2=NSNC2=O)CC3)=CC1=O	REAL300031138876	0	43	-1.0	-62.48	359.54	0.77	-61.71
O=C(NC12CCCC1N(C(=O)C1=NSNC1=O)CC2)C1=NC(=O)[N-]C(=O)N1	REAL300031138954	0	41	-1.0	-59.88	349.92	-4.01	-63.89
O=C(NC12CCCC1N(C(=O)C1=NSNC1=O)CC2)C1=NC(=O)NC(=O)[N-]1	REAL300031138954	1	41	-1.0	-55.60	350.57	-3.25	-58.85
O=C(NC12CCCC1N(C(=O)C1=NSNC1=O)CC2)C1=CC(=O)[N-]O1	REAL300031139046	0	39	-1.0	-54.51	333.43	-0.43	-54.94
O=C(NC1CCCC2CN(C(=O)C3=COC(=O)[N-]3)CC21)C1=NSNC1=O	REAL300031139779	1	42	-1.0	-49.33	354.26	0.19	-49.14
O=C(CC1=CC(=O)N[N-]1)N1CC2CCCC(NC(=O)C3=NSNC3=O)C2C1	REAL300031139857	1	46	-1.0	-61.96	383.04	0.74	-61.22
CN1N=C(C(=O)N2CC3CCCC(NC(=O)C4=NSNC4=O)C3C2)[N-]C1=O	REAL300031139866	0	45	-1.0	-58.26	376.58	0.45	-57.81
O=C(NC1CCCC2CN(C(=O)C3=C[N-]N=CC3=O)CC21)C1=NSNC1=O	REAL300031139898	0	44	-1.0	-52.48	373.31	1.87	-50.61
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)N[N-]3)CC21)C1=NSNC1=O	REAL300031139932	0	43	-1.0	-51.66	359.76	0.27	-51.39
O=C(NC1CCCC2CN(C(=O)C3=NC(=O)N[N-]3)CC21)C1=NSNC1=O	REAL300031140103	0	42	-1.0	-49.60	353.82	-0.49	-50.09
O=C(NC1CCCC2CN(C(=O)C3=NSNC3=O)CC21)C1=NC=CC=C1[O-]	REAL300031140397	1	45	-1.0	-69.43	371.46	3.79	-65.64
O=C(NC1CCCC2CN(C(=O)C3=NSNC3=O)CC21)C1=COC(=O)[N-]1	REAL300031140872	1	42	-1.0	-56.15	354.81	-0.66	-56.81
O=C(NC1CCCC2CN(C(=O)C3=NSNC3=O)CC21)C1=C[N-]N=CC1=O	REAL300031140943	0	44	-1.0	-52.79	368.46	2.05	-50.74
O=C(NC1CCCC2CN(C(=O)C3=NSNC3=O)CC21)C1=CC(=O)N[N-]1	REAL300031141002	0	43	-1.0	-59.06	359.07	0.35	-58.71
O=C(NC1CCCC2CN(C(=O)C3=NSNC3=O)CC21)C1=NC(=O)N[N-]1	REAL300031141036	0	42	-1.0	-56.10	353.58	-0.97	-57.07
O=C(NC1CCCC2CN(C(=O)C3=NSNC3=O)CC21)C1=CN=CC([O-])=C1	REAL300031141144	1	45	-1.0	-62.54	371.40	2.07	-60.47
CN1N=C(C(=O)NC2CCCC3CN(C(=O)C4=NSNC4=O)CC32)[N-]C1=O	REAL300031141252	0	45	-1.0	-63.12	376.73	0.56	-62.56
O=C(NC1CCCC2CN(C(=O)C3=NSNC3=O)CC21)C1=CC=NC=C1[O-]	REAL300031141382	1	45	-1.0	-68.68	369.73	3.66	-65.02
O=C(NC1CCCC2CN(C(=O)C3=NSNC3=O)CC21)C1=CC(=O)[N-]O1	REAL300031141385	0	42	-1.0	-60.24	354.38	0.83	-59.41
CN1[N-]C(C(=O)NC2CCCC3CN(C(=O)C4=NSNC4=O)CC32)=CC1=O	REAL300031141472	0	46	-1.0	-59.18	381.72	2.03	-57.15
O=C(CC1=CC(=O)N[N-]1)NC1CCCC2CN(C(=O)C3=NSNC3=O)CC21	REAL300031141518	1	46	-1.0	-65.79	379.73	0.99	-64.80
O=C(NC1CCCC2CN(C(=O)C3=NSNC3=O)CC21)C1=CC([O-])=CS1	REAL300031141562	0	43	-1.0	-65.83	368.23	2.80	-63.03
CN1[N-]C(C(=O)N2CC3CCCC(NC(=O)C4=NSNC4=O)C3C2)=CC1=O	REAL300031141621	0	46	-1.0	-54.12	381.83	1.99	-52.13
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=NSNC1=O	REAL300031141730	0	42	-1.0	-54.80	354.18	0.48	-54.32
CC1C(NC(=O)C2=NNC(=O)[N-]C2=O)CCCN1C(=O)C1=NSNC1=O	REAL300031142896	0	40	-1.0	-59.39	342.30	-3.06	-62.45
CC1C(NC(=O)CN2C(=O)[N-]NC2=O)CCCN1C(=O)C1=NSNC1=O	REAL300031142980	0	42	-1.0	-57.75	353.44	-0.72	-58.47
CC1C(NC(=O)C2=CN([O-])C(=O)C=C2)CCCN1C(=O)C1=NSNC1=O	REAL300031143571	0	42	-1.0	-72.48	353.56	3.07	-69.41
CC1C(NC(=O)C2=CC(=O)NC([O-])=C2)CCCN1C(=O)C1=NSNC1=O	REAL300031143685	0	42	-1.0	-53.37	351.11	-1.17	-54.54
CC1C(NC(=O)C2=COC(=O)[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300031143696	1	38	-1.0	-53.79	326.03	-1.99	-55.78
CC1C([N-]C(=O)C(F)(F)C(F)(F)F)CCCN1C(=O)C1=NSNC1=O	REAL300031143786	0	37	-1.0	-47.48	327.08	1.87	-45.61
CCN1[N-]C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2C)=CC1=O	REAL300031143866	0	45	-1.0	-58.37	372.39	2.31	-56.06
CC1C(NC(=O)CC2=CC(=O)N[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300031143874	1	42	-1.0	-59.07	348.44	0.31	-58.76
CC1C(NC(=O)C2=CC=CC(=S)N2[O-])CCCN1C(=O)C1=NSNC1=O	REAL300031143892	0	42	-1.0	-80.76	358.82	5.76	-75.00
CC1C(NC(=O)CC2SC(=O)[N-]C2=O)CCCN1C(=O)C1=NSNC1=O	REAL300031143901	0	42	-1.0	-50.44	361.60	-1.17	-51.61
CC1C(NC(=O)C2=NN(C)C(=O)[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300031143917	0	41	-1.0	-60.58	345.26	-0.14	-60.72
CC1C(NC(=O)C2=C[N-]N=CC2=O)CCCN1C(=O)C1=NSNC1=O	REAL300031144006	0	40	-1.0	-51.37	332.07	1.82	-49.55
CC1C(NC(=O)C2=CC(=O)N[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300031144105	0	39	-1.0	-55.26	327.81	-0.31	-55.57
CC1C(NC(=O)C(=O)[PH](C)(C)[O-])CCCN1C(=O)C1=NSNC1=O	REAL300031144110	0	44	-1.0	-53.37	362.00	1.13	-52.24
CC1C(NC(=O)C2=CC=CN([O-])C2=O)CCCN1C(=O)C1=NSNC1=O	REAL300031144141	0	42	-1.0	-67.15	348.25	3.85	-63.30
CC1SC(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2C)=NC1=O	REAL300031144169	0	41	-1.0	-64.60	354.78	-0.23	-64.83
CC1=C([O-])N=C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2C)S1	REAL300031144169	1	41	-1.0	-64.60	354.78	-0.23	-64.83
CC1C(NC(=O)C2=CC(=O)C=C(Cl)N2)CCCN1C(=O)C1=NSNC1=O	REAL300031144183	0	41	-1.0	-51.19	360.89	2.31	-48.88
CC1C(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300031144183	1	41	-1.0	-51.19	360.89	2.31	-48.88
CC1C(NC(=O)C2=CC(=O)N([O-])C=C2)CCCN1C(=O)C1=NSNC1=O	REAL300031144200	0	42	-1.0	-72.75	353.93	3.06	-69.69
CC1C(NC(=O)C2=CC=CC(=O)N2[O-])CCCN1C(=O)C1=NSNC1=O	REAL300031144233	0	42	-1.0	-78.67	347.71	4.72	-73.95
CC1C(NC(=O)CC2=C([O-])N=C(N)S2)CCCN1C(=O)C1=NSNC1=O	REAL300031144356	0	43	-1.0	-76.63	372.26	-1.97	-78.60
CC1C(NC(=O)CC2=NC([O-])=CS2)CCCN1C(=O)C1=NSNC1=O	REAL300031144401	0	41	-1.0	-67.69	354.29	-0.41	-68.10
CCC1=NC=C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2C)C(=O)N1	REAL300031144419	0	46	-1.0	-54.78	373.14	2.15	-52.63
CCC1=NC=C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2C)C(=O)[N-]1	REAL300031144419	1	46	-1.0	-54.78	373.14	2.15	-52.63
CC1=CC(=O)C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2C)=N[N-]1	REAL300031144630	0	43	-1.0	-58.38	359.49	2.81	-55.57
CC1C(NC(=O)C2=NNC(=O)[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300031144645	0	38	-1.0	-57.87	322.50	-1.81	-59.68
CC1C(NC(=O)C2=CN=C(C=N[O-])S2)CCCN1C(=O)C1=NSNC1=O	REAL300031144756	0	41	-1.0	-64.26	363.38	1.24	-63.02
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NC=CC=C1[O-]	REAL300031145025	1	41	-1.0	-66.80	343.04	2.62	-64.18
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300031145138	0	40	-1.0	-60.79	343.25	-3.23	-64.02
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300031145276	0	42	-1.0	-51.25	356.58	-0.87	-52.12
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300031146378	1	42	-1.0	-65.99	363.19	3.82	-62.17
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300031146401	1	43	-1.0	-50.52	369.11	2.39	-48.13
CCC1=NC=C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2C)C(=O)[N-]1	REAL300031146468	1	46	-1.0	-46.96	376.40	1.61	-45.35
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=COC(=O)[N-]1	REAL300031146483	1	38	-1.0	-45.79	322.88	-0.07	-45.86
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300031146549	0	41	-1.0	-53.96	363.87	-1.22	-55.18
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300031146550	0	43	-1.0	-76.43	375.08	-1.99	-78.42
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C([O-])C=C1F	REAL300031146569	1	42	-1.0	-51.51	351.89	2.84	-48.67
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300031146575	0	41	-1.0	-48.62	348.32	2.04	-46.58
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300031146581	1	43	-1.0	-47.91	365.55	3.14	-44.77
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300031146584	0	41	-1.0	-57.89	357.91	1.83	-56.06
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300031146596	0	43	-1.0	-67.71	369.77	-2.62	-70.33
CC1=CC=C([O-])C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2C)=N1	REAL300031146650	1	44	-1.0	-67.53	364.68	3.18	-64.35
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300031146667	0	40	-1.0	-40.95	335.40	1.30	-39.65
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300031146674	0	42	-1.0	-60.80	351.14	3.95	-56.85
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=CC([O-])=C1F	REAL300031146749	1	42	-1.0	-60.73	351.46	2.81	-57.92
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300031146831	0	39	-1.0	-46.33	327.48	-0.12	-46.45
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300031146836	0	44	-1.0	-44.72	362.18	0.74	-43.98
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300031146910	0	42	-1.0	-64.66	351.37	3.26	-61.40
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NNC(=O)[N-]1	REAL300031146934	0	38	-1.0	-58.06	325.28	-2.29	-60.35
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=CN([O-])C1=O	REAL300031146939	0	42	-1.0	-61.75	352.23	3.34	-58.41
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NC(N)=CC(=O)[N-]1	REAL300031147030	0	42	-1.0	-64.97	358.74	-2.12	-67.09
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300031147069	0	42	-1.0	-48.61	361.36	3.28	-45.33
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300031147074	1	42	-1.0	-65.28	352.87	3.38	-61.90
CC1=CC=NC(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2C)=C1[O-]	REAL300031147132	1	44	-1.0	-55.62	360.25	4.01	-51.61
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CN=CC([O-])=C1	REAL300031147224	1	41	-1.0	-52.69	340.36	0.82	-51.87
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300031147234	0	42	-1.0	-84.62	362.36	4.25	-80.37
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300031147331	0	41	-1.0	-44.03	358.31	2.33	-41.70
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300031147368	1	42	-1.0	-50.29	360.29	3.28	-47.01
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)CC1=NC([O-])=CS1	REAL300031147375	0	41	-1.0	-72.67	360.23	-1.14	-73.81
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300031147389	0	44	-1.0	-62.14	375.49	-0.55	-62.69
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300031147390	0	42	-1.0	-55.59	351.66	3.91	-51.68
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300031147465	0	42	-1.0	-52.93	367.54	-1.91	-54.84
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300031147485	0	42	-1.0	-62.35	361.13	2.22	-60.13
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300031147491	0	42	-1.0	-55.49	360.95	4.42	-51.07
CC1=CC(=O)C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2C)=N[N-]1	REAL300031147514	0	43	-1.0	-57.69	360.10	2.68	-55.01
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300031147533	0	42	-1.0	-62.02	353.46	2.94	-59.08
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300031147554	0	42	-1.0	-43.11	361.22	1.11	-42.00
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300031147595	0	41	-1.0	-61.17	348.27	-0.68	-61.85
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300031147641	0	43	-1.0	-61.91	367.31	3.72	-58.19
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300031147715	0	42	-1.0	-48.87	356.97	0.79	-48.08
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(F)C(O)=C1	REAL300031147758	0	42	-1.0	-51.39	351.61	2.74	-48.65
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300031147758	1	42	-1.0	-51.39	351.61	2.74	-48.65
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(Cl)C=C1O	REAL300031147773	0	42	-1.0	-55.17	362.00	4.35	-50.82
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300031147773	1	42	-1.0	-55.17	362.00	4.35	-50.82
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300031147829	0	40	-1.0	-54.72	344.03	-3.25	-57.97
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300031147829	1	40	-1.0	-52.25	348.03	-3.70	-55.95
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300031147872	1	42	-1.0	-47.60	349.94	-0.05	-47.65
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(F)C([O-])=C1F	REAL300031147902	0	42	-1.0	-72.49	361.10	2.21	-70.28
COC1=NC(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2C)=CC(=O)[N-]1	REAL300031147942	0	44	-1.0	-59.83	371.58	-2.32	-62.15
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300031147947	0	41	-1.0	-52.59	356.11	3.83	-48.76
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300031147978	0	42	-1.0	-47.46	361.40	3.24	-44.22
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=NC=C1[O-]	REAL300031147986	0	41	-1.0	-55.82	340.30	1.99	-53.83
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300031147991	0	38	-1.0	-58.77	325.69	-0.78	-59.55
CC1=C([O-])N=C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2C)S1	REAL300031148009	1	41	-1.0	-57.71	357.60	-0.02	-57.73
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300031148092	1	44	-1.0	-50.74	373.97	2.85	-47.89
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300031148108	0	41	-1.0	-69.37	365.41	0.04	-69.33
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031148125	1	41	-1.0	-51.11	362.02	2.62	-48.49
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300031148143	0	42	-1.0	-45.78	352.81	-1.58	-47.36
CCN1[N-]C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2C)=CC1=O	REAL300031148197	0	45	-1.0	-49.24	372.30	2.51	-46.73
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300031148211	0	42	-1.0	-48.66	350.19	1.56	-47.10
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300031148220	0	42	-1.0	-58.64	370.73	-1.19	-59.83
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)CC1=CC(=O)N[N-]1	REAL300031148322	1	42	-1.0	-55.08	351.59	0.22	-54.86
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300031148327	1	42	-1.0	-52.41	351.56	2.79	-49.62
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300031148363	0	42	-1.0	-53.12	358.86	2.93	-50.19
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300031148367	0	41	-1.0	-61.59	357.22	1.86	-59.73
CC1=C(CC(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2C)C(=O)N(C)[N-]1	REAL300031148381	0	48	-1.0	-54.34	394.39	2.63	-51.71
CC1=CN=C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2C)C([O-])=C1	REAL300031148416	1	44	-1.0	-69.67	366.89	2.81	-66.86
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC([O-])=CS1	REAL300031148435	0	39	-1.0	-66.89	339.35	0.92	-65.97
CC1C(NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300031148448	0	42	-1.0	-73.33	355.24	2.63	-70.70
CC1C(NC(=O)C2=CC(=O)N(C)[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300031148597	0	42	-1.0	-57.58	350.74	1.37	-56.21
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300031148604	0	42	-1.0	-56.15	364.79	-0.49	-56.64
CC1C(NC(=O)C2=NC(=O)[N-]C(=O)N2)CCCN1C(=O)C1=NSNC1=O	REAL300031148753	0	40	-1.0	-59.44	341.13	-3.39	-62.83
CC1C(NC(=O)C2=NC(=O)NC(=O)[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300031148753	1	40	-1.0	-52.73	341.78	-2.63	-55.36
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CCN1[N-]C(C(=O)NCC2CCC(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031156427	0	45	-1.0	-55.24	392.56	0.46	-54.78
CN1[N-]C(C(=O)NCC2CCC(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031156446	0	42	-1.0	-54.56	370.82	-0.46	-55.02
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC(NC(=O)C2=NSNC2=O)C1	REAL300031156456	0	42	-1.0	-57.67	384.98	-2.34	-60.01
O=C(CC1=CC(=O)NN1)NCC1CCC(NC(=O)C2=NSNC2=O)C1	REAL300031156583	0	42	-1.0	-60.99	368.65	-1.62	-62.61
O=C(CC1=CC(=O)N[N-]1)NCC1CCC(NC(=O)C2=NSNC2=O)C1	REAL300031156583	1	42	-1.0	-60.99	368.65	-1.62	-62.61
O=C(NC1CCC(CNC(=O)C2=CC=C(O)C(F)=C2)C1)C1=NSNC1=O	REAL300031156588	0	42	-1.0	-59.30	371.18	1.45	-57.85
O=C(NC1CCC(CNC(=O)C2=CC=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300031156588	1	42	-1.0	-59.30	371.18	1.45	-57.85
O=C(NC1CCC(CNC(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300031156634	0	42	-1.0	-58.36	376.97	1.44	-56.92
O=C(NC1CCC(CNC(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300031156639	0	41	-1.0	-62.64	374.29	1.62	-61.02
CC1=CN=C(C(=O)NCC2CCC(NC(=O)C3=NSNC3=O)C2)C(O)=C1	REAL300031156690	0	44	-1.0	-64.38	381.39	1.86	-62.52
CC1=CN=C(C(=O)NCC2CCC(NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300031156690	1	44	-1.0	-64.38	381.39	1.86	-62.52
O=C(NCC1CCC(NC(=O)C2=NSNC2=O)C1)C1=CC([O-])=CS1	REAL300031156711	0	39	-1.0	-62.04	357.12	0.22	-61.82
O=C(NC1CCC(CNC(=O)C2=CN([O-])C(=O)C=C2)C1)C1=NSNC1=O	REAL300031156727	0	42	-1.0	-70.30	370.52	1.84	-68.46
CN1[N-]C(C(=O)NC2CCC(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031156879	0	42	-1.0	-56.29	370.71	-0.51	-56.80
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(CNC(=O)C2=NSNC2=O)C1	REAL300031156886	0	42	-1.0	-58.43	384.43	-2.37	-60.80
O=C(NCC1CCC(NC(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300031157035	0	40	-1.0	-55.87	360.44	-5.32	-61.19
O=C(NCC1CCC(NC(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300031157035	1	40	-1.0	-49.38	361.40	-4.53	-53.91
O=C(CN1[N-]C(=O)C=CC1=O)NC1CCC(CNC(=O)C2=NSNC2=O)C1	REAL300031157174	0	44	-1.0	-61.08	389.41	-1.65	-62.73
O=C(NCC1CCC(NC(=O)C2=CC(=O)[N-]O2)C1)C1=NSNC1=O	REAL300031157181	0	38	-1.0	-56.54	342.75	-1.68	-58.22
O=C(NCC1CCC(NC(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=NSNC1=O	REAL300031157192	0	42	-1.0	-53.62	373.04	-0.52	-54.14
CC1(C)CN(C(=O)C2=NNC(=O)[N-]C2=O)CC1NC(=O)C1=NSNC1=O	REAL300031158393	0	40	-1.0	-58.95	350.25	-2.90	-61.85
CC1(C)CN(C(=O)CN2C(=O)[N-]NC2=O)CC1NC(=O)C1=NSNC1=O	REAL300031158477	0	42	-1.0	-60.55	366.77	-1.55	-62.10
CC1(C)CN(C(=O)C2=CN([O-])C(=O)C=C2)CC1NC(=O)C1=NSNC1=O	REAL300031159068	0	42	-1.0	-69.53	361.36	2.59	-66.94
CC1(C)CN(C(=O)C2=CC(=O)NC([O-])=C2)CC1NC(=O)C1=NSNC1=O	REAL300031159182	0	42	-1.0	-54.10	370.19	-2.37	-56.47
CC1(C)CN(C(=O)C2=COC(=O)[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300031159193	1	38	-1.0	-59.17	335.57	-1.31	-60.48
CCN1[N-]C(C(=O)N2CC(NC(=O)C3=NSNC3=O)C(C)(C)C2)=CC1=O	REAL300031159363	0	45	-1.0	-58.68	384.96	1.56	-57.12
CC1(C)CN(C(=O)CC2=CC(=O)N[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300031159371	1	42	-1.0	-58.73	362.22	-0.67	-59.40
CC1(C)CN(C(=O)C2=CC=CC(=S)N2[O-])CC1NC(=O)C1=NSNC1=O	REAL300031159389	0	42	-1.0	-75.73	380.55	2.95	-72.78
CC1(C)CN(C(=O)CC2SC(=O)[N-]C2=O)CC1NC(=O)C1=NSNC1=O	REAL300031159398	0	42	-1.0	-53.04	376.22	-1.86	-54.90
CN1N=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)C(C)(C)C2)[N-]C1=O	REAL300031159414	0	41	-1.0	-64.40	355.12	-0.71	-65.11
CC1(C)CN(C(=O)C2=C[N-]N=CC2=O)CC1NC(=O)C1=NSNC1=O	REAL300031159503	0	40	-1.0	-57.29	353.14	0.39	-56.90
CC1(C)CN(C(=O)C2=CC(=O)N[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300031159602	0	39	-1.0	-55.77	340.42	-1.08	-56.85
CC1(C)CN(C(=O)C(=O)[PH](C)(C)[O-])CC1NC(=O)C1=NSNC1=O	REAL300031159607	0	44	-1.0	-53.59	372.21	0.39	-53.20
CC1(C)CN(C(=O)C2=CC=CN([O-])C2=O)CC1NC(=O)C1=NSNC1=O	REAL300031159638	0	42	-1.0	-83.06	369.36	2.50	-80.56
CC1SC(C(=O)N2CC(NC(=O)C3=NSNC3=O)C(C)(C)C2)=NC1=O	REAL300031159666	0	41	-1.0	-66.08	366.63	-0.67	-66.75
CC1=C([O-])N=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)C(C)(C)C2)S1	REAL300031159666	1	41	-1.0	-66.08	366.63	-0.67	-66.75
CC1(C)CN(C(=O)C2=CC(=O)C=C(Cl)N2)CC1NC(=O)C1=NSNC1=O	REAL300031159680	0	41	-1.0	-53.10	368.65	2.69	-50.41
CC1(C)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300031159680	1	41	-1.0	-53.10	368.65	2.69	-50.41
CC1(C)CN(C(=O)C2=CC(=O)N([O-])C=C2)CC1NC(=O)C1=NSNC1=O	REAL300031159697	0	42	-1.0	-70.42	361.65	2.59	-67.83
CC1(C)CN(C(=O)C2=CC=CC(=O)N2[O-])CC1NC(=O)C1=NSNC1=O	REAL300031159730	0	42	-1.0	-84.73	369.44	2.32	-82.41
CC1(C)CN(C(=O)CC2=C([O-])N=C(N)S2)CC1NC(=O)C1=NSNC1=O	REAL300031159853	0	43	-1.0	-72.15	382.43	-2.07	-74.22
CC1(C)CN(C(=O)CC2=NC([O-])=CS2)CC1NC(=O)C1=NSNC1=O	REAL300031159898	0	41	-1.0	-73.74	367.75	-1.54	-75.28
CCC1=NC=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)C(C)(C)C2)C(=O)N1	REAL300031159916	0	46	-1.0	-66.47	394.18	0.70	-65.77
CCC1=NC=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)C(C)(C)C2)C(=O)[N-]1	REAL300031159916	1	46	-1.0	-66.47	394.18	0.70	-65.77
CC1=CC(=O)C(C(=O)N2CC(NC(=O)C3=NSNC3=O)C(C)(C)C2)=N[N-]1	REAL300031160127	0	43	-1.0	-60.30	368.17	2.54	-57.76
CC1(C)CN(C(=O)C2=NNC(=O)[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300031160142	0	38	-1.0	-59.34	334.41	-2.73	-62.07
CC1(C)CN(C(=O)C2=CN=C(C=N[O-])S2)CC1NC(=O)C1=NSNC1=O	REAL300031160253	0	41	-1.0	-67.88	372.73	0.17	-67.71
COC1=NC(C(=O)N2CC(NC(=O)C3=NSNC3=O)C(C)(C)C2)=CC(=O)[N-]1	REAL300031160266	0	44	-1.0	-57.54	378.70	-2.73	-60.27
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NC=CC=C1[O-]	REAL300031160522	1	41	-1.0	-57.58	352.34	2.39	-55.19
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300031160645	0	40	-1.0	-52.01	350.35	-2.85	-54.86
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)CN1C(=O)[N-]NC1=O	REAL300031160805	0	42	-1.0	-51.80	365.24	-1.59	-53.39
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(Cl)=CC=C1[O-]	REAL300031162124	1	42	-1.0	-54.76	371.85	4.63	-50.13
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC([O-])=CC(C#N)=C1	REAL300031162149	1	43	-1.0	-47.96	378.01	2.83	-45.13
CCC1=NC=C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2(C)C)C(=O)[N-]1	REAL300031162232	1	46	-1.0	-44.75	384.74	1.33	-43.42
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=COC(=O)[N-]1	REAL300031162250	1	38	-1.0	-48.07	333.96	-1.78	-49.85
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C[N-]C(=O)C(F)(F)F	REAL300031162317	0	41	-1.0	-47.23	370.29	-1.15	-48.38
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)CC1=C([O-])N=C(N)S1	REAL300031162318	0	43	-1.0	-64.59	381.63	-1.98	-66.57
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C(F)C=C([O-])C=C1F	REAL300031162327	0	42	-1.0	-47.87	373.55	2.45	-45.42
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C([O-])C=C1F	REAL300031162342	1	42	-1.0	-52.10	361.04	2.44	-49.66
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC([O-])=CC(=O)O1	REAL300031162348	0	41	-1.0	-50.94	360.49	1.70	-49.24
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C(C#N)C([O-])=C1	REAL300031162355	1	43	-1.0	-56.72	377.31	2.91	-53.81
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(Cl)=NC=C1[O-]	REAL300031162358	0	41	-1.0	-51.86	367.15	2.71	-49.15
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)CN1N=CC(=O)[N-]C1=O	REAL300031162374	0	43	-1.0	-57.27	376.31	-2.55	-59.82
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C[N-]N=CC1=O	REAL300031162452	0	40	-1.0	-39.54	343.76	0.97	-38.57
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=CC(F)=C1[O-]	REAL300031162461	0	42	-1.0	-62.57	361.22	4.15	-58.42
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=CC([O-])=C1F	REAL300031162547	1	42	-1.0	-62.61	361.54	2.53	-60.08
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(=O)N[N-]1	REAL300031162645	0	39	-1.0	-46.69	339.79	-1.17	-47.86
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300031162651	0	44	-1.0	-44.46	371.89	0.67	-43.79
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300031162738	0	42	-1.0	-66.03	362.56	2.89	-63.14
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NNC(=O)[N-]1	REAL300031162762	0	38	-1.0	-49.83	334.28	-2.63	-52.46
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C(O)C=CC=C1Cl	REAL300031162765	0	42	-1.0	-52.47	376.38	2.82	-49.65
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C([O-])C=CC=C1Cl	REAL300031162765	1	42	-1.0	-52.47	376.38	2.82	-49.65
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=CN([O-])C1=O	REAL300031162769	0	42	-1.0	-57.70	359.84	3.04	-54.66
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C(F)C=CC(O)=C1F	REAL300031162798	0	42	-1.0	-50.21	372.68	2.28	-47.93
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C(F)C=CC([O-])=C1F	REAL300031162798	1	42	-1.0	-50.21	372.68	2.28	-47.93
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(F)=CC=C1O	REAL300031162933	0	42	-1.0	-54.39	361.54	4.17	-50.22
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(F)=CC=C1[O-]	REAL300031162933	1	42	-1.0	-54.39	361.54	4.17	-50.22
CC1=CC=NC(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2(C)C)=C1[O-]	REAL300031162996	1	44	-1.0	-57.22	372.67	3.10	-54.12
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CN=CC([O-])=C1	REAL300031163100	1	41	-1.0	-54.48	352.19	0.67	-53.81
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=CC(=S)N1[O-]	REAL300031163110	0	42	-1.0	-79.99	371.37	5.06	-74.93
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C([O-])C(Cl)=N1	REAL300031163217	0	41	-1.0	-47.34	370.54	1.25	-46.09
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C([O-])C=C1Cl	REAL300031163255	1	42	-1.0	-50.86	369.01	2.89	-47.97
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)CC1=NC([O-])=CS1	REAL300031163266	0	41	-1.0	-67.16	366.81	-1.12	-68.28
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C([O-])C=CC=C1F	REAL300031163281	1	42	-1.0	-54.61	366.89	2.44	-52.17
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300031163283	0	44	-1.0	-52.96	382.08	-0.45	-53.41
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C(F)C=C1[O-]	REAL300031163284	0	42	-1.0	-57.52	360.76	4.03	-53.49
CC1=CC=C(F)C([O-])=C1C(=O)NC1CN(C(=O)C2=NSNC2=O)CC1(C)C	REAL300031163314	0	45	-1.0	-60.47	386.45	3.02	-57.45
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)CC1SC(=O)[N-]C1=O	REAL300031163376	0	42	-1.0	-47.85	371.49	-1.69	-49.54
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C([O-])C(F)=C1F	REAL300031163401	0	42	-1.0	-55.04	367.89	2.67	-52.37
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=CC(Cl)=C1[O-]	REAL300031163407	0	42	-1.0	-57.44	371.03	4.61	-52.83
CC1=CC(=O)C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2(C)C)=N[N-]1	REAL300031163435	0	43	-1.0	-49.05	367.55	3.02	-46.03
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300031163460	0	42	-1.0	-76.16	360.26	4.03	-72.13
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C(C#N)[N-]C1=O	REAL300031163488	0	42	-1.0	-44.20	370.10	1.00	-43.20
CN1N=C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2(C)C)[N-]C1=O	REAL300031163534	0	41	-1.0	-52.41	357.04	-0.96	-53.37
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C(F)C=CC(O)=C1O	REAL300031163583	0	43	-1.0	-55.28	377.75	0.52	-54.76
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300031163583	1	43	-1.0	-55.28	377.75	0.52	-54.76
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(C#N)=CC=C1[O-]	REAL300031163592	0	43	-1.0	-51.98	375.95	4.52	-47.46
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300031163675	0	42	-1.0	-48.62	365.10	0.52	-48.10
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C(F)C(O)=C1	REAL300031163726	0	42	-1.0	-60.06	362.76	2.40	-57.66
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CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300031163811	0	40	-1.0	-53.57	353.30	-4.10	-57.67
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300031163811	1	40	-1.0	-44.22	352.56	-3.07	-47.29
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CN=C(N)[N-]C1=O	REAL300031163865	1	42	-1.0	-45.40	358.05	-0.32	-45.72
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COC1=NC(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2(C)C)=CC(=O)[N-]1	REAL300031163940	0	44	-1.0	-51.67	380.51	-3.16	-54.83
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NC=CC(Cl)=C1[O-]	REAL300031163949	0	41	-1.0	-53.89	368.45	2.91	-50.98
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C(Cl)C([O-])=C1	REAL300031163987	0	42	-1.0	-55.61	372.56	2.89	-52.72
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=NC=C1[O-]	REAL300031163996	1	41	-1.0	-57.43	350.31	2.30	-55.13
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300031164002	0	38	-1.0	-53.52	334.95	-0.56	-54.08
CC1=C([O-])N=C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2(C)C)S1	REAL300031164024	1	41	-1.0	-54.29	365.56	-0.67	-54.96
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C(=O)C1=CC=C([O-])C=C1	REAL300031164116	1	44	-1.0	-52.43	377.49	2.35	-50.08
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CN=C(C=N[O-])S1	REAL300031164135	0	41	-1.0	-63.45	375.55	0.55	-62.90
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031164156	1	41	-1.0	-45.37	370.45	2.26	-43.11
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300031164176	0	42	-1.0	-46.62	362.68	-2.02	-48.64
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CN1[N-]C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2(C)C)=CC1=O	REAL300031164252	0	42	-1.0	-50.86	362.94	0.66	-50.20
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300031164262	0	42	-1.0	-54.40	377.16	-1.23	-55.63
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)CC1=CC(=O)N[N-]1	REAL300031164389	1	42	-1.0	-56.23	360.96	-0.40	-56.63
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300031164394	1	42	-1.0	-54.38	362.72	2.44	-51.94
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300031164440	0	42	-1.0	-53.55	368.95	2.51	-51.04
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=NC(Cl)=C1[O-]	REAL300031164445	0	41	-1.0	-56.14	365.05	3.00	-53.14
CC1=C(CC(=O)NC2CN(C(=O)C3=NSNC3=O)CC2(C)C)C(=O)N(C)[N-]1	REAL300031164460	0	48	-1.0	-55.14	403.05	1.86	-53.28
CC1=CN=C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2(C)C)C([O-])=C1	REAL300031164496	1	44	-1.0	-58.13	373.29	2.90	-55.23
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC([O-])=CS1	REAL300031164517	0	39	-1.0	-57.90	349.52	1.42	-56.48
CC1(C)CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300031164533	0	42	-1.0	-66.05	362.81	3.04	-63.01
CN1[N-]C(C(=O)N2CC(NC(=O)C3=NSNC3=O)C(C)(C)C2)=CC1=O	REAL300031164685	0	42	-1.0	-58.03	363.15	0.63	-57.40
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300031164692	0	42	-1.0	-58.10	379.02	-1.19	-59.29
CC1(C)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1NC(=O)C1=NSNC1=O	REAL300031164841	0	40	-1.0	-61.47	353.16	-3.57	-65.04
CC1(C)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300031164841	1	40	-1.0	-52.41	352.03	-2.74	-55.15
CC1(C)CN(C(=O)CN2[N-]C(=O)C=CC2=O)CC1NC(=O)C1=NSNC1=O	REAL300031164980	0	44	-1.0	-61.57	382.88	-0.56	-62.13
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=NSNC1=O	REAL300031164987	0	38	-1.0	-59.96	335.51	-0.88	-60.84
CC1(C)CN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1NC(=O)C1=NSNC1=O	REAL300031164998	0	42	-1.0	-58.97	375.48	0.11	-58.86
CN(CC(O)CNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300031166042	1	44	-1.0	-54.81	388.77	-1.78	-56.59
CN(CC(O)CNC(=O)C1=NSNC1=O)C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300031166826	0	43	-1.0	-58.70	388.41	-7.30	-66.00
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CN(CC(O)CNC(=O)C1=NSNC1=O)C(=O)C1=NNC(=O)[N-]C1=O	REAL300031167160	0	37	-1.0	-58.98	338.67	-6.59	-65.57
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CN(CC(O)CNC(=O)C1=NSNC1=O)C(=O)C[N-]C(=O)C(F)(F)F	REAL300031169080	0	38	-1.0	-52.30	361.00	-4.98	-57.28
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CN(CC(O)CNC(=O)C1=NSNC1=O)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300031169170	0	40	-1.0	-64.59	366.98	-6.84	-71.43
CN(CC(O)CNC(=O)C1=NSNC1=O)C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300031169243	0	35	-1.0	-57.00	343.42	-4.00	-61.00
COCC1=NC=C(C(=O)N(C)CC(O)CNC(=O)C2=NSNC2=O)C(=O)N1	REAL300031169343	0	44	-1.0	-54.11	390.86	-4.19	-58.30
COCC1=NC=C(C(=O)N(C)CC(O)CNC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031169343	1	44	-1.0	-54.11	390.86	-4.19	-58.30
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CN(CC(O)CNC(=O)C1=NSNC1=O)C(=O)C1=NNC(=O)[N-]1	REAL300031169458	0	35	-1.0	-58.38	323.47	-6.51	-64.89
CN(CC(O)CNC(=O)C1=NSNC1=O)C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300031169482	0	40	-1.0	-54.47	365.21	-2.63	-57.10
CN(CC(O)CNC(=O)C1=NSNC1=O)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300031169482	1	40	-1.0	-54.47	365.21	-2.63	-57.10
CN(CC(O)CNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(C=N[O-])S1	REAL300031169612	0	38	-1.0	-70.36	361.87	-4.16	-74.52
CN(CC(O)CNC(=O)C1=NC=CC=C1O)C(=O)C1=NSNC1=O	REAL300031169891	0	38	-1.0	-66.16	340.04	-0.92	-67.08
CN(CC(O)CNC(=O)C1=NC=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300031169891	1	38	-1.0	-66.16	340.04	-0.92	-67.08
CN(CC(O)CNC(=O)CCN1C=C[N-]C(=O)C1=O)C(=O)C1=NSNC1=O	REAL300031170004	1	44	-1.0	-67.68	390.79	-2.78	-70.46
CN(CC(O)CNC(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031170041	0	37	-1.0	-58.68	339.23	-6.38	-65.06
CN(CC(O)CNC(=O)CN1C(=O)[N-]NC1=O)C(=O)C1=NSNC1=O	REAL300031170251	0	39	-1.0	-61.12	354.82	-5.38	-66.50
CN(CC(O)CNC(=O)C1=NC(=O)N[N-]1)C(=O)C1=NSNC1=O	REAL300031172989	0	35	-1.0	-54.64	322.26	-5.63	-60.27
CN(CC(O)CNC(=O)C1=C([O-])C=CC=C1Cl)C(=O)C1=NSNC1=O	REAL300031172994	1	39	-1.0	-66.33	365.37	-1.12	-67.45
CN(CC(O)CNC(=O)C1=CC=CN([O-])C1=O)C(=O)C1=NSNC1=O	REAL300031173001	0	39	-1.0	-67.06	348.02	-0.09	-67.15
CN(CC(O)CNC(=O)C1=C(F)C=CC([O-])=C1F)C(=O)C1=NSNC1=O	REAL300031173032	1	39	-1.0	-63.01	362.24	-1.52	-64.53
CN(CC(O)CNC(=O)C1=NC(N)=CC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031173142	0	39	-1.0	-64.95	353.31	-5.55	-70.50
CN(CC(O)CNC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)C1=NSNC1=O	REAL300031173209	0	39	-1.0	-56.98	362.12	-0.89	-57.87
CN(CC(O)CNC(=O)C1=CC(F)=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300031173216	1	39	-1.0	-64.47	350.38	0.23	-64.24
CC1=CC=NC(C(=O)NCC(O)CN(C)C(=O)C2=NSNC2=O)=C1[O-]	REAL300031173300	1	41	-1.0	-68.34	361.52	-0.84	-69.18
CN(CC(O)CNC(=O)C1=CN=CC([O-])=C1)C(=O)C1=NSNC1=O	REAL300031173451	1	38	-1.0	-61.96	341.16	-3.25	-65.21
CN(CC(O)CNC(=O)C1=CC=CC(=S)N1[O-])C(=O)C1=NSNC1=O	REAL300031173463	0	39	-1.0	-88.71	360.03	1.13	-87.58
CN(CC(O)CNC(=O)C1=CC=C([O-])C(Cl)=N1)C(=O)C1=NSNC1=O	REAL300031173611	0	38	-1.0	-51.83	358.03	-2.04	-53.87
CN(CC(O)CNC(=O)C1=CC=C([O-])C=C1Cl)C(=O)C1=NSNC1=O	REAL300031173668	1	39	-1.0	-58.86	358.62	-0.94	-59.80
CN(CC(O)CNC(=O)C1=CC(C#N)=C(N)C=C1[O-])C(=O)C1=NSNC1=O	REAL300031173670	0	42	-1.0	-63.52	377.37	-1.55	-65.07
CN(CC(O)CNC(=O)CC1=NC([O-])=CS1)C(=O)C1=NSNC1=O	REAL300031173682	0	38	-1.0	-76.25	355.66	-5.06	-81.31
CN(CC(O)CNC(=O)C1=C([O-])C=CC=C1F)C(=O)C1=NSNC1=O	REAL300031173703	1	39	-1.0	-66.95	355.87	-1.49	-68.44
CN(CC(O)CNC(=O)CN1[N-]C(=O)C=CC1=O)C(=O)C1=NSNC1=O	REAL300031173705	0	41	-1.0	-62.00	370.94	-4.40	-66.40
CN(CC(O)CNC(=O)C1=CC=C(F)C=C1[O-])C(=O)C1=NSNC1=O	REAL300031173707	0	39	-1.0	-67.34	350.37	0.24	-67.10
CC1=CC=C(F)C([O-])=C1C(=O)NCC(O)CN(C)C(=O)C1=NSNC1=O	REAL300031173752	0	42	-1.0	-65.40	375.31	-0.94	-66.34
CN(CC(O)CNC(=O)CC1SC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031173835	0	39	-1.0	-56.31	362.93	-5.83	-62.14
CN(CC(O)CNC(=O)C1=CC=C([O-])C(F)=C1F)C(=O)C1=NSNC1=O	REAL300031173863	0	39	-1.0	-61.92	356.74	-1.30	-63.22
CN(CC(O)CNC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031173866	1	40	-1.0	-46.51	364.16	-2.00	-48.51
CN(CC(O)CNC(=O)C1=CC=CC(Cl)=C1[O-])C(=O)C1=NSNC1=O	REAL300031173871	0	39	-1.0	-67.43	359.69	0.70	-66.73
CC1=CC(=O)C(C(=O)NCC(O)CN(C)C(=O)C2=NSNC2=O)=N[N-]1	REAL300031173906	0	40	-1.0	-57.73	356.71	-0.58	-58.31
CN(CC(O)CNC(=O)C=C([O-])C1=CC=C(O)C=C1)C(=O)C1=NSNC1=O	REAL300031173911	0	44	-1.0	-69.21	386.17	-0.68	-69.89
CN(CC(O)CNC(=O)C1=CC=CC(=O)N1[O-])C(=O)C1=NSNC1=O	REAL300031173940	0	39	-1.0	-85.55	348.91	0.09	-85.46
CN(CC(O)CNC(=O)C1=CC=C(C#N)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031173979	0	39	-1.0	-49.48	358.38	-2.73	-52.21
CN(CC(O)CNC(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C(=O)C1=NSNC1=O	REAL300031174005	0	41	-1.0	-52.07	372.03	0.13	-51.94
CN(CC(O)CNC(=O)C1=NN(C)C(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031174045	0	38	-1.0	-60.70	344.99	-4.13	-64.83
CN(CC(O)CNC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C(=O)C1=NSNC1=O	REAL300031174076	0	41	-1.0	-55.27	372.37	-2.94	-58.21
CN(CC(O)CNC(=O)C1=C(F)C=CC(O)=C1O)C(=O)C1=NSNC1=O	REAL300031174117	0	40	-1.0	-65.27	365.13	-2.76	-68.03
CN(CC(O)CNC(=O)C1=C(F)C=CC(O)=C1[O-])C(=O)C1=NSNC1=O	REAL300031174117	1	40	-1.0	-65.27	365.13	-2.76	-68.03
CN(CC(O)CNC(=O)C1=CC(C#N)=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300031174127	0	40	-1.0	-61.70	364.80	0.58	-61.12
CN(CC(O)CNC(=O)C1=CN([O-])C(=O)NC1=O)C(=O)C1=NSNC1=O	REAL300031174247	0	39	-1.0	-55.51	353.12	-2.61	-58.12
CN(CC(O)CNC(=O)C1=CC=C(F)C([O-])=C1)C(=O)C1=NSNC1=O	REAL300031174307	1	39	-1.0	-61.07	352.36	-1.41	-62.48
CN(CC(O)CNC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C(=O)C1=NSNC1=O	REAL300031174317	0	41	-1.0	-64.07	372.13	0.84	-63.23
CN(CC(O)CNC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300031174320	0	41	-1.0	-57.68	372.14	0.84	-56.84
CN(CC(O)C[N-]C(=O)C(F)(F)C(F)(F)F)C(=O)C1=NSNC1=O	REAL300031174322	0	34	-1.0	-49.42	328.95	-1.98	-51.40
CN(CC(O)CNC(=O)C1=CC=C(Cl)C=C1[O-])C(=O)C1=NSNC1=O	REAL300031174332	1	39	-1.0	-67.08	360.69	0.69	-66.39
CN(CC(O)CNC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C(=O)C1=NSNC1=O	REAL300031174353	0	41	-1.0	-53.86	374.34	-0.81	-54.67
CN(CC(O)CNC(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)C1=NSNC1=O	REAL300031174423	0	37	-1.0	-58.11	341.11	-7.43	-65.54
CN(CC(O)CNC(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031174423	1	37	-1.0	-51.29	341.43	-6.63	-57.92
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CN(CC(O)CNC(=O)C1=CC=C(F)C([O-])=C1F)C(=O)C1=NSNC1=O	REAL300031174562	0	39	-1.0	-70.47	356.70	-1.33	-71.80
CN(CC(O)CNC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C(=O)C1=NSNC1=O	REAL300031174621	1	40	-1.0	-54.21	364.85	-1.30	-55.51
COC1=NC(C(=O)NCC(O)CN(C)C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300031174626	0	41	-1.0	-58.87	368.39	-6.32	-65.19
CN(CC(O)CNC(=O)C1=CC=C2N[N-]N=C2C1=O)C(=O)C1=NSNC1=O	REAL300031174627	0	41	-1.0	-63.25	363.05	-0.83	-64.08
CN(CC(O)CNC(=O)C1=NC=CC(Cl)=C1[O-])C(=O)C1=NSNC1=O	REAL300031174639	0	38	-1.0	-64.54	357.40	-1.01	-65.55
CN(CC(O)CNC(=O)C1=CC=C(Cl)C([O-])=C1)C(=O)C1=NSNC1=O	REAL300031174684	0	39	-1.0	-57.28	362.16	-0.92	-58.20
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CN(CC(O)CNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NSNC1=O	REAL300031174704	0	35	-1.0	-58.82	322.73	-3.90	-62.72
CC1=C([O-])N=C(C(=O)NCC(O)CN(C)C(=O)C2=NSNC2=O)S1	REAL300031174734	1	38	-1.0	-64.06	355.37	-4.86	-68.92
CN(CC(O)CNC(=O)C(=O)C1=CC=C([O-])C=C1)C(=O)C1=NSNC1=O	REAL300031174850	1	41	-1.0	-57.22	364.95	-0.94	-58.16
CN(CC(O)CNC(=O)C1=CN=C(C=N[O-])S1)C(=O)C1=NSNC1=O	REAL300031174882	0	38	-1.0	-67.01	363.04	-2.74	-69.75
CN(CC(O)CNC(=O)C1=CC(=O)C=C(Cl)[N-]1)C(=O)C1=NSNC1=O	REAL300031174912	1	38	-1.0	-51.29	357.82	-1.03	-52.32
CN(CC(O)CNC(=O)C1=CC(=O)NC([O-])=C1)C(=O)C1=NSNC1=O	REAL300031174943	0	39	-1.0	-55.45	352.25	-5.82	-61.27
CN(CC(O)CNC(=O)C1=NSNC1=O)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300031176021	0	41	-1.0	-61.21	373.09	-4.73	-65.94
CN(CC(O)CNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300031176033	0	35	-1.0	-59.00	323.55	-4.90	-63.90
CN(CC(O)CNC(=O)C1=NSNC1=O)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300031176049	0	39	-1.0	-56.18	358.86	-4.03	-60.21
CN(CC(O)CNC(=O)C1=NSNC1=O)C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300031176080	1	40	-1.0	-45.65	369.75	-2.66	-48.31
CCN1[N-]C(C(=O)N(C)CC(O)CN(C)C(=O)C2=NSNC2=O)=CC1=O	REAL300031178064	0	45	-1.0	-66.06	384.75	1.48	-64.58
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300031178071	1	42	-1.0	-72.80	363.76	-1.05	-73.85
CN(CC(O)CN(C)C(=O)C1=CC=CC(=S)N1[O-])C(=O)C1=NSNC1=O	REAL300031178084	0	42	-1.0	-99.53	382.67	1.53	-98.00
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)C1=NN(C)C(=O)[N-]1	REAL300031178107	0	41	-1.0	-75.22	360.12	-2.37	-77.59
CN(CC(O)CN(C)C(=O)C1=C[N-]N=CC1=O)C(=O)C1=NSNC1=O	REAL300031178187	0	40	-1.0	-51.76	354.35	-0.14	-51.90
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N[N-]1	REAL300031178272	0	39	-1.0	-62.20	340.18	-1.16	-63.36
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)C(=O)[PH](C)(C)[O-]	REAL300031178277	0	44	-1.0	-52.49	375.54	-0.17	-52.66
CN(CC(O)CN(C)C(=O)C1=CC=CN([O-])C1=O)C(=O)C1=NSNC1=O	REAL300031178305	0	42	-1.0	-96.84	371.79	1.11	-95.73
CC1SC(C(=O)N(C)CC(O)CN(C)C(=O)C2=NSNC2=O)=NC1=O	REAL300031178330	0	41	-1.0	-68.51	368.78	-1.68	-70.19
CC1=C([O-])N=C(C(=O)N(C)CC(O)CN(C)C(=O)C2=NSNC2=O)S1	REAL300031178330	1	41	-1.0	-68.51	368.78	-1.68	-70.19
CN(CC(O)CN(C)C(=O)C1=CC(=O)N([O-])C=C1)C(=O)C1=NSNC1=O	REAL300031178359	0	42	-1.0	-85.31	363.43	0.98	-84.33
CN(CC(O)CN(C)C(=O)C1=CC=CC(=O)N1[O-])C(=O)C1=NSNC1=O	REAL300031178389	0	42	-1.0	-96.70	371.56	0.91	-95.79
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)CC1=NC([O-])=CS1	REAL300031178543	0	41	-1.0	-84.65	369.61	-1.77	-86.42
CCC1=NC=C(C(=O)N(C)CC(O)CN(C)C(=O)C2=NSNC2=O)C(=O)N1	REAL300031178561	0	46	-1.0	-60.69	390.43	0.60	-60.09
CCC1=NC=C(C(=O)N(C)CC(O)CN(C)C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031178561	1	46	-1.0	-60.69	390.43	0.60	-60.09
CC1=CC(=O)C(C(=O)N(C)CC(O)CN(C)C(=O)C2=NSNC2=O)=N[N-]1	REAL300031178756	0	43	-1.0	-56.32	370.49	1.89	-54.43
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)N[N-]1	REAL300031178769	0	38	-1.0	-64.89	337.37	-3.23	-68.12
CN(CC(O)CN(C)C(=O)C1=NC=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300031179136	1	41	-1.0	-76.72	352.43	2.16	-74.56
CN(CC(O)CN(C)C(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031179253	0	40	-1.0	-57.76	353.32	-3.98	-61.74
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)CN1C(=O)[N-]NC1=O	REAL300031179394	0	42	-1.0	-58.30	370.41	-2.65	-60.95
CN(CC(O)CN(C)C(=O)C1=CC([O-])=CC(C#N)=C1)C(=O)C1=NSNC1=O	REAL300031180598	1	43	-1.0	-56.52	376.47	2.04	-54.48
CCC1=NC=C(C(=O)N(C)CC(O)CN(C)C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031180672	1	46	-1.0	-60.69	390.43	0.60	-60.09
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)C1=COC(=O)[N-]1	REAL300031180690	1	38	-1.0	-58.92	335.63	-1.52	-60.44
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)C[N-]C(=O)C(F)(F)F	REAL300031180753	0	41	-1.0	-67.43	374.79	-2.91	-70.34
CN(CC(O)CN(C)C(=O)C1=CC=C([O-])C=C1F)C(=O)C1=NSNC1=O	REAL300031180774	1	42	-1.0	-67.30	360.69	1.64	-65.66
CN(CC(O)CN(C)C(=O)C1=CC([O-])=CC(=O)O1)C(=O)C1=NSNC1=O	REAL300031180780	0	41	-1.0	-61.69	360.36	1.22	-60.47
CN(CC(O)CN(C)C(=O)C1=CC=C(C#N)C([O-])=C1)C(=O)C1=NSNC1=O	REAL300031180785	1	43	-1.0	-62.51	377.73	0.84	-61.67
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300031180802	0	43	-1.0	-75.75	379.11	-3.24	-78.99
CC1=CC=C([O-])C(C(=O)N(C)CC(O)CN(C)C(=O)C2=NSNC2=O)=N1	REAL300031180857	1	44	-1.0	-85.11	375.77	1.84	-83.27
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)CCC1=NNC(=O)[N-]1	REAL300031180858	0	44	-1.0	-57.11	379.99	-2.05	-59.16
CN(CC(O)CN(C)C(=O)C1=C[N-]N=CC1=O)C(=O)C1=NSNC1=O	REAL300031180872	0	40	-1.0	-51.76	354.35	-0.14	-51.90
CN(CC(O)CN(C)C(=O)C1=CC=CC(F)=C1[O-])C(=O)C1=NSNC1=O	REAL300031180880	0	42	-1.0	-66.52	365.02	1.98	-64.54
CN(CC(O)CN(C)C(=O)C1=CC=CC([O-])=C1F)C(=O)C1=NSNC1=O	REAL300031180961	1	42	-1.0	-65.42	365.26	1.24	-64.18
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N[N-]1	REAL300031181051	0	39	-1.0	-62.20	340.18	-1.16	-63.36
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)C(=O)[PH](C)(C)[O-]	REAL300031181057	0	44	-1.0	-52.49	375.54	-0.17	-52.66
CN(CC(O)CN(C)C(=O)C1=CC(=O)N([O-])C=C1)C(=O)C1=NSNC1=O	REAL300031181137	0	42	-1.0	-85.31	363.43	0.98	-84.33
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)N[N-]1	REAL300031181159	0	38	-1.0	-64.89	337.37	-3.23	-68.12
CN(CC(O)CN(C)C(=O)C1=CC=CN([O-])C1=O)C(=O)C1=NSNC1=O	REAL300031181164	0	42	-1.0	-96.84	371.79	1.11	-95.73
CN(CC(O)CN(C)C(=O)C1=CC(F)=CC=C1O)C(=O)C1=NSNC1=O	REAL300031181309	0	42	-1.0	-69.83	364.64	2.39	-67.44
CN(CC(O)CN(C)C(=O)C1=CC(F)=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300031181309	1	42	-1.0	-69.83	364.64	2.39	-67.44
CC1=CC=NC(C(=O)N(C)CC(O)CN(C)C(=O)C2=NSNC2=O)=C1O	REAL300031181368	0	44	-1.0	-75.93	372.35	3.01	-72.92
CC1=CC=NC(C(=O)N(C)CC(O)CN(C)C(=O)C2=NSNC2=O)=C1[O-]	REAL300031181368	1	44	-1.0	-75.93	372.35	3.01	-72.92
CN(CC(O)CN(C)C(=O)C1=CN=CC(O)=C1)C(=O)C1=NSNC1=O	REAL300031181458	0	41	-1.0	-70.57	350.60	-0.19	-70.76
CN(CC(O)CN(C)C(=O)C1=CN=CC([O-])=C1)C(=O)C1=NSNC1=O	REAL300031181458	1	41	-1.0	-70.57	350.60	-0.19	-70.76
CN(CC(O)CN(C)C(=O)C1=CC=CC(=S)N1[O-])C(=O)C1=NSNC1=O	REAL300031181466	0	42	-1.0	-99.53	382.67	1.53	-98.00
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)CC1=NC([O-])=CS1	REAL300031181605	0	41	-1.0	-84.65	369.61	-1.77	-86.42
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300031181621	0	44	-1.0	-70.19	384.88	-1.13	-71.32
CC1=CC(=O)C(C(=O)N(C)CC(O)CN(C)C(=O)C2=NSNC2=O)=N[N-]1	REAL300031181758	0	43	-1.0	-56.32	370.49	1.89	-54.43
CN(CC(O)CN(C)C(=O)C1=CC=CC(=O)N1[O-])C(=O)C1=NSNC1=O	REAL300031181779	0	42	-1.0	-96.70	371.56	0.91	-95.79
CN(CC(O)CN(C)C(=O)C1=CC=C(C#N)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031181802	0	42	-1.0	-75.29	381.35	-1.17	-76.46
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)C1=NN(C)C(=O)[N-]1	REAL300031181840	0	41	-1.0	-75.22	360.12	-2.37	-77.59
CN(CC(O)CN(C)C(=O)C1=CC=C(C#N)C=C1[O-])C(=O)C1=NSNC1=O	REAL300031181884	0	43	-1.0	-75.82	374.81	3.27	-72.55
CN(CC(O)CN(C)C(=O)C1=CC(C#N)=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300031181891	0	43	-1.0	-56.57	380.71	2.22	-54.35
CN(CC(O)CN(C)C(=O)C1=CC=C(F)C([O-])=C1)C(=O)C1=NSNC1=O	REAL300031182017	1	42	-1.0	-66.49	363.79	0.47	-66.02
CN(CC(O)CN(C)C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)C1=NSNC1=O	REAL300031182090	0	40	-1.0	-62.51	356.21	-4.10	-66.61
CN(CC(O)CN(C)C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031182090	1	40	-1.0	-62.51	356.21	-4.10	-66.61
CN(CC(O)CN(C)C(=O)C1=CN=C(N)NC1=O)C(=O)C1=NSNC1=O	REAL300031182141	0	42	-1.0	-72.90	368.76	-1.50	-74.40
CN(CC(O)CN(C)C(=O)C1=CN=C(N)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031182141	1	42	-1.0	-72.90	368.76	-1.50	-74.40
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300031182259	0	38	-1.0	-66.79	335.50	-1.51	-68.30
CC1SC(C(=O)N(C)CC(O)CN(C)C(=O)C2=NSNC2=O)=NC1=O	REAL300031182278	0	41	-1.0	-68.51	368.78	-1.68	-70.19
CC1=C([O-])N=C(C(=O)N(C)CC(O)CN(C)C(=O)C2=NSNC2=O)S1	REAL300031182278	1	41	-1.0	-68.51	368.78	-1.68	-70.19
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)C(=O)C1=CC=C(O)C=C1	REAL300031182363	0	44	-1.0	-55.64	388.47	0.96	-54.68
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300031182363	1	44	-1.0	-55.64	388.47	0.96	-54.68
CN(CC(O)CN(C)C(=O)C1=CC(=O)NC([O-])=C1)C(=O)C1=NSNC1=O	REAL300031182412	0	42	-1.0	-60.52	361.82	-2.75	-63.27
CCN1[N-]C(C(=O)N(C)CC(O)CN(C)C(=O)C2=NSNC2=O)=CC1=O	REAL300031182465	0	45	-1.0	-66.06	384.75	1.48	-64.58
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(C)[N-]1	REAL300031182482	0	42	-1.0	-65.17	363.01	0.55	-64.62
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)NN1	REAL300031182600	0	42	-1.0	-72.80	363.76	-1.05	-73.85
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300031182600	1	42	-1.0	-72.80	363.76	-1.05	-73.85
CN(CC(O)CN(C)C(=O)C1=CC=C(O)C(F)=C1)C(=O)C1=NSNC1=O	REAL300031182605	0	42	-1.0	-69.63	363.75	0.50	-69.13
CN(CC(O)CN(C)C(=O)C1=CC=C([O-])C(F)=C1)C(=O)C1=NSNC1=O	REAL300031182605	1	42	-1.0	-69.63	363.75	0.50	-69.13
CC1=CN=C(C(=O)N(C)CC(O)CN(C)C(=O)C2=NSNC2=O)C(O)=C1	REAL300031182693	0	44	-1.0	-78.09	373.47	2.94	-75.15
CC1=CN=C(C(=O)N(C)CC(O)CN(C)C(=O)C2=NSNC2=O)C([O-])=C1	REAL300031182693	1	44	-1.0	-78.09	373.47	2.94	-75.15
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC([O-])=CS1	REAL300031182710	0	39	-1.0	-81.16	349.34	-0.76	-81.92
CN(CC(O)CN(C)C(=O)C1=CN([O-])C(=O)C=C1)C(=O)C1=NSNC1=O	REAL300031182725	0	42	-1.0	-75.27	372.15	1.12	-74.15
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(C)[N-]1	REAL300031182864	0	42	-1.0	-65.17	363.01	0.55	-64.62
CN(CC(O)CN(C)C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)C1=NSNC1=O	REAL300031183002	0	40	-1.0	-56.59	354.88	-4.19	-60.78
CN(CC(O)CN(C)C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031183002	1	40	-1.0	-62.51	356.21	-4.10	-66.61
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300031183129	0	44	-1.0	-70.19	384.88	-1.13	-71.32
CN(CC(O)CN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300031183136	0	38	-1.0	-66.79	335.50	-1.51	-68.30
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)C1=NNC(=O)[N-]C1=O	REAL300031184165	0	42	-1.0	-54.06	348.36	-0.75	-54.81
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)CN1C(=O)[N-]NC1=O	REAL300031184233	0	44	-1.0	-69.08	376.01	0.58	-68.50
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CN([O-])C(=O)C=C1	REAL300031184709	0	44	-1.0	-85.68	363.63	4.14	-81.54
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)NC([O-])=C1	REAL300031184804	0	44	-1.0	-49.11	377.60	-0.21	-49.32
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)C1=COC(=O)[N-]1	REAL300031184815	1	40	-1.0	-44.62	335.85	2.28	-42.34
CCN1[N-]C(C(=O)N(CCN(C)C(=O)C2=NSNC2=O)C(C)C)=CC1=O	REAL300031184959	0	47	-1.0	-53.10	392.08	3.71	-49.39
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300031184965	1	44	-1.0	-69.18	371.01	1.66	-67.52
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC=CC(=S)N1[O-]	REAL300031184977	0	44	-1.0	-111.36	373.32	6.24	-105.12
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)C1=NN(C)C(=O)[N-]1	REAL300031184998	0	43	-1.0	-56.02	365.08	1.23	-54.79
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)C1=C[N-]N=CC1=O	REAL300031185075	0	42	-1.0	-54.91	346.87	2.44	-52.47
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N[N-]1	REAL300031185154	0	41	-1.0	-49.94	347.52	1.06	-48.88
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)C(=O)[PH](C)(C)[O-]	REAL300031185158	0	46	-1.0	-63.41	376.43	3.53	-59.88
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC=CN([O-])C1=O	REAL300031185186	0	44	-1.0	-73.75	376.86	4.69	-69.06
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)C(C)S1	REAL300031185211	0	43	-1.0	-46.47	365.52	2.59	-43.88
CC1=C([O-])N=C(C(=O)N(CCN(C)C(=O)C2=NSNC2=O)C(C)C)S1	REAL300031185211	1	43	-1.0	-46.47	365.52	2.59	-43.88
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)C=C(Cl)N1	REAL300031185222	0	43	-1.0	-59.00	367.69	4.66	-54.34
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031185222	1	43	-1.0	-59.00	367.69	4.66	-54.34
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N([O-])C=C1	REAL300031185234	0	44	-1.0	-69.06	363.46	4.21	-64.85
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC=CC(=O)N1[O-]	REAL300031185261	0	44	-1.0	-108.33	362.22	5.27	-103.06
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)CC1=NC([O-])=CS1	REAL300031185397	0	43	-1.0	-78.12	376.86	0.96	-77.16
CCC1=NC=C(C(=O)N(CCN(C)C(=O)C2=NSNC2=O)C(C)C)C(=O)N1	REAL300031185411	0	48	-1.0	-50.32	389.31	2.73	-47.59
CCC1=NC=C(C(=O)N(CCN(C)C(=O)C2=NSNC2=O)C(C)C)C(=O)[N-]1	REAL300031185411	1	48	-1.0	-50.32	389.31	2.73	-47.59
CC1=CC(=O)C(C(=O)N(CCN(C)C(=O)C2=NSNC2=O)C(C)C)=N[N-]1	REAL300031185590	0	45	-1.0	-52.90	368.38	5.11	-47.79
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)N[N-]1	REAL300031185601	0	40	-1.0	-49.34	342.31	0.40	-48.94
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CN=C(C=N[O-])S1	REAL300031185687	0	43	-1.0	-61.97	371.72	1.59	-60.38
CC(C)N(CCN(C)C(=O)C1=NC=CC=C1O)C(=O)C1=NSNC1=O	REAL300031185950	0	43	-1.0	-62.11	356.48	4.85	-57.26
CC(C)N(CCN(C)C(=O)C1=NC=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300031185950	1	43	-1.0	-62.11	356.48	4.85	-57.26
CC(C)N(CCN(C)C(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031186071	0	42	-1.0	-54.94	355.78	-1.05	-55.99
CC(C)N(CCN(C)C(=O)CN1C(=O)[N-]NC1=O)C(=O)C1=NSNC1=O	REAL300031186226	0	44	-1.0	-46.85	363.53	0.77	-46.08
CC(C)N(CCN(C)C(=O)C1=CC(Cl)=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300031187490	1	44	-1.0	-47.98	370.28	5.75	-42.23
CC(C)N(CCN(C)C(=O)C1=CC([O-])=CC(C#N)=C1)C(=O)C1=NSNC1=O	REAL300031187514	1	45	-1.0	-44.73	376.13	4.50	-40.23
CCC1=NC=C(C(=O)N(C)CCN(C(=O)C2=NSNC2=O)C(C)C)C(=O)[N-]1	REAL300031187594	1	48	-1.0	-58.01	398.60	2.88	-55.13
CC(C)N(CCN(C)C(=O)C1=COC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031187612	1	40	-1.0	-52.00	339.49	1.21	-50.79
CC(C)N(CCN(C)C(=O)C[N-]C(=O)C(F)(F)F)C(=O)C1=NSNC1=O	REAL300031187676	0	43	-1.0	-41.63	367.99	1.05	-40.58
CC(C)N(CCN(C)C(=O)C1=CC=C([O-])C=C1F)C(=O)C1=NSNC1=O	REAL300031187697	1	44	-1.0	-54.43	360.07	4.19	-50.24
CC(C)N(CCN(C)C(=O)C1=CC([O-])=CC(=O)O1)C(=O)C1=NSNC1=O	REAL300031187703	0	43	-1.0	-48.71	359.09	3.62	-45.09
CC(C)N(CCN(C)C(=O)C1=CC=C(C#N)C([O-])=C1)C(=O)C1=NSNC1=O	REAL300031187709	1	45	-1.0	-46.99	375.40	4.55	-42.44
CC(C)N(CCN(C)C(=O)C1=CC(Cl)=NC=C1[O-])C(=O)C1=NSNC1=O	REAL300031187712	0	43	-1.0	-54.95	373.67	3.55	-51.40
CC(C)N(CCN(C)C(=O)CN1N=CC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031187727	0	45	-1.0	-79.50	383.67	-0.74	-80.24
CC1=CC=C([O-])C(C(=O)N(C)CCN(C(=O)C2=NSNC2=O)C(C)C)=N1	REAL300031187787	1	46	-1.0	-62.80	378.07	5.42	-57.38
CC(C)N(CCN(C)C(=O)C1=C[N-]N=CC1=O)C(=O)C1=NSNC1=O	REAL300031187804	0	42	-1.0	-41.52	349.10	2.95	-38.57
CC(C)N(CCN(C)C(=O)C1=CC=CC(F)=C1[O-])C(=O)C1=NSNC1=O	REAL300031187813	0	44	-1.0	-55.99	359.77	5.32	-50.67
CC(C)N(CCN(C)C(=O)C1=CC=CC([O-])=C1F)C(=O)C1=NSNC1=O	REAL300031187898	1	44	-1.0	-58.25	360.02	4.35	-53.90
CC(C)N(CCN(C)C(=O)C1=CC(=O)N[N-]1)C(=O)C1=NSNC1=O	REAL300031187994	0	41	-1.0	-64.22	344.82	1.08	-63.14
CC(C)N(CCN(C)C(=O)C(=O)[PH](C)(C)[O-])C(=O)C1=NSNC1=O	REAL300031188000	0	46	-1.0	-39.79	373.98	3.14	-36.65
CC(C)N(CCN(C)C(=O)CC1=CC(=O)N(C)[N-]1)C(=O)C1=NSNC1=O	REAL300031188005	0	47	-1.0	-62.16	384.99	3.38	-58.78
CC(C)N(CCN(C)C(=O)C1=CC(=O)N([O-])C=C1)C(=O)C1=NSNC1=O	REAL300031188083	0	44	-1.0	-68.87	361.42	4.66	-64.21
CC(C)N(CCN(C)C(=O)C1=NC(=O)N[N-]1)C(=O)C1=NSNC1=O	REAL300031188106	0	40	-1.0	-45.14	333.63	0.54	-44.60
CC(C)N(CCN(C)C(=O)C1=C([O-])C=CC=C1Cl)C(=O)C1=NSNC1=O	REAL300031188108	1	44	-1.0	-53.32	377.97	4.79	-48.53
CC(C)N(CCN(C)C(=O)C1=CC=CN([O-])C1=O)C(=O)C1=NSNC1=O	REAL300031188112	0	44	-1.0	-73.36	373.81	4.68	-68.68
CC(C)N(CCN(C)C(=O)C1=NC(N)=CC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031188220	0	44	-1.0	-59.26	368.45	0.82	-58.44
CC(C)N(CCN(C)C(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)C1=NSNC1=O	REAL300031188263	0	44	-1.0	-50.02	371.21	4.71	-45.31
CC(C)N(CCN(C)C(=O)C1=CC(F)=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300031188268	1	44	-1.0	-47.66	359.96	5.31	-42.35
CC1=CC=NC(C(=O)N(C)CCN(C(=O)C2=NSNC2=O)C(C)C)=C1[O-]	REAL300031188330	1	46	-1.0	-58.86	371.24	5.68	-53.18
CC(C)N(CCN(C)C(=O)C1=CN=CC([O-])=C1)C(=O)C1=NSNC1=O	REAL300031188430	1	43	-1.0	-45.75	348.39	2.51	-43.24
CC(C)N(CCN(C)C(=O)C1=CC=CC(=S)N1[O-])C(=O)C1=NSNC1=O	REAL300031188439	0	44	-1.0	-69.75	375.96	5.58	-64.17
CC(C)N(CCN(C)C(=O)C1=CC=C([O-])C(Cl)=N1)C(=O)C1=NSNC1=O	REAL300031188540	0	43	-1.0	-57.93	375.49	3.67	-54.26
CC(C)N(CCN(C)C(=O)C1=CC=C([O-])C=C1Cl)C(=O)C1=NSNC1=O	REAL300031188575	1	44	-1.0	-52.85	368.20	4.64	-48.21
CC(C)N(CCN(C)C(=O)CC1=NC([O-])=CS1)C(=O)C1=NSNC1=O	REAL300031188586	0	43	-1.0	-71.29	368.01	0.95	-70.34
CC(C)N(CCN(C)C(=O)C1=C([O-])C=CC=C1F)C(=O)C1=NSNC1=O	REAL300031188601	1	44	-1.0	-53.96	368.48	4.41	-49.55
CC(C)N(CCN(C)C(=O)CN1[N-]C(=O)C=CC1=O)C(=O)C1=NSNC1=O	REAL300031188602	0	46	-1.0	-75.31	389.45	1.36	-73.95
CC(C)N(CCN(C)C(=O)C1=CC=C(F)C=C1[O-])C(=O)C1=NSNC1=O	REAL300031188603	0	44	-1.0	-62.02	359.80	5.66	-56.36
CC1=CC=C(F)C([O-])=C1C(=O)N(C)CCN(C(=O)C1=NSNC1=O)C(C)C	REAL300031188633	0	47	-1.0	-63.78	393.95	4.81	-58.97
CC(C)N(CCN(C)C(=O)C1=CC=CC(Cl)=C1[O-])C(=O)C1=NSNC1=O	REAL300031188721	0	44	-1.0	-50.74	369.56	5.79	-44.95
CC1=CC(=O)C(C(=O)N(C)CCN(C(=O)C2=NSNC2=O)C(C)C)=N[N-]1	REAL300031188749	0	45	-1.0	-53.96	373.14	4.86	-49.10
CC(C)N(CCN(C)C(=O)C1=CC=CC(=O)N1[O-])C(=O)C1=NSNC1=O	REAL300031188773	0	44	-1.0	-64.81	364.84	4.99	-59.82
CC(C)N(CCN(C)C(=O)C1=CC=C(C#N)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031188797	0	44	-1.0	-53.85	383.52	2.41	-51.44
CC(C)N(CCN(C)C(=O)C1=NN(C)C(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031188839	0	43	-1.0	-54.37	356.52	1.41	-52.96
CC(C)N(CCN(C)C(=O)C1=C(F)C=CC(O)=C1O)C(=O)C1=NSNC1=O	REAL300031188885	0	45	-1.0	-75.86	385.34	2.32	-73.54
CC(C)N(CCN(C)C(=O)C1=C(F)C=CC(O)=C1[O-])C(=O)C1=NSNC1=O	REAL300031188885	1	45	-1.0	-75.86	385.34	2.32	-73.54
CC(C)N(CCN(C)C(=O)C1=CC(C#N)=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300031188894	0	45	-1.0	-54.99	383.07	5.35	-49.64
CC(C)N(CCN(C)C(=O)C1=CN([O-])C(=O)NC1=O)C(=O)C1=NSNC1=O	REAL300031188974	0	44	-1.0	-64.63	377.71	2.12	-62.51
CC(C)N(CCN(C)C(=O)C1=CC=C(F)C([O-])=C1)C(=O)C1=NSNC1=O	REAL300031189025	1	44	-1.0	-50.04	361.49	4.17	-45.87
CC(C)N(CCN(C)C(=O)C1=CC=C(Cl)C=C1[O-])C(=O)C1=NSNC1=O	REAL300031189043	1	44	-1.0	-61.32	370.10	6.12	-55.20
CC(C)N(CCN(C)C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)C1=NSNC1=O	REAL300031189106	0	42	-1.0	-42.98	352.59	-0.36	-43.34
CC(C)N(CCN(C)C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031189106	1	42	-1.0	-42.98	352.59	-0.36	-43.34
CC(C)N(CCN(C)C(=O)C1=CN=C(N)NC1=O)C(=O)C1=NSNC1=O	REAL300031189160	0	44	-1.0	-58.47	371.96	1.23	-57.24
CC(C)N(CCN(C)C(=O)C1=CN=C(N)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031189160	1	44	-1.0	-58.47	371.96	1.23	-57.24
CC(C)N(CCN(C)C(=O)C1=NC=CC(Cl)=C1[O-])C(=O)C1=NSNC1=O	REAL300031189241	0	43	-1.0	-44.28	364.15	5.49	-38.79
CC(C)N(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NSNC1=O	REAL300031189293	0	40	-1.0	-55.18	340.62	1.31	-53.87
CC(C)N(CCN(C)C(=O)C1=NC(=O)C(C)S1)C(=O)C1=NSNC1=O	REAL300031189315	0	43	-1.0	-57.91	371.13	1.94	-55.97
CC1=C([O-])N=C(C(=O)N(C)CCN(C(=O)C2=NSNC2=O)C(C)C)S1	REAL300031189315	1	43	-1.0	-57.91	371.13	1.94	-55.97
CC(C)N(CCN(C)C(=O)C(=O)C1=CC=C(O)C=C1)C(=O)C1=NSNC1=O	REAL300031189403	0	46	-1.0	-49.07	382.18	4.38	-44.69
CC(C)N(CCN(C)C(=O)C(=O)C1=CC=C([O-])C=C1)C(=O)C1=NSNC1=O	REAL300031189403	1	46	-1.0	-49.07	382.18	4.38	-44.69
CC(C)N(CCN(C)C(=O)C1=CN=C(C=N[O-])S1)C(=O)C1=NSNC1=O	REAL300031189420	0	43	-1.0	-65.70	371.92	2.09	-63.61
CC(C)N(CCN(C)C(=O)C1=CC(=O)C=C(Cl)N1)C(=O)C1=NSNC1=O	REAL300031189439	0	43	-1.0	-39.82	365.97	5.03	-34.79
CC(C)N(CCN(C)C(=O)C1=CC(=O)C=C(Cl)[N-]1)C(=O)C1=NSNC1=O	REAL300031189439	1	43	-1.0	-39.82	365.97	5.03	-34.79
CC(C)N(CCN(C)C(=O)C1=CC(=O)NC([O-])=C1)C(=O)C1=NSNC1=O	REAL300031189459	0	44	-1.0	-49.96	374.62	-0.20	-50.16
CCN1[N-]C(C(=O)N(C)CCN(C(=O)C2=NSNC2=O)C(C)C)=CC1=O	REAL300031189515	0	47	-1.0	-54.22	388.91	3.78	-50.44
CC(C)N(CCN(C)C(=O)C1=CC(=O)N(C)[N-]1)C(=O)C1=NSNC1=O	REAL300031189532	0	44	-1.0	-50.25	361.68	2.94	-47.31
CC(C)N(CCN(C)C(=O)CC1=CC(=O)NN1)C(=O)C1=NSNC1=O	REAL300031189662	0	44	-1.0	-60.04	362.16	1.66	-58.38
CC(C)N(CCN(C)C(=O)CC1=CC(=O)N[N-]1)C(=O)C1=NSNC1=O	REAL300031189662	1	44	-1.0	-60.04	362.16	1.66	-58.38
CC(C)N(CCN(C)C(=O)C1=CC=C(O)C(F)=C1)C(=O)C1=NSNC1=O	REAL300031189667	0	44	-1.0	-53.56	361.41	4.23	-49.33
CC(C)N(CCN(C)C(=O)C1=CC=C([O-])C(F)=C1)C(=O)C1=NSNC1=O	REAL300031189667	1	44	-1.0	-53.56	361.41	4.23	-49.33
CC(C)N(CCN(C)C(=O)C1=CC=NC(Cl)=C1[O-])C(=O)C1=NSNC1=O	REAL300031189714	0	43	-1.0	-50.11	364.64	3.87	-46.24
CC1=CN=C(C(=O)N(C)CCN(C(=O)C2=NSNC2=O)C(C)C)C(O)=C1	REAL300031189764	0	46	-1.0	-63.47	377.91	5.48	-57.99
CC1=CN=C(C(=O)N(C)CCN(C(=O)C2=NSNC2=O)C(C)C)C([O-])=C1	REAL300031189764	1	46	-1.0	-63.47	377.91	5.48	-57.99
CC(C)N(CCN(C)C(=O)C1=CC([O-])=CS1)C(=O)C1=NSNC1=O	REAL300031189783	0	41	-1.0	-61.76	345.72	2.95	-58.81
CC(C)N(CCN(C)C(=O)C1=CN([O-])C(=O)C=C1)C(=O)C1=NSNC1=O	REAL300031189799	0	44	-1.0	-59.67	366.27	5.10	-54.57
CC(C)N(CCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(C)[N-]1	REAL300031189928	0	44	-1.0	-52.44	370.35	2.78	-49.66
CC(C)(C)C(CNC(=O)C1=NSNC1=O)NC(=O)C1=NNC(=O)[N-]C1=O	REAL300031191336	0	42	-1.0	-51.80	360.66	-4.33	-56.13
CC(C)(C)C(CNC(=O)C1=NSNC1=O)NC(=O)CN1C(=O)[N-]NC1=O	REAL300031191419	0	44	-1.0	-52.02	374.79	-2.55	-54.57
CC(C)(C)C(CNC(=O)C1=NSNC1=O)NC(=O)C1=CN([O-])C(=O)C=C1	REAL300031191989	0	44	-1.0	-64.54	371.74	1.94	-62.60
CC(C)(C)C(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)NC([O-])=C1	REAL300031192103	0	44	-1.0	-46.69	372.20	-2.97	-49.66
CC(C)(C)C(CNC(=O)C1=NSNC1=O)NC(=O)C1=COC(=O)[N-]1	REAL300031192114	1	40	-1.0	-47.53	344.27	-3.13	-50.66
CC(C)(C)C(CNC(=O)C1=NSNC1=O)[N-]C(=O)C(F)(F)C(F)(F)F	REAL300031192201	0	39	-1.0	-40.44	356.31	0.69	-39.75
CCN1[N-]C(C(=O)NC(CNC(=O)C2=NSNC2=O)C(C)(C)C)=CC1=O	REAL300031192280	0	47	-1.0	-50.50	393.65	0.50	-50.00
CC(C)(C)C(CNC(=O)C1=NSNC1=O)NC(=O)CC1=CC(=O)N[N-]1	REAL300031192287	1	44	-1.0	-56.44	369.78	-1.52	-57.96
CC(C)(C)C(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=CC(=S)N1[O-]	REAL300031192302	0	44	-1.0	-80.18	380.30	3.84	-76.34
CN1N=C(C(=O)NC(CNC(=O)C2=NSNC2=O)C(C)(C)C)[N-]C1=O	REAL300031192325	0	43	-1.0	-53.23	366.35	-1.95	-55.18
CC(C)(C)C(CNC(=O)C1=NSNC1=O)NC(=O)C1=C[N-]N=CC1=O	REAL300031192412	0	42	-1.0	-40.51	353.34	0.02	-40.49
CC(C)(C)C(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)N[N-]1	REAL300031192504	0	41	-1.0	-47.36	349.10	-2.15	-49.51
CC(C)(C)C(CNC(=O)C1=NSNC1=O)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300031192509	0	46	-1.0	-45.09	381.88	-0.71	-45.80
CC(C)(C)C(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=CN([O-])C1=O	REAL300031192538	0	44	-1.0	-58.54	369.71	2.07	-56.47
CC1SC(C(=O)NC(CNC(=O)C2=NSNC2=O)C(C)(C)C)=NC1=O	REAL300031192566	0	43	-1.0	-53.57	375.64	-2.03	-55.60
CC1=C([O-])N=C(C(=O)NC(CNC(=O)C2=NSNC2=O)C(C)(C)C)S1	REAL300031192566	1	43	-1.0	-53.57	375.64	-2.03	-55.60
CC(C)(C)C(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)C=C(Cl)N1	REAL300031192579	0	43	-1.0	-44.23	379.26	1.14	-43.09
CC(C)(C)C(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031192579	1	43	-1.0	-44.23	379.26	1.14	-43.09
CC(C)(C)C(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)N([O-])C=C1	REAL300031192596	0	44	-1.0	-65.05	372.12	1.92	-63.13
CC(C)(C)C(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=CC(=O)N1[O-]	REAL300031192627	0	44	-1.0	-76.46	369.19	2.80	-73.66
CC(C)(C)C(CNC(=O)C1=NSNC1=O)NC(=O)CC1=NC([O-])=CS1	REAL300031192787	0	43	-1.0	-68.62	375.63	-2.24	-70.86
CCC1=NC=C(C(=O)NC(CNC(=O)C2=NSNC2=O)C(C)(C)C)C(=O)N1	REAL300031192805	0	48	-1.0	-46.02	394.65	0.37	-45.65
CCC1=NC=C(C(=O)NC(CNC(=O)C2=NSNC2=O)C(C)(C)C)C(=O)[N-]1	REAL300031192805	1	48	-1.0	-46.02	394.65	0.37	-45.65
CC1=CC(=O)C(C(=O)NC(CNC(=O)C2=NSNC2=O)C(C)(C)C)=N[N-]1	REAL300031193009	0	45	-1.0	-49.73	377.82	1.53	-48.20
CC(C)(C)C(CNC(=O)C1=NSNC1=O)NC(=O)C1=NC(=O)N[N-]1	REAL300031193022	0	40	-1.0	-47.11	343.71	-3.45	-50.56
CC(C)(C)C(CNC(=O)C1=NSNC1=O)NC(=O)C1=CN=C(C=N[O-])S1	REAL300031193129	0	43	-1.0	-60.97	384.48	-0.55	-61.52
COC1=NC(C(=O)NC(CNC(=O)C2=NSNC2=O)C(C)(C)C)=CC(=O)[N-]1	REAL300031193141	0	46	-1.0	-51.82	389.82	-4.14	-55.96
CC(C)(C)C(CNC(=O)C1=NC=CC=C1[O-])NC(=O)C1=NSNC1=O	REAL300031193397	1	43	-1.0	-58.50	361.15	1.20	-57.30
CC(C)(C)C(CNC(=O)C1=NNC(=O)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300031193518	0	42	-1.0	-51.75	360.66	-4.30	-56.05
CC(C)(C)C(CNC(=O)CN1C(=O)[N-]NC1=O)NC(=O)C1=NSNC1=O	REAL300031193673	0	44	-1.0	-52.89	374.80	-2.64	-55.53
CC(C)(C)C(CNC(=O)C1=CC(Cl)=CC=C1[O-])NC(=O)C1=NSNC1=O	REAL300031194937	1	44	-1.0	-54.97	380.65	3.43	-51.54
CC(C)(C)C(CNC(=O)C1=CC([O-])=CC(C#N)=C1)NC(=O)C1=NSNC1=O	REAL300031194961	1	45	-1.0	-46.29	386.94	1.65	-44.64
CCC1=NC=C(C(=O)NCC(NC(=O)C2=NSNC2=O)C(C)(C)C)C(=O)[N-]1	REAL300031195041	1	48	-1.0	-47.60	394.23	0.29	-47.31
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CC(C)(C)C(CNC(=O)CCC1=NC(=O)[N-]N1)NC(=O)C1=NSNC1=O	REAL300031195235	1	46	-1.0	-59.38	385.06	-2.56	-61.94
CC(C)(C)C(CNC(=O)C1=C[N-]N=CC1=O)NC(=O)C1=NSNC1=O	REAL300031195251	0	42	-1.0	-41.86	353.32	-0.08	-41.94
CC(C)(C)C(CNC(=O)C1=CC=CC(F)=C1[O-])NC(=O)C1=NSNC1=O	REAL300031195260	0	44	-1.0	-62.74	370.14	2.97	-59.77
CC(C)(C)C(CNC(=O)C1=CC=CC([O-])=C1F)NC(=O)C1=NSNC1=O	REAL300031195345	1	44	-1.0	-61.58	370.46	1.35	-60.23
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CC(C)(C)C(CNC(=O)C1=C([O-])C=CC=C1Cl)NC(=O)C1=NSNC1=O	REAL300031195555	1	44	-1.0	-50.78	385.32	1.63	-49.15
CC(C)(C)C(CNC(=O)C1=CC=CN([O-])C1=O)NC(=O)C1=NSNC1=O	REAL300031195559	0	44	-1.0	-60.39	369.34	1.99	-58.40
CC(C)(C)C(CNC(=O)C1=CC(F)=CC=C1O)NC(=O)C1=NSNC1=O	REAL300031195715	0	44	-1.0	-54.60	370.33	2.97	-51.63
CC(C)(C)C(CNC(=O)C1=CC(F)=CC=C1[O-])NC(=O)C1=NSNC1=O	REAL300031195715	1	44	-1.0	-54.60	370.33	2.97	-51.63
CC1=CC=NC(C(=O)NCC(NC(=O)C2=NSNC2=O)C(C)(C)C)=C1O	REAL300031195777	0	46	-1.0	-58.22	381.47	1.89	-56.33
CC1=CC=NC(C(=O)NCC(NC(=O)C2=NSNC2=O)C(C)(C)C)=C1[O-]	REAL300031195777	1	46	-1.0	-58.22	381.47	1.89	-56.33
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CC(C)(C)C(CNC(=O)C1=CC=C([O-])C=C1Cl)NC(=O)C1=NSNC1=O	REAL300031196022	1	44	-1.0	-50.29	378.57	1.81	-48.48
CC(C)(C)C(CNC(=O)CC1=NC([O-])=CS1)NC(=O)C1=NSNC1=O	REAL300031196033	0	43	-1.0	-68.03	375.61	-2.32	-70.35
CC(C)(C)C(CNC(=O)C1=C([O-])C=CC=C1F)NC(=O)C1=NSNC1=O	REAL300031196048	1	44	-1.0	-51.71	375.82	1.25	-50.46
CC(C)(C)C(CNC(=O)CN1[N-]C(=O)C=CC1=O)NC(=O)C1=NSNC1=O	REAL300031196049	0	46	-1.0	-53.55	390.88	-1.65	-55.20
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CC(C)(C)C(CNC(=O)C1=CC=CC(Cl)=C1[O-])NC(=O)C1=NSNC1=O	REAL300031196168	0	44	-1.0	-57.79	379.95	3.44	-54.35
CC1=CC(=O)C(C(=O)NCC(NC(=O)C2=NSNC2=O)C(C)(C)C)=N[N-]1	REAL300031196196	0	45	-1.0	-50.38	377.81	1.55	-48.83
CC(C)(C)C(CNC(=O)C1=CC=CC(=O)N1[O-])NC(=O)C1=NSNC1=O	REAL300031196220	0	44	-1.0	-75.74	369.18	2.83	-72.91
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CC(C)(C)C(CNC(=O)C1=C(F)C=CC(O)=C1O)NC(=O)C1=NSNC1=O	REAL300031196332	0	45	-1.0	-52.70	386.56	-0.68	-53.38
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CC(C)(C)C(CNC(=O)C1=CC(C#N)=CC=C1[O-])NC(=O)C1=NSNC1=O	REAL300031196341	0	45	-1.0	-51.95	384.75	3.33	-48.62
CC(C)(C)C(CNC(=O)C1=CN([O-])C(=O)NC1=O)NC(=O)C1=NSNC1=O	REAL300031196421	0	44	-1.0	-49.67	374.58	-0.53	-50.20
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CC(C)(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NSNC1=O	REAL300031196740	0	40	-1.0	-52.09	343.84	-1.76	-53.85
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COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C=C1F	REAL300031202391	1	42	-1.0	-59.31	368.27	0.96	-58.35
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC([O-])=CC(=O)O1	REAL300031202397	0	41	-1.0	-61.46	368.88	0.09	-61.37
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300031202402	1	43	-1.0	-55.53	383.09	1.44	-54.09
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COCCN(CCNC(=O)C1=NSNC1=O)C(=O)CCC1=NC(=O)[N-]N1	REAL300031202475	1	44	-1.0	-64.45	388.87	-3.12	-67.57
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=C[N-]N=CC1=O	REAL300031202489	0	40	-1.0	-61.33	355.99	-0.42	-61.75
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COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CC([O-])=C1F	REAL300031202578	1	42	-1.0	-70.50	368.11	0.96	-69.54
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N[N-]1	REAL300031202668	0	39	-1.0	-60.54	349.27	-2.40	-62.94
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C(=O)[PH](C)(C)[O-]	REAL300031202674	0	44	-1.0	-60.58	383.57	-1.25	-61.83
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COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=NC(=O)N[N-]1	REAL300031202776	0	38	-1.0	-58.99	344.19	-2.69	-61.68
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CN([O-])C1=O	REAL300031202781	0	42	-1.0	-85.71	379.61	1.14	-84.57
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(F)=CC=C1O	REAL300031202926	0	42	-1.0	-70.35	378.95	0.64	-69.71
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(F)=CC=C1[O-]	REAL300031202926	1	42	-1.0	-70.35	378.95	0.64	-69.71
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=NC=CC(C)=C1[O-]	REAL300031202985	1	44	-1.0	-72.17	377.13	2.67	-69.50
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CN=CC([O-])=C1	REAL300031203075	1	41	-1.0	-62.81	358.04	-0.93	-63.74
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COCCN(CCNC(=O)C1=NSNC1=O)C(=O)CC1=NC([O-])=CS1	REAL300031203222	0	41	-1.0	-76.25	372.67	-2.76	-79.01
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=C([O-])C=CC=C1F	REAL300031203237	0	42	-1.0	-62.88	373.45	0.90	-61.98
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300031203238	0	44	-1.0	-63.92	394.72	-2.25	-66.17
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C(F)C=C1[O-]	REAL300031203239	0	42	-1.0	-67.39	368.01	2.09	-65.30
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=C(C)C=CC(F)=C1[O-]	REAL300031203269	0	45	-1.0	-64.07	397.19	1.29	-62.78
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=N[N-]C(C)=CC1=O	REAL300031203375	0	43	-1.0	-59.06	379.18	1.36	-57.70
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CC(=O)N1[O-]	REAL300031203396	0	42	-1.0	-85.27	368.57	1.47	-83.80
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300031203419	0	42	-1.0	-65.92	381.79	-0.48	-66.40
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=NN(C)C(=O)[N-]1	REAL300031203457	0	41	-1.0	-67.21	366.90	-2.26	-69.47
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300031203508	0	43	-1.0	-66.11	393.36	1.00	-65.11
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C(F)C(O)=C1	REAL300031203634	0	42	-1.0	-59.63	369.19	1.02	-58.61
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C(F)C([O-])=C1	REAL300031203634	1	42	-1.0	-59.63	369.19	1.02	-58.61
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300031203707	0	40	-1.0	-55.57	363.56	-4.39	-59.96
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300031203707	1	40	-1.0	-56.17	358.50	-2.75	-58.92
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(N)[N-]C1=O	REAL300031203758	1	42	-1.0	-61.11	377.85	-2.33	-63.44
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COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=NC=C1[O-]	REAL300031203871	0	41	-1.0	-64.26	366.12	-1.12	-65.38
COCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300031203876	0	38	-1.0	-66.01	340.26	-1.64	-67.65
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COCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NSNC1=O	REAL300031204753	0	38	-1.0	-55.02	342.86	-1.30	-56.32
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C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(N)=CC(=O)[N-]2)CC1	REAL300031213007	0	45	-1.0	-62.14	373.64	-0.81	-62.95
C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300031213031	1	45	-1.0	-61.75	375.24	3.40	-58.35
CC1=CC=NC(C(=O)N2CCC([C@H](C)NC(=O)C3=NSNC3=O)CC2)=C1[O-]	REAL300031213072	1	47	-1.0	-64.37	381.48	3.91	-60.46
C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300031213127	1	44	-1.0	-59.19	363.21	0.63	-58.56
C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=NC([O-])=CS2)CC1	REAL300031213206	0	44	-1.0	-74.65	378.60	-0.73	-75.38
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C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(F)C=C2[O-])CC1	REAL300031213218	0	45	-1.0	-65.11	374.74	3.51	-61.60
CC1=CC(=O)C(C(=O)N2CCC([C@H](C)NC(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300031213302	0	46	-1.0	-55.44	377.92	3.28	-52.16
C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1	REAL300031213317	0	45	-1.0	-85.16	384.07	3.31	-81.85
C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1	REAL300031213359	0	44	-1.0	-59.13	366.15	-0.25	-59.38
C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1	REAL300031213474	1	45	-1.0	-57.12	373.99	2.55	-54.57
C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1	REAL300031213521	0	43	-1.0	-49.44	363.15	-2.12	-51.56
C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1	REAL300031213521	1	43	-1.0	-49.44	363.15	-2.12	-51.56
C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=C(N)NC2=O)CC1	REAL300031213556	0	45	-1.0	-53.36	372.92	-0.35	-53.71
C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=C(N)[N-]C2=O)CC1	REAL300031213556	1	45	-1.0	-53.36	372.92	-0.35	-53.71
C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300031213637	0	41	-1.0	-58.16	343.94	-0.34	-58.50
C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)C(C)S2)CC1	REAL300031213652	0	44	-1.0	-58.21	375.79	0.40	-57.81
CC1=C([O-])N=C(C(=O)N2CCC([C@H](C)NC(=O)C3=NSNC3=O)CC2)S1	REAL300031213652	1	44	-1.0	-58.21	375.79	0.40	-57.81
C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1	REAL300031213744	0	45	-1.0	-50.96	379.38	-1.67	-52.63
CCN1[N-]C(C(=O)N2CCC([C@H](C)NC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031213782	0	48	-1.0	-55.45	393.33	2.21	-53.24
C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1	REAL300031213798	0	45	-1.0	-54.67	371.59	1.28	-53.39
C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=CC(=O)NN2)CC1	REAL300031213876	0	45	-1.0	-63.21	372.75	-0.01	-63.22
C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=CC(=O)N[N-]2)CC1	REAL300031213876	1	45	-1.0	-63.21	372.75	-0.01	-63.22
C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(O)C(F)=C2)CC1	REAL300031213880	0	45	-1.0	-58.03	373.93	2.57	-55.46
C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300031213880	1	45	-1.0	-58.03	373.93	2.57	-55.46
CC1=CN=C(C(=O)N2CCC([C@H](C)NC(=O)C3=NSNC3=O)CC2)C(O)=C1	REAL300031213936	0	47	-1.0	-67.27	382.63	3.88	-63.39
CC1=CN=C(C(=O)N2CCC([C@H](C)NC(=O)C3=NSNC3=O)CC2)C([O-])=C1	REAL300031213936	1	47	-1.0	-67.27	382.63	3.88	-63.39
C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC([O-])=CS2)CC1	REAL300031213948	0	42	-1.0	-63.33	359.28	1.47	-61.86
C[C@H](NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1	REAL300031213959	0	45	-1.0	-64.47	379.06	3.21	-61.26
C[C@H](NC(=O)C1=CC(=O)N(C)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031214050	0	45	-1.0	-53.99	372.51	1.17	-52.82
C[C@H](NC(=O)C1=NC(=O)[N-]C(=O)N1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031214135	0	43	-1.0	-47.02	362.79	-2.77	-49.79
C[C@H](NC(=O)C1=NC(=O)NC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031214135	1	43	-1.0	-47.02	362.79	-2.77	-49.79
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031214236	0	41	-1.0	-60.19	349.70	0.20	-59.99
CN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031215160	1	44	-1.0	-61.03	385.22	0.79	-60.24
CN(C(=O)CCCN1C(=O)[N-]NC1=O)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031215799	0	45	-1.0	-61.32	390.70	-1.15	-62.47
CN(C(=O)CCC1=NNC(=O)[N-]C1=O)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031216015	0	43	-1.0	-56.85	375.49	-4.01	-60.86
CC(=O)[N-]C1=NC(C(=O)N(C)C2CC(NC(=O)C3=NSNC3=O)C2)=CS1	REAL300031216016	1	41	-1.0	-51.44	366.75	0.11	-51.33
CN(C(=O)CCN1C=C[N-]C(=O)C1=O)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031216174	1	44	-1.0	-62.59	381.25	0.13	-62.46
COC1=C(C(=O)N(C)C2CC(NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031216283	1	42	-1.0	-58.28	371.02	-4.32	-62.60
CN(C(=O)C1=NNC(=O)[N-]C1=O)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031216397	0	37	-1.0	-60.08	331.04	-3.75	-63.83
CN(C(=O)CN1C(=O)[N-]NC1=O)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031216514	0	39	-1.0	-61.85	348.22	-2.40	-64.25
CN(C(=O)C1=CC=C2N=NN([O-])C2=C1)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031217995	0	41	-1.0	-68.44	360.02	0.27	-68.17
CC1=C(CC(=O)N(C)C2CC(NC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300031218007	0	45	-1.0	-66.20	386.03	1.09	-65.11
CN(C(=O)C1=CC(=O)N[N-]1)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031218093	0	36	-1.0	-54.23	316.58	-1.78	-56.01
CN(C(=O)C(=O)[PH](C)(C)[O-])C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031218098	0	41	-1.0	-50.89	345.31	0.16	-50.73
CN(C(=O)CC1=CC(=O)N(C)[N-]1)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031218101	0	42	-1.0	-66.75	366.05	0.40	-66.35
CN(C(=O)C1=CC=CN([O-])C1=O)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031218147	0	39	-1.0	-75.38	349.49	1.93	-73.45
CSC1=NC=C(C(=O)N(C)C2CC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031218167	1	41	-1.0	-60.40	375.67	-0.33	-60.73
CC1=C([O-])N=C(C(=O)N(C)C2CC(NC(=O)C3=NSNC3=O)C2)S1	REAL300031218192	1	38	-1.0	-56.24	346.14	-0.82	-57.06
CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031218213	1	38	-1.0	-50.02	349.46	1.94	-48.08
CN(C(=O)C1=CC(=O)N([O-])C=C1)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031218235	0	39	-1.0	-67.42	350.26	1.97	-65.45
CN(C(=O)C1=CC=CC(=O)N1[O-])C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031218295	0	39	-1.0	-68.82	345.68	1.83	-66.99
CN(C(=O)C[N-]C(=O)C(F)(F)F)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031218465	0	38	-1.0	-53.50	352.63	-2.11	-55.61
CN(C(=O)CC1=C([O-])N=C(N)S1)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031218466	0	40	-1.0	-71.95	363.90	-2.92	-74.87
CN(C(=O)CC1=NC([O-])=CS1)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031218526	0	38	-1.0	-74.95	349.07	-2.04	-76.99
CCC1=NC=C(C(=O)N(C)C2CC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031218551	1	43	-1.0	-59.52	374.38	0.14	-59.38
CN(C(=O)CN1N=CC(=O)[N-]C1=O)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031218563	0	40	-1.0	-65.20	358.59	-3.52	-68.72
CN(C(=O)C1=C(Cl)C(=O)[N-]S1)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031218640	0	35	-1.0	-56.27	332.28	-1.22	-57.49
COCC1=NC=C(C(=O)N(C)C2CC(NC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300031218747	0	44	-1.0	-59.85	387.31	-1.61	-61.46
COCC1=NC=C(C(=O)N(C)C2CC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031218747	1	44	-1.0	-59.85	387.31	-1.61	-61.46
CC1=CC(=O)C(C(=O)N(C)C2CC(NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031218848	0	40	-1.0	-56.93	348.21	2.10	-54.83
CN(C(=O)C1=NNC(=O)[N-]1)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031218867	0	35	-1.0	-57.51	311.27	-3.27	-60.78
CN(C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031218892	0	40	-1.0	-55.34	361.39	0.74	-54.60
CN(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031218892	1	40	-1.0	-55.34	361.39	0.74	-54.60
CN(C(=O)C1=CN=C(C=N[O-])S1)C1CC(NC(=O)C2=NSNC2=O)C1	REAL300031219030	0	38	-1.0	-70.09	352.81	-0.82	-70.91
COC1=NC(C(=O)N(C)C2CC(NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300031219050	0	41	-1.0	-57.79	355.04	-3.14	-60.93
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)C2=NC=CC=C2[O-])C1	REAL300031219309	1	38	-1.0	-66.00	331.44	1.87	-64.13
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)CCN2C=C[N-]C(=O)C2=O)C1	REAL300031219429	1	44	-1.0	-64.22	381.07	0.63	-63.59
CC(=O)[N-]C1=NC(C(=O)NC2CC(N(C)C(=O)C3=NSNC3=O)C2)=CS1	REAL300031219441	1	41	-1.0	-47.13	366.82	-0.17	-47.30
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300031219473	0	37	-1.0	-58.62	331.09	-3.69	-62.31
COC1=C(C(=O)NC2CC(N(C)C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031219527	1	42	-1.0	-57.53	364.67	-2.40	-59.93
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)CN2C(=O)[N-]NC2=O)C1	REAL300031219696	0	39	-1.0	-59.12	345.10	-1.99	-61.11
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)CCCN2C(=O)[N-]NC2=O)C1	REAL300031220686	0	45	-1.0	-56.33	384.91	-0.96	-57.29
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300031220893	1	44	-1.0	-49.21	373.01	1.54	-47.67
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)CCC2=NNC(=O)[N-]C2=O)C1	REAL300031221746	0	43	-1.0	-58.42	375.32	-3.52	-61.94
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1	REAL300031221756	0	41	-1.0	-60.08	362.36	3.76	-56.32
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300031221770	1	39	-1.0	-58.20	348.25	3.90	-54.30
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300031221801	1	40	-1.0	-54.95	357.26	2.31	-52.64
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)C2=CC=C(N)C(Cl)=C2[O-])C1	REAL300031221828	0	41	-1.0	-72.60	360.48	1.97	-70.63
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1	REAL300031221890	0	41	-1.0	-75.15	360.39	4.76	-70.39
CCC1=NC=C(C(=O)NC2CC(N(C)C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031221921	1	43	-1.0	-47.98	362.17	0.89	-47.09
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)C2=COC(=O)[N-]2)C1	REAL300031221945	1	35	-1.0	-50.70	314.75	-2.63	-53.33
CC1=CC=NC(C(=O)NC2CC(N(C)C(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300031223024	1	41	-1.0	-65.28	351.91	2.50	-62.78
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)C2=CN=CC([O-])=C2)C1	REAL300031223195	1	38	-1.0	-60.94	331.58	0.10	-60.84
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)C2=CC=CC(=S)N2[O-])C1	REAL300031223208	0	39	-1.0	-84.90	348.38	4.32	-80.58
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)C2=CC(N)=C(Cl)C([O-])=C2)C1	REAL300031223364	1	41	-1.0	-52.95	362.39	0.26	-52.69
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300031223369	0	38	-1.0	-48.11	347.07	0.54	-47.57
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300031223431	1	39	-1.0	-58.95	346.61	2.39	-56.56
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)C2=CC(C#N)=C(N)C=C2[O-])C1	REAL300031223434	0	42	-1.0	-64.69	365.67	1.75	-62.94
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)CC2=NC([O-])=CS2)C1	REAL300031223446	0	38	-1.0	-69.83	340.10	-0.62	-70.45
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)C2=C([O-])C=CC=C2F)C1	REAL300031223468	1	39	-1.0	-60.08	343.86	1.82	-58.26
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300031223471	0	41	-1.0	-59.77	361.21	-1.00	-60.77
CN(C(=O)C1=NSNC1=O)C1CC(NC(=O)C2=CC=C(F)C=C2[O-])C1	REAL300031223473	0	39	-1.0	-70.32	338.36	3.53	-66.79
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CN(CCOCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)NC([O-])=C1	REAL300031230482	0	42	-1.0	-54.50	382.18	-3.67	-58.17
CN(CCOCCNC(=O)C1=NSNC1=O)C(=O)C1=COC(=O)[N-]1	REAL300031230493	1	38	-1.0	-55.89	348.00	-2.43	-58.32
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CN(CCOCCNC(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300031230661	1	42	-1.0	-72.88	375.27	-1.64	-74.52
CN(CCOCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CC(=S)N1[O-]	REAL300031230674	0	42	-1.0	-77.40	394.21	1.52	-75.88
CN(CCOCCNC(=O)C1=NSNC1=O)C(=O)C1=NN(C)C(=O)[N-]1	REAL300031230697	0	41	-1.0	-69.58	369.26	-1.55	-71.13
CN(CCOCCNC(=O)C1=NSNC1=O)C(=O)C1=C[N-]N=CC1=O	REAL300031230777	0	40	-1.0	-53.01	366.78	-0.99	-54.00
CN(CCOCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N[N-]1	REAL300031230862	0	39	-1.0	-61.88	351.80	-1.73	-63.61
CN(CCOCCNC(=O)C1=NSNC1=O)C(=O)C(=O)[PH](C)(C)[O-]	REAL300031230867	0	44	-1.0	-58.71	386.49	-0.13	-58.84
CN(CCOCCNC(=O)C1=NSNC1=O)C(=O)CCC1=NNC(=O)[N-]1	REAL300031230892	0	44	-1.0	-58.35	391.82	-2.55	-60.90
CN(CCOCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CN([O-])C1=O	REAL300031230895	0	42	-1.0	-73.59	380.55	1.79	-71.80
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CN(CCOCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N([O-])C=C1	REAL300031230949	0	42	-1.0	-80.92	373.50	1.78	-79.14
CN(CCOCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CC(=O)N1[O-]	REAL300031230979	0	42	-1.0	-74.55	383.10	0.90	-73.65
CN(CCOCCNC(=O)C1=NSNC1=O)C(=O)C[N-]C(=O)C(F)(F)F	REAL300031231090	0	41	-1.0	-61.02	384.73	-2.43	-63.45
CN(CCOCCNC(=O)C1=NSNC1=O)C(=O)CC1=NC([O-])=CS1	REAL300031231133	0	41	-1.0	-71.75	382.32	-2.84	-74.59
CCC1=NC=C(C(=O)N(C)CCOCCNC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031231151	1	46	-1.0	-61.42	405.29	0.01	-61.41
CN(CCOCCNC(=O)C1=NSNC1=O)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300031231159	0	43	-1.0	-76.46	390.62	-3.83	-80.29
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CN(CCOCCNC(=O)C1=NSNC1=O)C(=O)C1=NC(=O)N[N-]1	REAL300031231359	0	38	-1.0	-59.90	346.60	-2.40	-62.30
COC1=NC(C(=O)N(C)CCOCCNC(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300031231471	0	44	-1.0	-59.66	391.32	-3.83	-63.49
CN(CCOCCNC(=O)C1=NC=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300031231726	1	41	-1.0	-80.13	363.91	1.57	-78.56
CN(CCOCCNC(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031231843	0	40	-1.0	-55.86	364.01	-4.43	-60.29
CN(CCOCCNC(=O)CN1C(=O)[N-]NC1=O)C(=O)C1=NSNC1=O	REAL300031231984	0	42	-1.0	-57.00	378.12	-2.78	-59.78
CN(CCOCCNC(=O)C1=CC([O-])=CC(C#N)=C1)C(=O)C1=NSNC1=O	REAL300031233188	1	43	-1.0	-48.69	390.28	1.52	-47.17
CCC1=NC=C(C(=O)NCCOCCN(C)C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031233262	1	46	-1.0	-48.67	397.57	0.15	-48.52
CN(CCOCCNC(=O)C1=COC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031233280	1	38	-1.0	-50.72	347.62	-3.37	-54.09
CN(CCOCCNC(=O)C[N-]C(=O)C(F)(F)F)C(=O)C1=NSNC1=O	REAL300031233343	0	41	-1.0	-50.28	382.58	-2.49	-52.77
CN(CCOCCNC(=O)C1=CC=C([O-])C=C1F)C(=O)C1=NSNC1=O	REAL300031233364	1	42	-1.0	-55.86	373.95	1.25	-54.61
CN(CCOCCNC(=O)C1=CC([O-])=CC(=O)O1)C(=O)C1=NSNC1=O	REAL300031233370	0	41	-1.0	-52.20	372.77	0.39	-51.81
CN(CCOCCNC(=O)C1=CC=C(C#N)C([O-])=C1)C(=O)C1=NSNC1=O	REAL300031233375	1	43	-1.0	-51.42	389.59	1.59	-49.83
CN(CCOCCNC(=O)CN1N=CC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031233392	0	43	-1.0	-60.91	388.47	-3.90	-64.81
CN(CCOCCNC(=O)CCC1=NC(=O)[N-]N1)C(=O)C1=NSNC1=O	REAL300031233448	1	44	-1.0	-62.26	388.38	-2.71	-64.97
CN(CCOCCNC(=O)C1=C[N-]N=CC1=O)C(=O)C1=NSNC1=O	REAL300031233462	0	40	-1.0	-43.44	356.67	-0.22	-43.66
CN(CCOCCNC(=O)C1=CC=CC(F)=C1[O-])C(=O)C1=NSNC1=O	REAL300031233470	0	42	-1.0	-68.66	373.50	2.85	-65.81
CN(CCOCCNC(=O)C1=CC=CC([O-])=C1F)C(=O)C1=NSNC1=O	REAL300031233551	1	42	-1.0	-67.04	373.82	1.22	-65.82
CN(CCOCCNC(=O)C1=CC(=O)N[N-]1)C(=O)C1=NSNC1=O	REAL300031233641	0	39	-1.0	-50.85	352.45	-2.38	-53.23
CN(CCOCCNC(=O)C(=O)[PH](C)(C)[O-])C(=O)C1=NSNC1=O	REAL300031233647	0	44	-1.0	-64.22	386.03	-0.40	-64.62
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CC1=C(CC(=O)N2CC=C(CNC(=O)C3=NSNC3=O)CC2)C(=O)N(C)[N-]1	REAL300031243456	0	46	-1.0	-64.59	397.72	1.73	-62.86
CC1=CN=C(C(=O)N2CC=C(CNC(=O)C3=NSNC3=O)CC2)C([O-])=C1	REAL300031243492	1	42	-1.0	-66.84	364.79	3.28	-63.56
O=C(NCC1=CCN(C(=O)C2=CC([O-])=CS2)CC1)C1=NSNC1=O	REAL300031243515	0	37	-1.0	-65.97	338.93	0.66	-65.31
O=C(NCC1=CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1)C1=NSNC1=O	REAL300031243531	0	40	-1.0	-64.73	361.55	2.56	-62.17
CN1[N-]C(C(=O)NCC2=CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031243696	0	40	-1.0	-55.00	354.18	0.66	-54.34
O=C(CSC1=NNC(=O)[N-]1)NCC1=CCN(C(=O)C2=NSNC2=O)CC1	REAL300031243703	0	40	-1.0	-58.26	368.38	-1.21	-59.47
O=C(NCC1=CCN(C(=O)C2=NSNC2=O)CC1)C1=NC(=O)[N-]C(=O)N1	REAL300031243865	0	38	-1.0	-55.16	344.52	-4.11	-59.27
O=C(NCC1=CCN(C(=O)C2=NSNC2=O)CC1)C1=NC(=O)NC(=O)[N-]1	REAL300031243865	1	38	-1.0	-48.92	345.17	-3.34	-52.26
O=C(CN1[N-]C(=O)C=CC1=O)NCC1=CCN(C(=O)C2=NSNC2=O)CC1	REAL300031244016	0	42	-1.0	-59.88	373.15	-0.47	-60.35
O=C(NCC1=CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)[N-]O1	REAL300031244024	0	36	-1.0	-56.82	326.14	-0.56	-57.38
O=C(NCC1=CCN(C(=O)C2=NSNC2=O)CC1)C1=CN([O-])C(=O)NC1=O	REAL300031244037	0	40	-1.0	-53.39	356.92	0.67	-52.72
O=C(NCC1=CC=C(CNC(=O)C2=NSNC2=O)C=C1F)C1=COC(=O)[N-]1	REAL300031244423	1	38	-1.0	-53.62	365.40	-2.31	-55.93
O=C(NCC1=CC=C(CNC(=O)C2=NSNC2=O)C=C1F)C1=CC(=O)N[N-]1	REAL300031244505	0	39	-1.0	-53.11	370.23	-1.32	-54.43
O=C(NCC1=CC=C(CNC(=O)C2=NSNC2=O)C=C1F)C1=NC(=O)N[N-]1	REAL300031244576	0	38	-1.0	-50.65	364.83	-2.61	-53.26
O=C(NCC1=CC=C(CNC(=O)C2=NSNC2=O)C(F)=C1)C1=COC(=O)[N-]1	REAL300031244929	1	38	-1.0	-49.65	365.41	-2.31	-51.96
O=C(NCC1=CC=C(CNC(=O)C2=NSNC2=O)C(F)=C1)C1=CC(=O)N[N-]1	REAL300031244983	0	39	-1.0	-52.02	370.23	-1.31	-53.33
O=C(NCC1=CC=C(CNC(=O)C2=NSNC2=O)C(F)=C1)C1=NC(=O)N[N-]1	REAL300031244996	0	38	-1.0	-49.51	364.83	-2.61	-52.12
O=C(NCC1=CC=C(CNC(=O)C2=NSNC2=O)C(F)=C1)C1=CC(=O)[N-]O1	REAL300031245145	0	38	-1.0	-55.05	364.98	-0.83	-55.88
O=C(NCC1=CC=C(CNC(=O)C2=NSNC2=O)C=C1F)C1=CC(=O)[N-]O1	REAL300031245307	0	38	-1.0	-57.28	364.97	-0.83	-58.11
CC1CN(C(=O)C2=COC(=O)[N-]2)CC2(CCN(C(=O)C3=NSNC3=O)C2)O1	REAL300031245627	1	43	-1.0	-55.47	361.62	-0.20	-55.67
CC1CN(C(=O)C2=CC(=O)N[N-]2)CC2(CCN(C(=O)C3=NSNC3=O)C2)O1	REAL300031245706	0	44	-1.0	-60.80	365.98	-0.20	-61.00
CC1CN(C(=O)C2=NC(=O)N[N-]2)CC2(CCN(C(=O)C3=NSNC3=O)C2)O1	REAL300031245775	0	43	-1.0	-55.97	361.60	-0.94	-56.91
CC1CN(C(=O)C2=NSNC2=O)CC2(CCN(C(=O)C3=COC(=O)[N-]3)C2)O1	REAL300031246117	1	43	-1.0	-55.98	362.44	-0.63	-56.61
CC1CN(C(=O)C2=NSNC2=O)CC2(CCN(C(=O)C3=CC(=O)N[N-]3)C2)O1	REAL300031246170	0	44	-1.0	-50.02	365.60	-0.33	-50.35
CC1CN(C(=O)C2=NSNC2=O)CC2(CCN(C(=O)C3=NC(=O)N[N-]3)C2)O1	REAL300031246180	0	43	-1.0	-49.87	360.35	-1.06	-50.93
CC1CN(C(=O)C2=NSNC2=O)CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300031246326	0	43	-1.0	-54.73	360.97	-0.15	-54.88
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCN(C(=O)C3=NSNC3=O)C2)O1	REAL300031246482	0	43	-1.0	-64.81	360.93	-0.13	-64.94
CC1CCC(NC(=O)C2=NNC(=O)[N-]C2=O)CN1C(=O)C1=NSNC1=O	REAL300031247752	0	40	-1.0	-51.47	343.43	-3.25	-54.72
CC1CCC(NC(=O)CN2C(=O)[N-]NC2=O)CN1C(=O)C1=NSNC1=O	REAL300031247836	0	42	-1.0	-51.59	357.48	-1.58	-53.17
CC1CCC(NC(=O)C2=CN([O-])C(=O)C=C2)CN1C(=O)C1=NSNC1=O	REAL300031248427	0	42	-1.0	-66.16	354.39	2.90	-63.26
CC1CCC(NC(=O)C2=CC(=O)NC([O-])=C2)CN1C(=O)C1=NSNC1=O	REAL300031248541	0	42	-1.0	-46.41	354.91	-2.00	-48.41
CC1CCC(NC(=O)C2=COC(=O)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300031248552	1	38	-1.0	-45.93	327.04	-2.16	-48.09
CC1CCC([N-]C(=O)C(F)(F)C(F)(F)F)CN1C(=O)C1=NSNC1=O	REAL300031248642	0	37	-1.0	-36.50	329.86	1.15	-35.35
CCN1[N-]C(C(=O)NC2CCC(C)N(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031248722	0	45	-1.0	-53.43	372.78	1.68	-51.75
CC1CCC(NC(=O)CC2=CC(=O)N[N-]2)CN1C(=O)C1=NSNC1=O	REAL300031248730	1	42	-1.0	-57.06	352.47	-0.55	-57.61
CC1CCC(NC(=O)C2=CC=CC(=S)N2[O-])CN1C(=O)C1=NSNC1=O	REAL300031248748	0	42	-1.0	-78.66	362.64	4.89	-73.77
CC1CCC(NC(=O)CC2SC(=O)[N-]C2=O)CN1C(=O)C1=NSNC1=O	REAL300031248757	0	42	-1.0	-46.73	362.02	-1.82	-48.55
CC1CCC(NC(=O)C2=NN(C)C(=O)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300031248773	0	41	-1.0	-52.30	349.19	-0.97	-53.27
CC1CCC(NC(=O)C2=C[N-]N=CC2=O)CN1C(=O)C1=NSNC1=O	REAL300031248862	0	40	-1.0	-46.04	332.51	1.20	-44.84
CC1CCC(NC(=O)C2=CC(=O)N[N-]2)CN1C(=O)C1=NSNC1=O	REAL300031248961	0	39	-1.0	-50.66	328.23	-0.97	-51.63
CC1CCC(NC(=O)C(=O)[PH](C)(C)[O-])CN1C(=O)C1=NSNC1=O	REAL300031248966	0	44	-1.0	-44.10	356.19	0.32	-43.78
CC1CCC(NC(=O)CC2=CC(=O)N(C)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300031248969	0	45	-1.0	-56.56	374.95	1.14	-55.42
CC1CCC(NC(=O)C2=CC=CN([O-])C2=O)CN1C(=O)C1=NSNC1=O	REAL300031248997	0	42	-1.0	-68.85	348.58	3.25	-65.60
CC1=C([O-])N=C(C(=O)NC2CCC(C)N(C(=O)C3=NSNC3=O)C2)S1	REAL300031249025	1	41	-1.0	-51.90	358.41	-1.05	-52.95
CC1CCC(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300031249039	1	41	-1.0	-43.03	362.02	2.13	-40.90
CC1CCC(NC(=O)C2=CC(=O)N([O-])C=C2)CN1C(=O)C1=NSNC1=O	REAL300031249056	0	42	-1.0	-66.77	354.76	2.88	-63.89
CC1CCC(NC(=O)C2=CC=CC(=O)N2[O-])CN1C(=O)C1=NSNC1=O	REAL300031249089	0	42	-1.0	-73.97	351.53	3.86	-70.11
CC1CCC(NC(=O)C[N-]C(=O)C(F)(F)F)CN1C(=O)C1=NSNC1=O	REAL300031249211	0	41	-1.0	-45.75	361.88	-1.30	-47.05
CC1CCC(NC(=O)CC2=C([O-])N=C(N)S2)CN1C(=O)C1=NSNC1=O	REAL300031249212	0	43	-1.0	-64.25	372.78	-2.17	-66.42
CC1CCC(NC(=O)CC2=NC([O-])=CS2)CN1C(=O)C1=NSNC1=O	REAL300031249257	0	41	-1.0	-70.18	358.32	-1.26	-71.44
CCC1=NC=C(C(=O)NC2CCC(C)N(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031249275	1	46	-1.0	-52.85	373.43	1.54	-51.31
CC1CCC(NC(=O)CN2N=CC(=O)[N-]C2=O)CN1C(=O)C1=NSNC1=O	REAL300031249284	0	43	-1.0	-57.22	367.46	-2.73	-59.95
CC1=CC(=O)C(C(=O)NC2CCC(C)N(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031249486	0	43	-1.0	-47.95	360.59	2.61	-45.34
CC1CCC(NC(=O)C2=NNC(=O)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300031249501	0	38	-1.0	-53.29	322.72	-2.44	-55.73
CC1CCC(NC(=O)C2=CN=C(C=N[O-])S2)CN1C(=O)C1=NSNC1=O	REAL300031249612	0	41	-1.0	-63.70	363.67	0.63	-63.07
COC1=NC(C(=O)NC2CCC(C)N(C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300031249625	0	44	-1.0	-51.53	372.59	-3.15	-54.68
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=NC=CC=C1[O-]	REAL300031249881	1	41	-1.0	-62.26	340.23	2.66	-59.60
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300031249994	0	40	-1.0	-71.05	347.53	-4.66	-75.71
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)CN1C(=O)[N-]NC1=O	REAL300031250132	0	42	-1.0	-56.77	356.83	-1.50	-58.27
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300031251234	1	42	-1.0	-60.84	360.58	3.83	-57.01
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300031251257	1	43	-1.0	-57.19	368.02	2.47	-54.72
CCC1=NC=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CCC2C)C(=O)[N-]1	REAL300031251324	1	46	-1.0	-59.57	375.01	0.96	-58.61
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=COC(=O)[N-]1	REAL300031251339	1	38	-1.0	-61.22	323.16	-0.72	-61.94
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300031251405	0	41	-1.0	-56.69	361.29	-1.21	-57.90
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)CC1=C([O-])N=C(N)S1	REAL300031251406	0	43	-1.0	-71.30	372.47	-1.99	-73.29
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C([O-])C=C1F	REAL300031251425	1	42	-1.0	-62.18	350.55	2.15	-60.03
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300031251431	0	41	-1.0	-61.99	349.74	1.60	-60.39
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300031251437	1	43	-1.0	-61.34	365.81	2.50	-58.84
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300031251440	0	41	-1.0	-61.35	353.45	1.47	-59.88
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300031251452	0	43	-1.0	-60.68	367.17	-2.62	-63.30
CC1=CC=C([O-])C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CCC2C)=N1	REAL300031251506	1	44	-1.0	-76.28	368.62	2.21	-74.07
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=C[N-]N=CC1=O	REAL300031251523	0	40	-1.0	-57.41	337.20	0.38	-57.03
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300031251530	0	42	-1.0	-64.94	343.06	3.20	-61.74
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=CC([O-])=C1F	REAL300031251605	1	42	-1.0	-63.94	343.37	1.99	-61.95
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)N[N-]1	REAL300031251687	0	39	-1.0	-57.03	328.01	-0.80	-57.83
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300031251692	0	44	-1.0	-53.04	362.71	0.55	-52.49
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300031251766	0	42	-1.0	-74.08	352.87	2.64	-71.44
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=NNC(=O)[N-]1	REAL300031251790	0	38	-1.0	-60.45	322.71	-2.28	-62.73
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=CN([O-])C1=O	REAL300031251795	0	42	-1.0	-75.09	354.11	2.37	-72.72
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(F)=CC=C1O	REAL300031251930	0	42	-1.0	-60.89	350.26	3.40	-57.49
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300031251930	1	42	-1.0	-60.89	350.26	3.40	-57.49
CC1=CC=NC(C(=O)N2CC(NC(=O)C3=NSNC3=O)CCC2C)=C1[O-]	REAL300031251988	1	44	-1.0	-74.50	367.35	2.34	-72.16
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CN=CC([O-])=C1	REAL300031252080	1	41	-1.0	-62.91	340.60	0.17	-62.74
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300031252090	0	42	-1.0	-97.73	366.39	3.92	-93.81
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300031252187	0	41	-1.0	-56.44	358.80	1.69	-54.75
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300031252224	1	42	-1.0	-61.12	358.75	2.58	-58.54
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)CC1=NC([O-])=CS1	REAL300031252231	0	41	-1.0	-66.38	357.70	-1.15	-67.53
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300031252245	0	44	-1.0	-57.73	372.97	-0.54	-58.27
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300031252246	0	42	-1.0	-63.04	350.28	3.41	-59.63
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)CC1SC(=O)[N-]C1=O	REAL300031252321	0	42	-1.0	-60.66	368.52	-2.10	-62.76
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300031252341	0	42	-1.0	-63.51	358.00	2.22	-61.29
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300031252347	0	42	-1.0	-60.61	352.87	3.66	-56.95
CC1=CC(=O)C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CCC2C)=N[N-]1	REAL300031252370	0	43	-1.0	-69.21	364.67	1.21	-68.00
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300031252389	0	42	-1.0	-94.88	355.29	3.03	-91.85
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300031252410	0	42	-1.0	-57.17	363.38	0.20	-56.97
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300031252451	0	41	-1.0	-62.64	345.47	-0.62	-63.26
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300031252497	0	43	-1.0	-56.73	366.42	3.62	-53.11
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300031252571	0	42	-1.0	-64.71	358.75	-0.13	-64.84
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C(F)C(O)=C1	REAL300031252614	0	42	-1.0	-66.26	351.86	2.12	-64.14
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300031252614	1	42	-1.0	-66.26	351.86	2.12	-64.14
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C(Cl)C=C1O	REAL300031252629	0	42	-1.0	-62.43	360.60	3.85	-58.58
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300031252629	1	42	-1.0	-62.43	360.60	3.85	-58.58
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300031252685	0	40	-1.0	-64.89	341.66	-3.27	-68.16
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300031252685	1	40	-1.0	-59.93	345.52	-2.67	-62.60
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300031252728	1	42	-1.0	-59.88	348.39	-0.68	-60.56
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C(F)C([O-])=C1F	REAL300031252758	0	42	-1.0	-68.48	357.97	2.20	-66.28
COC1=NC(C(=O)N2CC(NC(=O)C3=NSNC3=O)CCC2C)=CC(=O)[N-]1	REAL300031252798	0	44	-1.0	-59.08	364.75	-2.29	-61.37
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300031252803	0	41	-1.0	-70.68	363.21	2.18	-68.50
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300031252834	0	42	-1.0	-61.62	361.66	2.61	-59.01
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=NC=C1[O-]	REAL300031252842	0	41	-1.0	-75.97	344.48	1.10	-74.87
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300031252847	0	38	-1.0	-70.16	326.54	-0.95	-71.11
CC1=C([O-])N=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CCC2C)S1	REAL300031252865	1	41	-1.0	-69.46	355.01	0.02	-69.44
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300031252948	1	44	-1.0	-59.09	374.41	2.18	-56.91
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CN=C(C=N[O-])S1	REAL300031252964	0	41	-1.0	-72.29	365.72	-0.02	-72.31
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031252981	1	41	-1.0	-53.70	359.37	2.65	-51.05
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300031252999	0	42	-1.0	-57.45	351.71	-2.28	-59.73
CCN1[N-]C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CCC2C)=CC1=O	REAL300031253053	0	45	-1.0	-55.63	368.86	1.72	-53.91
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300031253067	0	42	-1.0	-64.03	354.02	0.66	-63.37
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300031253076	0	42	-1.0	-58.67	368.14	-1.16	-59.83
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)CC1=CC(=O)N[N-]1	REAL300031253178	1	42	-1.0	-66.13	355.33	-0.59	-66.72
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300031253183	1	42	-1.0	-64.81	351.83	2.17	-62.64
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300031253219	0	42	-1.0	-64.79	359.22	2.26	-62.53
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300031253223	0	41	-1.0	-63.08	355.29	1.57	-61.51
CC1=C(CC(=O)N2CC(NC(=O)C3=NSNC3=O)CCC2C)C(=O)N(C)[N-]1	REAL300031253237	0	48	-1.0	-60.60	394.63	2.01	-58.59
CC1=CN=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CCC2C)C([O-])=C1	REAL300031253272	1	44	-1.0	-63.66	361.67	3.31	-60.35
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC([O-])=CS1	REAL300031253291	0	39	-1.0	-68.03	336.75	1.00	-67.03
CC1CCC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300031253304	0	42	-1.0	-72.93	352.44	2.64	-70.29
CC1CCC(NC(=O)C2=CC(=O)N(C)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300031253453	0	42	-1.0	-48.63	354.69	0.55	-48.08
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300031253460	0	42	-1.0	-53.57	365.22	-1.15	-54.72
CC1CCC(NC(=O)C2=NC(=O)[N-]C(=O)N2)CN1C(=O)C1=NSNC1=O	REAL300031253609	0	40	-1.0	-49.47	344.99	-4.23	-53.70
CC1CCC(NC(=O)C2=NC(=O)NC(=O)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300031253609	1	40	-1.0	-48.59	342.01	-3.27	-51.86
CC1CCC(NC(=O)CN2[N-]C(=O)C=CC2=O)CN1C(=O)C1=NSNC1=O	REAL300031253748	0	44	-1.0	-52.05	373.59	-0.59	-52.64
CC1CCC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NSNC1=O	REAL300031253755	0	38	-1.0	-51.11	326.62	-0.68	-51.79
CC1CCC(NC(=O)C2=CN([O-])C(=O)NC2=O)CN1C(=O)C1=NSNC1=O	REAL300031253766	0	42	-1.0	-52.28	353.80	0.73	-51.55
CC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1CNC(=O)C1=NSNC1=O	REAL300031254533	0	43	-1.0	-54.45	360.64	-3.13	-57.58
CC1CCN(C(=O)CN2C(=O)[N-]NC2=O)CC1CNC(=O)C1=NSNC1=O	REAL300031254582	0	45	-1.0	-55.57	376.59	-1.44	-57.01
CC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1CNC(=O)C1=NSNC1=O	REAL300031254928	0	45	-1.0	-59.41	384.28	3.13	-56.28
CC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1CNC(=O)C1=NSNC1=O	REAL300031255003	0	45	-1.0	-48.56	373.17	-2.17	-50.73
CC1CCN(C(=O)C2=COC(=O)[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300031255014	1	41	-1.0	-48.71	349.06	-0.42	-49.13
CCN1[N-]C(C(=O)N2CCC(C)C(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031255119	0	48	-1.0	-52.75	398.49	2.14	-50.61
CC1CCN(C(=O)CC2=CC(=O)N[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300031255126	1	45	-1.0	-58.09	371.57	-0.35	-58.44
CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300031255145	0	44	-1.0	-55.88	365.07	-0.58	-56.46
CC1CCN(C(=O)C2=C[N-]N=CC2=O)CC1CNC(=O)C1=NSNC1=O	REAL300031255197	0	43	-1.0	-48.87	367.22	1.00	-47.87
CC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300031255255	0	42	-1.0	-49.40	353.95	-0.50	-49.90
CC1CCN(C(=O)C(=O)[PH](C)(C)[O-])CC1CNC(=O)C1=NSNC1=O	REAL300031255260	0	47	-1.0	-47.63	382.43	0.64	-46.99
CC1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1CNC(=O)C1=NSNC1=O	REAL300031255280	0	45	-1.0	-72.72	383.53	3.12	-69.60
CC1SC(C(=O)N2CCC(C)C(CNC(=O)C3=NSNC3=O)C2)=NC1=O	REAL300031255299	0	44	-1.0	-54.05	374.60	0.02	-54.03
CC1=C([O-])N=C(C(=O)N2CCC(C)C(CNC(=O)C3=NSNC3=O)C2)S1	REAL300031255299	1	44	-1.0	-54.05	374.60	0.02	-54.03
CC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1CNC(=O)C1=NSNC1=O	REAL300031255314	0	45	-1.0	-58.83	384.51	3.16	-55.67
CC1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1CNC(=O)C1=NSNC1=O	REAL300031255336	0	45	-1.0	-72.65	383.76	2.92	-69.73
CC1CCN(C(=O)CC2=NC([O-])=CS2)CC1CNC(=O)C1=NSNC1=O	REAL300031255438	0	44	-1.0	-69.09	377.42	-1.08	-70.17
CC1=CC(=O)C(C(=O)N2CCC(C)C(CNC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031255577	0	46	-1.0	-52.36	377.80	2.77	-49.59
CC1CCN(C(=O)C2=NNC(=O)[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300031255587	0	41	-1.0	-53.06	342.34	-2.26	-55.32
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=NC=CC=C1O	REAL300031255922	0	44	-1.0	-68.13	359.93	2.64	-65.49
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=NC=CC=C1[O-]	REAL300031255922	1	44	-1.0	-68.13	359.93	2.64	-65.49
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300031256011	0	43	-1.0	-59.94	359.43	-2.86	-62.80
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)CN1C(=O)[N-]NC1=O	REAL300031256098	0	45	-1.0	-60.74	373.56	-1.21	-61.95
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=COC(=O)[N-]1	REAL300031256894	1	41	-1.0	-60.54	343.05	-1.80	-62.34
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=C([O-])C=C1F	REAL300031256956	1	45	-1.0	-59.68	369.38	2.81	-56.87
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC([O-])=CC(=O)O1	REAL300031256959	0	44	-1.0	-59.18	368.20	1.96	-57.22
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)CCC1=NC(=O)[N-]N1	REAL300031257007	1	47	-1.0	-67.39	383.80	-1.13	-68.52
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=C[N-]N=CC1=O	REAL300031257016	0	43	-1.0	-54.47	358.43	1.64	-52.83
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=CC(F)=C1[O-]	REAL300031257023	0	45	-1.0	-70.84	368.92	4.41	-66.43
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=CC([O-])=C1F	REAL300031257078	1	45	-1.0	-68.79	369.25	2.79	-66.00
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(=O)N[N-]1	REAL300031257143	0	42	-1.0	-57.72	354.21	-0.53	-58.25
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C(=O)[PH](C)(C)[O-]	REAL300031257148	0	47	-1.0	-56.43	382.01	0.71	-55.72
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300031257194	0	45	-1.0	-71.36	377.22	3.54	-67.82
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=NC(=O)N[N-]1	REAL300031257209	0	41	-1.0	-59.90	348.81	-1.83	-61.73
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=CN([O-])C1=O	REAL300031257213	0	45	-1.0	-77.37	374.48	3.70	-73.67
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(F)=CC=C1O	REAL300031257310	0	45	-1.0	-63.78	375.44	4.69	-59.09
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(F)=CC=C1[O-]	REAL300031257310	1	45	-1.0	-63.78	375.44	4.69	-59.09
CC1=CC=NC(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCC2C)=C1O	REAL300031257351	0	47	-1.0	-68.14	380.25	3.33	-64.81
CC1=CC=NC(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCC2C)=C1[O-]	REAL300031257351	1	47	-1.0	-68.14	380.25	3.33	-64.81
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CN=CC(O)=C1	REAL300031257406	0	44	-1.0	-61.26	366.23	1.22	-60.04
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CN=CC([O-])=C1	REAL300031257406	1	44	-1.0	-61.26	366.23	1.22	-60.04
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)CC1=NC([O-])=CS1	REAL300031257485	0	44	-1.0	-72.06	374.39	-0.89	-72.95
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=C(O)C=CC=C1F	REAL300031257496	0	45	-1.0	-66.36	380.93	2.96	-63.40
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=C([O-])C=CC=C1F	REAL300031257496	1	45	-1.0	-66.36	380.93	2.96	-63.40
CC1=CC(=O)C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCC2C)=N[N-]1	REAL300031257581	0	46	-1.0	-61.06	376.60	2.99	-58.07
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300031257596	0	45	-1.0	-82.15	368.25	4.30	-77.85
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=NN(C)C(=O)[N-]1	REAL300031257638	0	44	-1.0	-62.98	365.41	-0.54	-63.52
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=C(F)C(O)=C1	REAL300031257753	0	45	-1.0	-66.01	377.42	3.05	-62.96
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=C(F)C([O-])=C1	REAL300031257753	1	45	-1.0	-66.01	377.42	3.05	-62.96
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300031257800	0	43	-1.0	-62.90	367.34	-3.58	-66.48
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300031257800	1	43	-1.0	-55.47	361.64	-3.09	-58.56
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CN=C(N)[N-]C1=O	REAL300031257835	1	45	-1.0	-62.79	372.66	0.35	-62.44
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=NC=C1[O-]	REAL300031257911	1	44	-1.0	-65.28	364.31	2.82	-62.46
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300031257916	0	41	-1.0	-61.64	342.62	-0.32	-61.96
CC1=C([O-])N=C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCC2C)S1	REAL300031257931	1	44	-1.0	-67.63	374.42	-0.68	-68.31
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300031258023	0	45	-1.0	-56.83	370.98	-1.64	-58.47
CCN1[N-]C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCC2C)=CC1=O	REAL300031258061	0	48	-1.0	-60.77	398.75	2.11	-58.66
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(=O)N(C)[N-]1	REAL300031258077	0	45	-1.0	-60.08	377.02	1.18	-58.90
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)CC1=CC(=O)N[N-]1	REAL300031258155	1	45	-1.0	-62.52	368.54	-0.17	-62.69
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=C([O-])C(F)=C1	REAL300031258159	1	45	-1.0	-61.76	377.38	3.09	-58.67
CC1=CN=C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCC2C)C([O-])=C1	REAL300031258215	1	47	-1.0	-69.56	381.38	3.28	-66.28
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC([O-])=CS1	REAL300031258227	0	42	-1.0	-64.84	357.11	1.65	-63.19
CC1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300031258238	0	45	-1.0	-70.73	370.51	3.26	-67.47
CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300031258329	0	45	-1.0	-51.90	370.39	0.95	-50.95
CC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1CNC(=O)C1=NSNC1=O	REAL300031258414	0	43	-1.0	-45.28	367.89	-2.24	-47.52
CC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300031258414	1	43	-1.0	-45.28	367.89	-2.24	-47.52
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CC(CC(C)NC(=O)C1=CC=NC=C1[O-])NC(=O)C1=NSNC1=O	REAL300031268117	1	40	-1.0	-68.75	342.93	2.00	-66.75
CC(CC(C)NC(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300031268127	0	37	-1.0	-51.96	333.39	-0.79	-52.75
CC1=C([O-])N=C(C(=O)NC(C)CC(C)NC(=O)C2=NSNC2=O)S1	REAL300031268160	1	40	-1.0	-43.73	361.82	-0.90	-44.63
CC(CC(C)NC(=O)C1=NSNC1=O)NC(=O)C(=O)C1=CC=C([O-])C=C1	REAL300031268277	1	43	-1.0	-57.44	376.81	2.10	-55.34
CC(CC(C)NC(=O)C1=NSNC1=O)NC(=O)C1=CN=C(C=N[O-])S1	REAL300031268311	0	40	-1.0	-71.51	379.43	-0.61	-72.12
CC(CC(C)NC(=O)C1=CC(=O)C=C(Cl)[N-]1)NC(=O)C1=NSNC1=O	REAL300031268342	1	40	-1.0	-57.17	374.20	1.10	-56.07
CSC1=NC=C(C(=O)NC(C)CC(C)NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031268367	1	43	-1.0	-43.61	384.66	0.82	-42.79
CC(CC(C)NC(=O)C1=CC(=O)NC([O-])=C1)NC(=O)C1=NSNC1=O	REAL300031268374	0	41	-1.0	-58.90	367.15	-3.04	-61.94
CCN1[N-]C(C(=O)NC(C)CC(C)NC(=O)C2=NSNC2=O)=CC1=O	REAL300031268449	0	44	-1.0	-43.54	375.71	1.06	-42.48
CC(CC(C)NC(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300031268471	0	41	-1.0	-54.81	358.44	0.46	-54.35
CC(CC(C)NC(=O)C1=NSNC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300031268487	0	41	-1.0	-55.89	376.44	-1.48	-57.37
CC1=C(C(=O)NC(C)CC(C)NC(=O)C2=NSNC2=O)C(=S)[N-]C(=O)N1	REAL300031268489	1	43	-1.0	-78.62	393.85	-0.92	-79.54
CC(CC(C)NC(=O)C1=NSNC1=O)NC(=O)CC1=CC(=O)N[N-]1	REAL300031268659	1	41	-1.0	-66.81	364.72	-1.58	-68.39
CC(CC(C)NC(=O)C1=CC=C([O-])C(F)=C1)NC(=O)C1=NSNC1=O	REAL300031268665	1	41	-1.0	-64.09	367.22	1.42	-62.67
CC(CC(C)NC(=O)C1=CC(F)=C([O-])C(F)=C1)NC(=O)C1=NSNC1=O	REAL300031268724	0	41	-1.0	-64.68	373.43	1.49	-63.19
CC(CC(C)NC(=O)C1=CC=NC(Cl)=C1[O-])NC(=O)C1=NSNC1=O	REAL300031268730	0	40	-1.0	-69.56	370.34	1.58	-67.98
CC1=C(CC(=O)NC(C)CC(C)NC(=O)C2=NSNC2=O)C(=O)N(C)[N-]1	REAL300031268750	0	47	-1.0	-64.80	407.53	0.83	-63.97
CC1=CN=C(C(=O)NC(C)CC(C)NC(=O)C2=NSNC2=O)C([O-])=C1	REAL300031268796	1	43	-1.0	-73.64	377.54	1.87	-71.77
CC(CC(C)NC(=O)C1=NSNC1=O)NC(=O)C1=CC([O-])=CS1	REAL300031268827	0	38	-1.0	-61.47	341.73	1.27	-60.20
CC(CC(C)NC(=O)C1=CN([O-])C(=O)C=C1)NC(=O)C1=NSNC1=O	REAL300031268848	0	41	-1.0	-67.51	354.84	2.81	-64.70
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300031270843	0	38	-1.0	-67.98	341.24	-2.51	-70.49
O=C(CN1C(=O)[N-]NC1=O)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300031270934	0	40	-1.0	-58.79	357.99	-0.94	-59.73
O=C(C1=CN([O-])C(=O)C=C1)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300031271560	0	40	-1.0	-79.97	349.33	3.13	-76.84
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300031271680	0	40	-1.0	-53.08	351.02	-1.77	-54.85
O=C(C1=COC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300031271691	1	36	-1.0	-53.59	324.28	-0.97	-54.56
CCN1[N-]C(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031271867	0	43	-1.0	-66.28	373.79	2.21	-64.07
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300031271875	1	40	-1.0	-71.07	352.05	0.17	-70.90
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC=CC(=S)N3[O-])C2)C1	REAL300031271893	0	40	-1.0	-99.74	359.27	5.21	-94.53
O=C(CC1SC(=O)[N-]C1=O)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300031271903	0	40	-1.0	-61.98	366.47	-1.33	-63.31
CN1N=C(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300031271919	0	39	-1.0	-60.49	347.54	-0.28	-60.77
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300031272010	0	38	-1.0	-55.92	332.37	2.33	-53.59
O=C(C1=CC(=O)N[N-]1)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300031272117	0	37	-1.0	-62.61	329.19	-0.46	-63.07
C[PH](C)([O-])C(=O)C(=O)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300031272122	0	42	-1.0	-60.91	362.13	0.75	-60.16
O=C(CCC1=NC(=O)NN1)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300031272150	0	42	-1.0	-63.69	368.23	-0.85	-64.54
O=C(CCC1=NC(=O)[N-]N1)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300031272150	1	42	-1.0	-63.69	368.23	-0.85	-64.54
O=C(C1=CC=CN([O-])C1=O)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300031272154	0	40	-1.0	-79.49	358.01	3.46	-76.03
CC1SC(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)C3)=NC1=O	REAL300031272183	0	39	-1.0	-60.46	356.81	-0.10	-60.56
CC1=C([O-])N=C(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)C3)S1	REAL300031272183	1	39	-1.0	-60.46	356.81	-0.10	-60.56
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC(=O)C=C(Cl)N3)C2)C1	REAL300031272197	0	39	-1.0	-50.89	359.83	2.93	-47.96
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C2)C1	REAL300031272197	1	39	-1.0	-50.89	359.83	2.93	-47.96
O=C(C1=CC(=O)N([O-])C=C1)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300031272216	0	40	-1.0	-70.31	350.69	3.10	-67.21
O=C(C1=CC=CC(=O)N1[O-])N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300031272251	0	40	-1.0	-96.86	348.16	4.17	-92.69
NC1=NC([O-])=C(CC(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)C3)S1	REAL300031272381	0	41	-1.0	-84.80	372.72	-1.45	-86.25
O=C(CC1=NC([O-])=CS1)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300031272429	0	39	-1.0	-74.48	357.87	-0.54	-75.02
CCC1=NC=C(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)C3)C(=O)N1	REAL300031272447	0	44	-1.0	-64.87	373.16	2.76	-62.11
CCC1=NC=C(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300031272447	1	44	-1.0	-64.87	373.16	2.76	-62.11
CC1=CC(=O)C(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300031272675	0	41	-1.0	-57.34	358.57	3.33	-54.01
O=C(C1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300031272690	0	36	-1.0	-57.74	324.79	-1.95	-59.69
O=C(C1=CN=C(C=N[O-])S1)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300031272807	0	39	-1.0	-67.04	363.65	0.79	-66.25
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=NC=CC=C1[O-])C2	REAL300031273079	1	39	-1.0	-63.28	341.78	3.19	-60.09
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300031273206	0	38	-1.0	-64.75	340.54	-2.54	-67.29
O=C(CN1C(=O)[N-]NC1=O)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300031273378	0	40	-1.0	-64.65	357.54	-1.08	-65.73
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC(Cl)=CC=C1[O-])C2	REAL300031274799	1	40	-1.0	-67.89	362.70	4.27	-63.62
N#CC1=CC([O-])=CC(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=C1	REAL300031274824	1	41	-1.0	-56.62	365.18	2.74	-53.88
CCC1=NC=C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)[N-]1	REAL300031274912	1	44	-1.0	-56.67	384.87	1.48	-55.19
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=COC(=O)[N-]1)C2	REAL300031274931	1	36	-1.0	-51.31	325.28	-0.76	-52.07
O=C(C[N-]C(=O)C(F)(F)F)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300031275001	0	39	-1.0	-50.88	363.51	-0.79	-51.67
NC1=NC([O-])=C(CC(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)S1	REAL300031275002	0	41	-1.0	-67.98	374.73	-1.60	-69.58
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=C(F)C=C([O-])C=C1F)C2	REAL300031275012	0	40	-1.0	-50.39	366.65	2.82	-47.57
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=C([O-])C=C1F)C2	REAL300031275027	1	40	-1.0	-58.04	352.49	2.58	-55.46
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC([O-])=CC(=O)O1)C2	REAL300031275033	0	39	-1.0	-53.11	350.15	1.93	-51.18
N#CC1=CC=C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)C=C1[O-]	REAL300031275040	1	41	-1.0	-59.72	364.13	2.79	-56.93
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC(Cl)=NC=C1[O-])C2	REAL300031275043	0	39	-1.0	-64.16	357.81	2.33	-61.83
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300031275061	0	41	-1.0	-61.38	369.41	-2.19	-63.57
CC1=CC=C([O-])C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=N1	REAL300031275124	1	42	-1.0	-64.10	363.39	3.77	-60.33
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300031275142	0	38	-1.0	-49.32	343.77	1.14	-48.18
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=CC(F)=C1[O-])C2	REAL300031275151	0	40	-1.0	-66.42	353.89	3.42	-63.00
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=CC([O-])=C1F)C2	REAL300031275247	1	40	-1.0	-64.99	354.15	2.56	-62.43
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300031275355	0	37	-1.0	-51.76	330.13	-0.53	-52.29
C[PH](C)([O-])C(=O)C(=O)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300031275361	0	42	-1.0	-54.06	367.85	0.68	-53.38
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300031275457	0	40	-1.0	-74.35	349.94	2.91	-71.44
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=NNC(=O)[N-]1)C2	REAL300031275482	0	36	-1.0	-55.44	324.81	-2.00	-57.44
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=C(O)C=CC=C1Cl)C2	REAL300031275485	0	40	-1.0	-55.81	369.61	3.19	-52.62
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=C([O-])C=CC=C1Cl)C2	REAL300031275485	1	40	-1.0	-55.81	369.61	3.19	-52.62
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300031275489	0	40	-1.0	-72.07	360.09	3.26	-68.81
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=C(F)C=CC(O)=C1F)C2	REAL300031275518	0	40	-1.0	-65.36	365.74	2.77	-62.59
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=C(F)C=CC([O-])=C1F)C2	REAL300031275518	1	40	-1.0	-65.36	365.74	2.77	-62.59
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC(F)=CC=C1O)C2	REAL300031275662	0	40	-1.0	-67.25	352.38	3.81	-63.44
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC(F)=CC=C1[O-])C2	REAL300031275662	1	40	-1.0	-67.25	352.38	3.81	-63.44
CC1=CC=NC(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=C1O	REAL300031275727	0	42	-1.0	-62.79	362.11	3.88	-58.91
CC1=CC=NC(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=C1[O-]	REAL300031275727	1	42	-1.0	-62.79	362.11	3.88	-58.91
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CN=CC(O)=C1)C2	REAL300031275842	0	39	-1.0	-58.00	339.81	0.57	-57.43
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CN=CC([O-])=C1)C2	REAL300031275842	1	39	-1.0	-58.00	339.81	0.57	-57.43
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=CC(=S)N1[O-])C2	REAL300031275852	0	40	-1.0	-74.78	370.95	3.69	-71.09
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=C([O-])C(Cl)=N1)C2	REAL300031275964	0	39	-1.0	-48.68	360.08	2.01	-46.67
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=C([O-])C=C1Cl)C2	REAL300031276006	1	40	-1.0	-56.60	361.14	3.01	-53.59
O=C(CC1=NC([O-])=CS1)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300031276017	0	39	-1.0	-71.18	359.91	-0.73	-71.91
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=C([O-])C=CC=C1F)C2	REAL300031276032	0	40	-1.0	-56.65	360.12	2.82	-53.83
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300031276034	0	42	-1.0	-58.42	375.18	-0.08	-58.50
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=C(F)C=C1[O-])C2	REAL300031276035	0	40	-1.0	-66.35	352.27	3.89	-62.46
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300031276072	0	43	-1.0	-67.89	378.45	3.38	-64.51
O=C(CC1SC(=O)[N-]C1=O)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300031276141	0	40	-1.0	-57.29	366.48	-1.53	-58.82
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=C([O-])C(F)=C1F)C2	REAL300031276166	0	40	-1.0	-63.88	358.67	2.58	-61.30
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=CC(Cl)=C1[O-])C2	REAL300031276173	0	40	-1.0	-61.17	363.69	3.90	-57.27
CC1=CC(=O)C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=N[N-]1	REAL300031276202	0	41	-1.0	-57.29	357.62	3.35	-53.94
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300031276227	0	40	-1.0	-71.56	359.84	3.07	-68.49
N#CC1=CC=C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)[N-]1	REAL300031276257	0	40	-1.0	-53.06	369.80	0.97	-52.09
CN1N=C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)[N-]C1=O	REAL300031276306	0	39	-1.0	-58.33	347.64	-0.35	-58.68
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=C(F)C=CC(O)=C1O)C2	REAL300031276359	0	41	-1.0	-71.40	370.11	0.87	-70.53
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=C(F)C=CC(O)=C1[O-])C2	REAL300031276359	1	41	-1.0	-71.40	370.11	0.87	-70.53
N#CC1=CC=C([O-])C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=C1	REAL300031276368	0	41	-1.0	-64.18	366.83	4.16	-60.02
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CN([O-])C(=O)NC1=O)C2	REAL300031276462	0	40	-1.0	-55.36	365.20	0.70	-54.66
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=C(F)C(O)=C1)C2	REAL300031276515	0	40	-1.0	-64.01	350.18	2.41	-61.60
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=C(F)C([O-])=C1)C2	REAL300031276515	1	40	-1.0	-64.01	350.18	2.41	-61.60
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=C(Cl)C=C1O)C2	REAL300031276534	0	40	-1.0	-65.98	362.58	4.34	-61.64
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=C(Cl)C=C1[O-])C2	REAL300031276534	1	40	-1.0	-65.98	362.58	4.34	-61.64
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300031276604	0	38	-1.0	-54.62	342.93	-2.99	-57.61
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300031276604	1	38	-1.0	-48.35	343.51	-2.24	-50.59
NC1=NC=C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)[N-]1	REAL300031276664	1	40	-1.0	-57.16	358.24	-0.17	-57.33
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=C(F)C([O-])=C1F)C2	REAL300031276699	0	40	-1.0	-73.04	358.62	2.56	-70.48
COC1=NC(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=CC(=O)[N-]1	REAL300031276744	0	42	-1.0	-56.93	368.86	-2.01	-58.94
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=NC=CC(Cl)=C1[O-])C2	REAL300031276754	0	39	-1.0	-59.60	357.98	3.70	-55.90
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=C(Cl)C([O-])=C1)C2	REAL300031276792	0	40	-1.0	-60.06	359.99	2.89	-57.17
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=NC=C1[O-])C2	REAL300031276801	0	39	-1.0	-61.10	342.54	1.50	-59.60
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300031276807	0	36	-1.0	-57.40	323.92	-0.28	-57.68
CC1=C([O-])N=C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)S1	REAL300031276830	1	39	-1.0	-57.22	357.05	0.07	-57.15
O=C(C(=O)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)C1)C1=CC=C([O-])C=C1	REAL300031276924	1	42	-1.0	-59.80	366.46	2.73	-57.07
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CN=C(C=N[O-])S1)C2	REAL300031276945	0	39	-1.0	-67.29	362.96	0.62	-66.67
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2	REAL300031276969	1	39	-1.0	-55.32	358.93	3.07	-52.25
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300031276991	0	40	-1.0	-50.26	360.86	-1.63	-51.89
CCN1[N-]C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300031277052	0	43	-1.0	-55.13	374.67	2.12	-53.01
CN1[N-]C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300031277073	0	40	-1.0	-54.33	352.86	1.18	-53.15
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300031277083	0	40	-1.0	-56.96	370.38	-0.79	-57.75
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300031277219	1	40	-1.0	-60.81	354.06	-0.01	-60.82
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=C([O-])C(F)=C1)C2	REAL300031277224	1	40	-1.0	-63.19	350.15	2.45	-60.74
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC(F)=C([O-])C(F)=C1)C2	REAL300031277271	0	40	-1.0	-57.93	356.69	2.51	-55.42
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=NC(Cl)=C1[O-])C2	REAL300031277276	0	39	-1.0	-68.52	357.13	2.36	-66.16
CC1=C(CC(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)N(C)[N-]1	REAL300031277291	0	46	-1.0	-69.77	395.40	2.38	-67.39
CC1=CN=C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)C([O-])=C1	REAL300031277327	1	42	-1.0	-64.62	363.22	3.82	-60.80
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC([O-])=CS1)C2	REAL300031277350	0	37	-1.0	-69.37	336.52	1.47	-67.90
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300031277366	0	40	-1.0	-71.99	359.86	3.29	-68.70
CN1[N-]C(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031277531	0	40	-1.0	-65.40	352.00	1.26	-64.14
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300031277538	0	40	-1.0	-57.78	369.28	-0.69	-58.47
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300031277700	0	38	-1.0	-63.05	341.64	-3.16	-66.21
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1	REAL300031277700	1	38	-1.0	-50.99	343.54	-2.48	-53.47
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300031277851	0	42	-1.0	-69.06	373.17	0.11	-68.95
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300031277859	0	36	-1.0	-58.19	324.14	-0.09	-58.28
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CN([O-])C(=O)NC3=O)C2)C1	REAL300031277872	0	40	-1.0	-58.26	353.59	1.91	-56.35
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=NNC(=O)[N-]C1=O	REAL300031278630	0	41	-1.0	-52.67	357.22	-3.71	-56.38
O=C(CN1C(=O)[N-]NC1=O)NCC1CN(C(=O)C2=NSNC2=O)CCCO1	REAL300031278674	0	43	-1.0	-52.24	371.34	-2.05	-54.29
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=CN([O-])C(=O)C=C1	REAL300031279011	0	43	-1.0	-66.05	368.29	2.43	-63.62
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=CC(=O)NC([O-])=C1	REAL300031279083	0	43	-1.0	-48.51	368.76	-2.49	-51.00
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=COC(=O)[N-]1	REAL300031279093	1	39	-1.0	-49.85	340.83	-2.64	-52.49
CCN1[N-]C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCCO2)=CC1=O	REAL300031279197	0	46	-1.0	-51.62	390.21	0.99	-50.63
O=C(CC1=CC(=O)N[N-]1)NCC1CN(C(=O)C2=NSNC2=O)CCCO1	REAL300031279204	1	43	-1.0	-56.39	366.32	-1.01	-57.40
CN1N=C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCCO2)[N-]C1=O	REAL300031279222	0	42	-1.0	-54.43	362.98	-1.44	-55.87
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=C[N-]N=CC1=O	REAL300031279272	0	41	-1.0	-41.86	349.88	0.52	-41.34
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=CC(=O)N[N-]1	REAL300031279327	0	40	-1.0	-48.59	345.66	-1.66	-50.25
C[PH](C)([O-])C(=O)C(=O)NCC1CN(C(=O)C2=NSNC2=O)CCCO1	REAL300031279332	0	45	-1.0	-46.68	383.03	-0.16	-46.84
O=C(CCC1=NC(=O)NN1)NCC1CN(C(=O)C2=NSNC2=O)CCCO1	REAL300031279350	0	45	-1.0	-61.09	380.42	-1.80	-62.89
O=C(CCC1=NC(=O)[N-]N1)NCC1CN(C(=O)C2=NSNC2=O)CCCO1	REAL300031279350	1	45	-1.0	-61.09	380.42	-1.80	-62.89
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=CC=CN([O-])C1=O	REAL300031279352	0	43	-1.0	-60.42	365.07	2.70	-57.72
CC1SC(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCCO2)=NC1=O	REAL300031279369	0	42	-1.0	-56.40	372.20	-1.52	-57.92
CC1=C([O-])N=C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCCO2)S1	REAL300031279369	1	42	-1.0	-56.40	372.20	-1.52	-57.92
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=CC(=O)N([O-])C=C1	REAL300031279383	0	43	-1.0	-66.93	368.67	2.41	-64.52
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=CC=CC(=O)N1[O-]	REAL300031279403	0	43	-1.0	-76.41	364.91	3.54	-72.87
O=C(CC1=NC([O-])=CS1)NCC1CN(C(=O)C2=NSNC2=O)CCCO1	REAL300031279502	0	42	-1.0	-68.48	372.17	-1.72	-70.20
CC1=CC(=O)C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCCO2)=N[N-]1	REAL300031279638	0	44	-1.0	-50.13	374.38	2.15	-47.98
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=NNC(=O)[N-]1	REAL300031279647	0	39	-1.0	-51.77	340.15	-3.10	-54.87
O=C(NCC1CN(C(=O)C2=NC=CC=C2[O-])CCCO1)C1=NSNC1=O	REAL300031279976	1	42	-1.0	-62.35	357.25	2.14	-60.21
O=C(NCC1CN(C(=O)C2=NNC(=O)[N-]C2=O)CCCO1)C1=NSNC1=O	REAL300031280066	0	41	-1.0	-57.09	356.91	-3.79	-60.88
O=C(CN1C(=O)[N-]NC1=O)N1CCCOC(CNC(=O)C2=NSNC2=O)C1	REAL300031280147	0	43	-1.0	-58.86	375.63	-2.46	-61.32
O=C(NCC1CN(C(=O)C2=COC(=O)[N-]2)CCCO1)C1=NSNC1=O	REAL300031280911	1	39	-1.0	-53.94	341.15	-1.39	-55.33
O=C(NCC1CN(C(=O)C2=CC=C([O-])C=C2F)CCCO1)C1=NSNC1=O	REAL300031280972	1	43	-1.0	-55.49	373.08	1.34	-54.15
O=C(NCC1CN(C(=O)C2=CC([O-])=CC(=O)O2)CCCO1)C1=NSNC1=O	REAL300031280975	0	42	-1.0	-56.71	363.62	0.39	-56.32
CC1=CC=C([O-])C(C(=O)N2CCCOC(CNC(=O)C3=NSNC3=O)C2)=N1	REAL300031281019	1	45	-1.0	-62.02	369.86	2.71	-59.31
O=C(NCC1CN(C(=O)C2=C[N-]N=CC2=O)CCCO1)C1=NSNC1=O	REAL300031281029	0	41	-1.0	-50.49	360.37	-0.26	-50.75
O=C(NCC1CN(C(=O)C2=CC=CC(F)=C2[O-])CCCO1)C1=NSNC1=O	REAL300031281036	0	43	-1.0	-68.35	372.92	1.63	-66.72
O=C(NCC1CN(C(=O)C2=CC=CC([O-])=C2F)CCCO1)C1=NSNC1=O	REAL300031281087	1	43	-1.0	-65.81	373.19	1.24	-64.57
O=C(NCC1CN(C(=O)C2=CC(=O)N[N-]2)CCCO1)C1=NSNC1=O	REAL300031281148	0	40	-1.0	-52.87	345.75	-1.60	-54.47
C[PH](C)([O-])C(=O)C(=O)N1CCCOC(CNC(=O)C2=NSNC2=O)C1	REAL300031281153	0	45	-1.0	-52.57	384.56	-0.67	-53.24
O=C(NCC1CN(C(=O)C2=CC(=O)N([O-])C=C2)CCCO1)C1=NSNC1=O	REAL300031281198	0	43	-1.0	-65.60	377.34	1.90	-63.70
O=C(NCC1CN(C(=O)C2=NNC(=O)[N-]2)CCCO1)C1=NSNC1=O	REAL300031281212	0	39	-1.0	-56.36	340.70	-3.17	-59.53
O=C(NCC1CN(C(=O)C2=CC=CN([O-])C2=O)CCCO1)C1=NSNC1=O	REAL300031281215	0	43	-1.0	-73.88	376.54	1.87	-72.01
O=C(NCC1CN(C(=O)C2=CC(F)=CC=C2O)CCCO1)C1=NSNC1=O	REAL300031281309	0	43	-1.0	-59.59	373.08	1.67	-57.92
O=C(NCC1CN(C(=O)C2=CC(F)=CC=C2[O-])CCCO1)C1=NSNC1=O	REAL300031281309	1	43	-1.0	-59.59	373.08	1.67	-57.92
CC1=CC=NC(C(=O)N2CCCOC(CNC(=O)C3=NSNC3=O)C2)=C1O	REAL300031281349	0	45	-1.0	-61.93	377.57	2.83	-59.10
CC1=CC=NC(C(=O)N2CCCOC(CNC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300031281349	1	45	-1.0	-61.93	377.57	2.83	-59.10
O=C(NCC1CN(C(=O)C2=CN=CC(O)=C2)CCCO1)C1=NSNC1=O	REAL300031281403	0	42	-1.0	-57.01	361.62	-0.72	-57.73
O=C(NCC1CN(C(=O)C2=CN=CC([O-])=C2)CCCO1)C1=NSNC1=O	REAL300031281403	1	42	-1.0	-57.01	361.62	-0.72	-57.73
O=C(CC1=NC([O-])=CS1)N1CCCOC(CNC(=O)C2=NSNC2=O)C1	REAL300031281475	0	42	-1.0	-73.78	376.18	-2.01	-75.79
CC1=CC(=O)C(C(=O)N2CCCOC(CNC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031281568	0	44	-1.0	-55.32	374.10	2.07	-53.25
O=C(NCC1CN(C(=O)C2=CC=CC(=O)N2[O-])CCCO1)C1=NSNC1=O	REAL300031281582	0	43	-1.0	-76.73	376.46	1.63	-75.10
CN1N=C(C(=O)N2CCCOC(CNC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031281623	0	42	-1.0	-58.28	363.44	-1.49	-59.77
O=C(NCC1CN(C(=O)C2=CC=C(F)C(O)=C2)CCCO1)C1=NSNC1=O	REAL300031281732	0	43	-1.0	-63.23	372.99	1.23	-62.00
O=C(NCC1CN(C(=O)C2=CC=C(F)C([O-])=C2)CCCO1)C1=NSNC1=O	REAL300031281732	1	43	-1.0	-63.23	372.99	1.23	-62.00
O=C(NCC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCCO1)C1=NSNC1=O	REAL300031281774	0	41	-1.0	-57.94	357.12	-3.76	-61.70
O=C(NCC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCCO1)C1=NSNC1=O	REAL300031281774	1	41	-1.0	-50.89	355.06	-2.67	-53.56
NC1=NC=C(C(=O)N2CCCOC(CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031281808	1	43	-1.0	-58.54	374.80	-1.57	-60.11
O=C(NCC1CN(C(=O)C2=CC=NC=C2[O-])CCCO1)C1=NSNC1=O	REAL300031281880	0	42	-1.0	-62.74	361.80	-0.38	-63.12
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCCO1)C1=NSNC1=O	REAL300031281885	0	39	-1.0	-58.85	340.99	-1.58	-60.43
CC1=C([O-])N=C(C(=O)N2CCCOC(CNC(=O)C3=NSNC3=O)C2)S1	REAL300031281899	1	42	-1.0	-61.01	372.88	-0.72	-61.73
O=C(NCC1CN(C(=O)C2=CC(=O)NC([O-])=C2)CCCO1)C1=NSNC1=O	REAL300031281988	0	43	-1.0	-50.13	377.21	-2.93	-53.06
CCN1[N-]C(C(=O)N2CCCOC(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031282025	0	46	-1.0	-54.67	390.54	0.98	-53.69
CN1[N-]C(C(=O)N2CCCOC(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031282040	0	43	-1.0	-54.23	368.73	0.05	-54.18
O=C(CC1=CC(=O)N[N-]1)N1CCCOC(CNC(=O)C2=NSNC2=O)C1	REAL300031282116	1	43	-1.0	-62.33	370.31	-1.31	-63.64
O=C(NCC1CN(C(=O)C2=CC=C([O-])C(F)=C2)CCCO1)C1=NSNC1=O	REAL300031282120	1	43	-1.0	-55.81	372.98	1.26	-54.55
CC1=CN=C(C(=O)N2CCCOC(CNC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300031282173	1	45	-1.0	-63.51	378.68	2.78	-60.73
O=C(NCC1CN(C(=O)C2=CC([O-])=CS2)CCCO1)C1=NSNC1=O	REAL300031282184	0	40	-1.0	-64.53	348.14	-0.24	-64.77
O=C(NCC1CN(C(=O)C2=CN([O-])C(=O)C=C2)CCCO1)C1=NSNC1=O	REAL300031282195	0	43	-1.0	-65.03	377.12	1.88	-63.15
CN1[N-]C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCCO2)=CC1=O	REAL300031282283	0	43	-1.0	-50.96	368.47	0.05	-50.91
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=NC(=O)[N-]C(=O)N1	REAL300031282364	0	41	-1.0	-46.06	359.43	-3.94	-50.00
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=NC(=O)NC(=O)[N-]1	REAL300031282364	1	41	-1.0	-46.06	359.43	-3.94	-50.00
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=CC(=O)[N-]O1	REAL300031282455	0	39	-1.0	-53.61	340.40	-1.17	-54.78
COCCC1(NC(=O)C2=COC(=O)N2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300031282754	0	45	-1.0	-50.21	372.35	-1.78	-51.99
COCCC1(NC(=O)C2=COC(=O)[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300031282754	1	45	-1.0	-50.21	372.35	-1.78	-51.99
COCCC1(NC(=O)C2=CC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300031282811	0	46	-1.0	-49.83	377.18	-0.81	-50.64
COCCC1(NC(=O)C2=NC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300031282858	0	45	-1.0	-54.01	371.26	-2.16	-56.17
COCCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300031283166	1	45	-1.0	-47.53	372.00	-0.80	-48.33
COCCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300031283213	0	46	-1.0	-53.36	376.71	-0.88	-54.24
COCCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300031283222	0	45	-1.0	-47.49	371.37	-1.52	-49.01
COCCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300031283347	0	45	-1.0	-54.95	370.94	-1.00	-55.95
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300031283471	0	45	-1.0	-54.67	371.93	-0.33	-55.00
CCN(C(=O)C1=NSNC1=O)[C@H](C)CNC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300031283927	1	46	-1.0	-57.39	384.78	2.44	-54.95
CCN(C(=O)C1=NSNC1=O)[C@H](C)CNC(=O)CCCN1C(=O)[N-]NC1=O	REAL300031284536	0	47	-1.0	-54.38	397.01	0.06	-54.32
CCN(C(=O)C1=NSNC1=O)[C@H](C)CNC(=O)CCC1=NNC(=O)[N-]C1=O	REAL300031284738	0	45	-1.0	-54.26	384.71	-2.67	-56.93
CCN(C(=O)C1=NSNC1=O)[C@H](C)CNC(=O)C1=CSC([N-]C(C)=O)=N1	REAL300031284739	1	43	-1.0	-50.82	375.50	1.38	-49.44
CCN(C(=O)C1=NSNC1=O)[C@H](C)CNC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300031284881	1	46	-1.0	-63.09	390.45	1.48	-61.61
CCN(C(=O)C1=NSNC1=O)[C@H](C)CNC(=O)C1=C(OC)C(=O)[N-]C(=O)N1	REAL300031284986	1	44	-1.0	-56.12	370.53	-0.96	-57.08
CCN(C(=O)C1=NSNC1=O)[C@H](C)CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300031285090	0	39	-1.0	-54.84	336.94	-2.25	-57.09
CCN(C(=O)C1=NSNC1=O)[C@H](C)CNC(=O)CN1C(=O)[N-]NC1=O	REAL300031285203	0	41	-1.0	-54.20	354.48	-1.14	-55.34
CCN(C(=O)C1=NSNC1=O)[C@H](C)CNC(=O)C[N-]C(=O)C(F)(F)F	REAL300031287083	0	40	-1.0	-51.42	356.73	-0.35	-51.77
CCN(C(=O)C1=NSNC1=O)[C@H](C)CNC(=O)CC1=C([O-])N=C(N)S1	REAL300031287084	0	42	-1.0	-70.56	366.72	-1.16	-71.72
CCN(C(=O)C1=NSNC1=O)[C@H](C)CNC(=O)CC1=NC([O-])=CS1	REAL300031287142	0	40	-1.0	-69.15	351.90	-0.29	-69.44
CCC1=NC=C(C(=O)NC[C@@H](C)N(CC)C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031287167	1	45	-1.0	-55.86	373.95	1.79	-54.07
CCN(C(=O)C1=NSNC1=O)[C@H](C)CNC(=O)CN1N=CC(=O)[N-]C1=O	REAL300031287179	0	42	-1.0	-60.51	361.40	-1.71	-62.22
CCN(C(=O)C1=NSNC1=O)[C@H](C)CNC(=O)C1=C(Cl)C(=O)[N-]S1	REAL300031287254	0	37	-1.0	-52.23	342.95	1.11	-51.12
CCN(C(=O)C1=NSNC1=O)[C@H](C)CNC(=O)C1=CN=C(COC)NC1=O	REAL300031287358	0	46	-1.0	-56.50	386.88	0.03	-56.47
CCN(C(=O)C1=NSNC1=O)[C@H](C)CNC(=O)C1=CN=C(COC)[N-]C1=O	REAL300031287358	1	46	-1.0	-56.50	386.88	0.03	-56.47
CCN(C(=O)C1=NSNC1=O)[C@H](C)CNC(=O)C1=N[N-]C(C)=CC1=O	REAL300031287457	0	42	-1.0	-55.82	354.10	3.61	-52.21
CCN(C(=O)C1=NSNC1=O)[C@H](C)CNC(=O)C1=NNC(=O)[N-]1	REAL300031287475	0	37	-1.0	-55.31	319.87	-1.65	-56.96
CCN(C(=O)C1=NSNC1=O)[C@H](C)CNC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300031287500	0	42	-1.0	-51.16	366.33	2.26	-48.90
CCN(C(=O)C1=NSNC1=O)[C@H](C)CNC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300031287500	1	42	-1.0	-51.16	366.33	2.26	-48.90
CCN(C(=O)C1=NSNC1=O)[C@H](C)CNC(=O)C1=CN=C(C=N[O-])S1	REAL300031287634	0	40	-1.0	-62.64	360.76	1.40	-61.24
CCN(C(=O)C1=NC=CC=C1O)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031287915	0	40	-1.0	-57.43	340.31	3.16	-54.27
CCN(C(=O)C1=NC=CC=C1[O-])[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031287915	1	40	-1.0	-57.43	340.31	3.16	-54.27
CCN(C(=O)CCN1C=C[N-]C(=O)C1=O)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031288023	1	46	-1.0	-55.15	392.99	0.95	-54.20
CCN(C(=O)C1=CSC([N-]C(C)=O)=N1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031288033	1	43	-1.0	-43.27	375.36	1.81	-41.46
CCN(C(=O)C1=NNC(=O)[N-]C1=O)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031288055	0	39	-1.0	-52.41	336.80	-2.36	-54.77
CCN(C(=O)C1=C(OC)C(=O)[N-]C(=O)N1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031288099	1	44	-1.0	-50.74	378.84	-2.67	-53.41
CCN(C(=O)CN1C(=O)[N-]NC1=O)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031288239	0	41	-1.0	-50.54	357.03	-1.72	-52.26
CCN(C(=O)CCCN1C(=O)[N-]NC1=O)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031289027	0	47	-1.0	-51.74	397.21	0.03	-51.71
CCN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031289198	1	46	-1.0	-55.74	393.49	1.33	-54.41
CCN(C(=O)CCC1=NNC(=O)[N-]C1=O)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031289854	0	45	-1.0	-51.86	387.23	-3.20	-55.06
CCN(C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031289862	0	43	-1.0	-51.90	370.60	3.65	-48.25
CCN(C(=O)C1=CC(Cl)=CC=C1[O-])[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031289876	1	41	-1.0	-50.92	365.45	3.32	-47.60
CCN(C(=O)C1=CC([O-])=CC(C#N)=C1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031289905	1	42	-1.0	-46.35	365.59	2.17	-44.18
CCN(C(=O)C1=CC=C(N)C(Cl)=C1[O-])[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031289924	0	43	-1.0	-59.70	379.28	0.81	-58.89
CCN(C(=O)C1=C(Cl)C(=O)[N-]S1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031291978	0	37	-1.0	-50.58	340.63	0.06	-50.52
CCN(C(=O)C1=CN=C(N)[N-]C1=O)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031291994	1	41	-1.0	-51.58	353.76	-0.40	-51.98
CCN(C(=O)C1=C(C)C=C(C#N)C(=O)[N-]1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292022	0	44	-1.0	-44.20	378.18	3.02	-41.18
CCN(C(=O)C1=CC=C(F)C([O-])=C1F)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292037	0	41	-1.0	-61.34	363.42	2.16	-59.18
CCN(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292093	1	42	-1.0	-49.00	370.82	2.04	-46.96
CCN(C(=O)C1=CC(=O)[N-]C(OC)=N1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292099	0	43	-1.0	-51.65	355.58	-1.44	-53.09
CCN(C(=O)C1=CC=C2N[N-]N=C2C1=O)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292101	0	43	-1.0	-49.09	369.93	1.09	-48.00
CCN(C(=O)C1=NC=CC(Cl)=C1[O-])[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292109	0	40	-1.0	-53.74	356.82	3.64	-50.10
CCN(C(=O)CC1=CC=C([O-])C(Cl)=C1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292115	1	44	-1.0	-58.67	389.01	3.48	-55.19
CCN(C(=O)C1=CC=C(Cl)C([O-])=C1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292148	0	41	-1.0	-52.52	360.69	2.36	-50.16
CCN(C(=O)C1=CC=NC=C1[O-])[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292158	0	40	-1.0	-53.68	343.91	0.90	-52.78
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292165	0	37	-1.0	-51.96	320.45	-0.44	-52.40
CCN(C(=O)C1=NC([O-])=C(C)S1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292193	1	40	-1.0	-52.71	352.12	0.93	-51.78
CCN(C(=O)C(=O)C1=CC=C([O-])C=C1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292296	1	43	-1.0	-50.58	371.62	2.53	-48.05
CCN(C(=O)C1=CN=C(C=N[O-])S1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292323	0	40	-1.0	-63.58	356.86	0.13	-63.45
CCN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292349	1	40	-1.0	-43.92	355.09	3.55	-40.37
CCN(C(=O)C1=CN=C(SC)[N-]C1=O)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292372	1	43	-1.0	-55.64	383.72	0.26	-55.38
CCN(C(=O)C1=CC(=O)NC([O-])=C1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292378	0	41	-1.0	-46.88	345.46	-2.12	-49.00
CCN(C(=O)C1=CC(=O)N(CC)[N-]1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292446	0	44	-1.0	-50.17	369.81	2.35	-47.82
CCN(C(=O)C1=CC(=O)N(C)[N-]1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292463	0	41	-1.0	-49.74	349.42	1.41	-48.33
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292477	0	41	-1.0	-51.84	368.29	-1.40	-53.24
CCN(C(=O)CC1=CC(=O)N[N-]1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292615	1	41	-1.0	-55.17	352.01	-0.64	-55.81
CCN(C(=O)C1=CC=C([O-])C(F)=C1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292621	1	41	-1.0	-53.53	350.87	1.90	-51.63
CCN(C(=O)C1=CC(F)=C([O-])C(F)=C1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292669	0	41	-1.0	-53.08	357.08	1.99	-51.09
CCN(C(=O)C1=CC=NC(Cl)=C1[O-])[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292674	0	40	-1.0	-56.13	348.99	2.29	-53.84
CCN(C(=O)CC1=C(C)[N-]N(C)C1=O)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292691	0	47	-1.0	-53.81	392.49	2.28	-51.53
CCN(C(=O)C1=NC=C(C)C=C1[O-])[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292732	1	43	-1.0	-58.78	361.76	3.78	-55.00
CCN(C(=O)C1=CC([O-])=CS1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292758	0	38	-1.0	-60.33	334.08	0.58	-59.75
CCN(C(=O)C1=CN([O-])C(=O)C=C1)[C@H](C)CNC(=O)C1=NSNC1=O	REAL300031292775	0	41	-1.0	-59.16	358.68	2.57	-56.59
CN(C[C@H]1CCCCN1C(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031294176	0	43	-1.0	-62.81	354.29	-0.98	-63.79
CN(C[C@H]1CCCCN1C(=O)CN1C(=O)[N-]NC1=O)C(=O)C1=NSNC1=O	REAL300031294218	0	45	-1.0	-65.35	370.16	0.43	-64.92
CN(C[C@H]1CCCCN1C(=O)C1=CN([O-])C(=O)C=C1)C(=O)C1=NSNC1=O	REAL300031294501	0	45	-1.0	-71.53	366.36	4.80	-66.73
CN(C[C@H]1CCCCN1C(=O)C1=CC(=O)NC([O-])=C1)C(=O)C1=NSNC1=O	REAL300031294565	0	45	-1.0	-55.84	365.66	-0.20	-56.04
CN(C[C@H]1CCCCN1C(=O)C1=COC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031294576	1	41	-1.0	-54.65	338.02	1.43	-53.22
CCN1[N-]C(C(=O)N2CCCC[C@@H]2CN(C)C(=O)C2=NSNC2=O)=CC1=O	REAL300031294669	0	48	-1.0	-60.43	387.26	3.98	-56.45
CN(C[C@H]1CCCCN1C(=O)CC1=CC(=O)N[N-]1)C(=O)C1=NSNC1=O	REAL300031294675	1	45	-1.0	-68.18	365.36	1.56	-66.62
CN(C[C@H]1CCCCN1C(=O)C1=NN(C)C(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031294691	0	44	-1.0	-62.52	359.35	1.44	-61.08
CN(C[C@H]1CCCCN1C(=O)C1=C[N-]N=CC1=O)C(=O)C1=NSNC1=O	REAL300031294735	0	43	-1.0	-53.34	348.74	2.80	-50.54
CN(C[C@H]1CCCCN1C(=O)C1=CC(=O)N[N-]1)C(=O)C1=NSNC1=O	REAL300031294786	0	42	-1.0	-55.45	342.13	1.24	-54.21
CN(C[C@H]1CCCCN1C(=O)C(=O)[PH](C)(C)[O-])C(=O)C1=NSNC1=O	REAL300031294790	0	47	-1.0	-56.81	378.33	3.51	-53.30
CN(C[C@H]1CCCCN1C(=O)CCC1=NNC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031294807	0	47	-1.0	-58.93	381.87	1.24	-57.69
CN(C[C@H]1CCCCN1C(=O)C1=CC=CN([O-])C1=O)C(=O)C1=NSNC1=O	REAL300031294809	0	45	-1.0	-76.90	365.40	4.66	-72.24
CC1SC(C(=O)N2CCCC[C@@H]2CN(C)C(=O)C2=NSNC2=O)=NC1=O	REAL300031294827	0	44	-1.0	-59.98	368.85	2.08	-57.90
CC1=C([O-])N=C(C(=O)N2CCCC[C@@H]2CN(C)C(=O)C2=NSNC2=O)S1	REAL300031294827	1	44	-1.0	-59.98	368.85	2.08	-57.90
CN(C[C@H]1CCCCN1C(=O)C1=CC(=O)N([O-])C=C1)C(=O)C1=NSNC1=O	REAL300031294838	0	45	-1.0	-71.86	366.64	4.79	-67.07
CN(C[C@H]1CCCCN1C(=O)C1=CC=CC(=O)N1[O-])C(=O)C1=NSNC1=O	REAL300031294857	0	45	-1.0	-94.15	363.81	5.38	-88.77
CN(C[C@H]1CCCCN1C(=O)CC1=NC([O-])=CS1)C(=O)C1=NSNC1=O	REAL300031294941	0	44	-1.0	-79.92	370.43	0.88	-79.04
CC1=CC(=O)C(C(=O)N2CCCC[C@@H]2CN(C)C(=O)C2=NSNC2=O)=N[N-]1	REAL300031295060	0	46	-1.0	-60.55	372.51	4.89	-55.66
CN(C[C@H]1CCCCN1C(=O)C1=NC(=O)N[N-]1)C(=O)C1=NSNC1=O	REAL300031295068	0	41	-1.0	-54.76	337.49	0.75	-54.01
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=NC=CC=C1[O-]	REAL300031295384	1	44	-1.0	-72.83	354.80	4.88	-67.95
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=NNC(=O)[N-]C1=O	REAL300031295473	0	43	-1.0	-61.22	353.79	-1.04	-62.26
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)CN1C(=O)[N-]NC1=O	REAL300031295560	0	45	-1.0	-65.78	370.67	0.37	-65.41
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=COC(=O)[N-]1	REAL300031296356	1	41	-1.0	-55.47	337.52	1.15	-54.32
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C=C1F	REAL300031296418	1	45	-1.0	-61.40	363.26	4.10	-57.30
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC([O-])=CC(=O)O1	REAL300031296421	0	44	-1.0	-56.07	361.07	3.28	-52.79
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CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)CCC1=NC(=O)[N-]N1	REAL300031296469	1	47	-1.0	-64.13	379.52	0.46	-63.67
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=C[N-]N=CC1=O	REAL300031296478	0	43	-1.0	-52.70	354.94	3.19	-49.51
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CC(F)=C1[O-]	REAL300031296485	0	45	-1.0	-79.68	362.82	5.56	-74.12
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CC([O-])=C1F	REAL300031296540	1	45	-1.0	-74.85	363.12	4.10	-70.75
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N[N-]1	REAL300031296605	0	42	-1.0	-57.88	340.55	0.94	-56.94
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C(=O)[PH](C)(C)[O-]	REAL300031296610	0	47	-1.0	-57.85	377.02	2.71	-55.14
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N([O-])C=C1	REAL300031296656	0	45	-1.0	-74.31	364.22	4.54	-69.77
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)N[N-]1	REAL300031296671	0	41	-1.0	-54.68	337.56	0.44	-54.24
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CN([O-])C1=O	REAL300031296675	0	45	-1.0	-60.64	370.39	4.06	-56.58
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(F)=CC=C1O	REAL300031296772	0	45	-1.0	-67.77	365.33	5.32	-62.45
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(F)=CC=C1[O-]	REAL300031296772	1	45	-1.0	-67.77	365.33	5.32	-62.45
CC1=CC=NC(C(=O)N(C)C[C@H]2CCCCN2C(=O)C2=NSNC2=O)=C1O	REAL300031296813	0	47	-1.0	-72.70	374.77	5.51	-67.19
CC1=CC=NC(C(=O)N(C)C[C@H]2CCCCN2C(=O)C2=NSNC2=O)=C1[O-]	REAL300031296813	1	47	-1.0	-72.70	374.77	5.51	-67.19
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CN=CC(O)=C1	REAL300031296868	0	44	-1.0	-64.96	352.58	2.05	-62.91
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CN=CC([O-])=C1	REAL300031296868	1	44	-1.0	-64.96	352.58	2.05	-62.91
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)CC1=NC([O-])=CS1	REAL300031296947	0	44	-1.0	-78.60	371.80	0.76	-77.84
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=C([O-])C=CC=C1F	REAL300031296958	1	45	-1.0	-70.25	372.24	4.30	-65.95
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C(F)C=C1[O-]	REAL300031296959	0	45	-1.0	-73.39	362.99	5.56	-67.83
CC1=CC(=O)C(C(=O)N(C)C[C@H]2CCCCN2C(=O)C2=NSNC2=O)=N[N-]1	REAL300031297043	0	46	-1.0	-61.31	370.98	4.84	-56.47
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CC(=O)N1[O-]	REAL300031297058	0	45	-1.0	-69.76	366.11	5.34	-64.42
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=NN(C)C(=O)[N-]1	REAL300031297100	0	44	-1.0	-63.14	360.24	1.30	-61.84
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C(F)C([O-])=C1	REAL300031297215	1	45	-1.0	-72.01	364.52	4.06	-67.95
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300031297262	0	43	-1.0	-51.97	356.41	-0.37	-52.34
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300031297262	1	43	-1.0	-51.97	356.41	-0.37	-52.34
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CN=C(N)NC1=O	REAL300031297297	0	45	-1.0	-57.73	365.31	1.76	-55.97
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CN=C(N)[N-]C1=O	REAL300031297297	1	45	-1.0	-57.73	365.31	1.76	-55.97
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300031297378	0	41	-1.0	-60.24	337.63	1.22	-59.02
CC1SC(C(=O)N(C)C[C@H]2CCCCN2C(=O)C2=NSNC2=O)=NC1=O	REAL300031297393	0	44	-1.0	-59.43	369.75	1.90	-57.53
CC1=C([O-])N=C(C(=O)N(C)C[C@H]2CCCCN2C(=O)C2=NSNC2=O)S1	REAL300031297393	1	44	-1.0	-59.43	369.75	1.90	-57.53
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)NC([O-])=C1	REAL300031297485	0	45	-1.0	-55.03	363.27	-0.50	-55.53
CCN1[N-]C(C(=O)N(C)C[C@H]2CCCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300031297523	0	48	-1.0	-60.42	387.34	3.78	-56.64
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(C)[N-]1	REAL300031297539	0	45	-1.0	-59.50	365.52	2.85	-56.65
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)NN1	REAL300031297617	0	45	-1.0	-68.47	364.68	1.33	-67.14
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300031297617	1	45	-1.0	-68.47	364.68	1.33	-67.14
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C(O)C(F)=C1	REAL300031297621	0	45	-1.0	-63.28	364.49	4.09	-59.19
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C(F)=C1	REAL300031297621	1	45	-1.0	-63.28	364.49	4.09	-59.19
CC1=CN=C(C(=O)N(C)C[C@H]2CCCCN2C(=O)C2=NSNC2=O)C(O)=C1	REAL300031297677	0	47	-1.0	-76.24	374.17	5.33	-70.91
CC1=CN=C(C(=O)N(C)C[C@H]2CCCCN2C(=O)C2=NSNC2=O)C([O-])=C1	REAL300031297677	1	47	-1.0	-76.24	374.17	5.33	-70.91
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC([O-])=CS1	REAL300031297689	0	42	-1.0	-68.80	349.84	2.83	-65.97
CN(C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CN([O-])C(=O)C=C1	REAL300031297700	0	45	-1.0	-74.26	362.10	4.32	-69.94
CN(C[C@H]1CCCCN1C(=O)C1=CC(=O)N(C)[N-]1)C(=O)C1=NSNC1=O	REAL300031297783	0	45	-1.0	-59.74	365.71	3.04	-56.70
CN(C[C@H]1CCCCN1C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)C1=NSNC1=O	REAL300031297851	0	43	-1.0	-55.38	355.11	-1.04	-56.42
CN(C[C@H]1CCCCN1C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031297851	1	43	-1.0	-53.91	359.20	-0.86	-54.77
CN(C[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NSNC1=O	REAL300031297940	0	41	-1.0	-59.06	337.89	1.28	-57.78
O=C(NCCC1=CCN(C(=O)C2=NSNC2=O)CC1)C1=NNC(=O)[N-]C1=O	REAL300031298741	0	41	-1.0	-58.18	364.39	-2.32	-60.50
O=C(CN1C(=O)[N-]NC1=O)NCCC1=CCN(C(=O)C2=NSNC2=O)CC1	REAL300031298792	0	43	-1.0	-59.28	378.51	-0.66	-59.94
O=C(NCCC1=CCN(C(=O)C2=NSNC2=O)CC1)C1=CN([O-])C(=O)C=C1	REAL300031299172	0	43	-1.0	-71.97	375.47	3.81	-68.16
O=C(NCCC1=CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)NC([O-])=C1	REAL300031299251	0	43	-1.0	-52.60	375.93	-1.09	-53.69
O=C(NCCC1=CCN(C(=O)C2=NSNC2=O)CC1)C1=COC(=O)[N-]1	REAL300031299262	1	39	-1.0	-52.48	348.00	-1.25	-53.73
CCN1[N-]C(C(=O)NCCC2=CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031299379	0	46	-1.0	-56.29	397.38	2.38	-53.91
O=C(CC1=CC(=O)N[N-]1)NCCC1=CCN(C(=O)C2=NSNC2=O)CC1	REAL300031299386	1	43	-1.0	-62.98	373.48	0.37	-62.61
CN1N=C(C(=O)NCCC2=CCN(C(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300031299409	0	42	-1.0	-59.30	370.08	-0.05	-59.35
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C[PH](C)([O-])C(=O)C(=O)NCCC1=CCN(C(=O)C2=NSNC2=O)CC1	REAL300031299536	0	45	-1.0	-52.11	385.65	1.06	-51.05
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CC1SC(C(=O)NCCC2=CCN(C(=O)C3=NSNC3=O)CC2)=NC1=O	REAL300031299581	0	42	-1.0	-58.55	379.37	-0.13	-58.68
CC1=C([O-])N=C(C(=O)NCCC2=CCN(C(=O)C3=NSNC3=O)CC2)S1	REAL300031299581	1	42	-1.0	-58.55	379.37	-0.13	-58.68
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CN1[N-]C(C(=O)NCC2CC3CCC2N(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031323576	0	46	-1.0	-56.80	380.12	1.70	-55.10
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CN1[N-]C(C(=O)N2CC3CCC2C(CNC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031323725	0	46	-1.0	-57.28	380.13	1.61	-55.67
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CC1CN(C(=O)C2=NNC(=O)[N-]C2=O)CCC1CNC(=O)C1=NSNC1=O	REAL300031324566	0	43	-1.0	-60.34	365.44	-2.69	-63.03
CC1CN(C(=O)CN2C(=O)[N-]NC2=O)CCC1CNC(=O)C1=NSNC1=O	REAL300031324615	0	45	-1.0	-62.02	382.45	-1.18	-63.20
CC1CN(C(=O)C2=CN([O-])C(=O)C=C2)CCC1CNC(=O)C1=NSNC1=O	REAL300031324961	0	45	-1.0	-64.62	383.98	3.16	-61.46
CC1CN(C(=O)C2=CC(=O)NC([O-])=C2)CCC1CNC(=O)C1=NSNC1=O	REAL300031325036	0	45	-1.0	-52.61	384.08	-1.75	-54.36
CC1CN(C(=O)C2=COC(=O)[N-]2)CCC1CNC(=O)C1=NSNC1=O	REAL300031325047	1	41	-1.0	-50.96	348.61	-0.40	-51.36
CCN1[N-]C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C(C)C2)=CC1=O	REAL300031325152	0	48	-1.0	-57.09	398.03	2.14	-54.95
CC1CN(C(=O)CC2=CC(=O)N[N-]2)CCC1CNC(=O)C1=NSNC1=O	REAL300031325159	1	45	-1.0	-64.12	377.41	-0.10	-64.22
CC1CN(C(=O)C2=NN(C)C(=O)[N-]2)CCC1CNC(=O)C1=NSNC1=O	REAL300031325178	0	44	-1.0	-60.71	371.02	-0.33	-61.04
CC1CN(C(=O)C2=C[N-]N=CC2=O)CCC1CNC(=O)C1=NSNC1=O	REAL300031325230	0	43	-1.0	-46.98	357.25	1.25	-45.73
CC1CN(C(=O)C2=CC(=O)N[N-]2)CCC1CNC(=O)C1=NSNC1=O	REAL300031325288	0	42	-1.0	-53.97	349.65	-0.20	-54.17
CC1CN(C(=O)C(=O)[PH](C)(C)[O-])CCC1CNC(=O)C1=NSNC1=O	REAL300031325293	0	47	-1.0	-51.87	384.13	1.17	-50.70
CC1CN(C(=O)C2=CC=CN([O-])C2=O)CCC1CNC(=O)C1=NSNC1=O	REAL300031325313	0	45	-1.0	-63.24	377.47	2.97	-60.27
CC1SC(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C(C)C2)=NC1=O	REAL300031325332	0	44	-1.0	-55.86	380.72	0.30	-55.56
CC1=C([O-])N=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C(C)C2)S1	REAL300031325332	1	44	-1.0	-55.86	380.72	0.30	-55.56
CC1CN(C(=O)C2=CC(=O)N([O-])C=C2)CCC1CNC(=O)C1=NSNC1=O	REAL300031325347	0	45	-1.0	-66.13	380.19	3.44	-62.69
CC1CN(C(=O)C2=CC=CC(=O)N2[O-])CCC1CNC(=O)C1=NSNC1=O	REAL300031325369	0	45	-1.0	-73.88	379.20	3.21	-70.67
CC1CN(C(=O)CC2=NC([O-])=CS2)CCC1CNC(=O)C1=NSNC1=O	REAL300031325471	0	44	-1.0	-76.27	383.29	-0.82	-77.09
CC1=CC(=O)C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C(C)C2)=N[N-]1	REAL300031325610	0	46	-1.0	-57.37	378.59	3.46	-53.91
CC1CN(C(=O)C2=NNC(=O)[N-]2)CCC1CNC(=O)C1=NSNC1=O	REAL300031325620	0	41	-1.0	-57.59	348.19	-1.99	-59.58
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=NC=CC=C1O	REAL300031325955	0	44	-1.0	-64.85	366.03	2.93	-61.92
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=NC=CC=C1[O-]	REAL300031325955	1	44	-1.0	-64.85	366.03	2.93	-61.92
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300031326044	0	43	-1.0	-56.83	365.28	-2.60	-59.43
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)CN1C(=O)[N-]NC1=O	REAL300031326131	0	45	-1.0	-58.38	376.07	-0.76	-59.14
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=COC(=O)[N-]1	REAL300031326927	1	41	-1.0	-49.05	348.89	-1.54	-50.59
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC=C([O-])C=C1F	REAL300031326989	1	45	-1.0	-57.03	375.22	3.06	-53.97
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC([O-])=CC(=O)O1	REAL300031326992	0	44	-1.0	-51.79	374.04	2.22	-49.57
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)CCC1=NC(=O)[N-]N1	REAL300031327040	1	47	-1.0	-62.31	386.32	-0.68	-62.99
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=C[N-]N=CC1=O	REAL300031327049	0	43	-1.0	-41.85	357.94	1.60	-40.25
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC=CC(F)=C1[O-]	REAL300031327056	0	45	-1.0	-71.32	374.77	4.66	-66.66
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC=CC([O-])=C1F	REAL300031327111	1	45	-1.0	-69.54	375.09	3.04	-66.50
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC(=O)N[N-]1	REAL300031327176	0	42	-1.0	-50.52	350.40	-0.35	-50.87
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C(=O)[PH](C)(C)[O-]	REAL300031327181	0	47	-1.0	-49.15	383.88	1.23	-47.92
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300031327227	0	45	-1.0	-71.45	373.41	3.72	-67.73
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=NC(=O)N[N-]1	REAL300031327242	0	41	-1.0	-49.75	348.57	-1.81	-51.56
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC=CN([O-])C1=O	REAL300031327246	0	45	-1.0	-57.13	373.89	3.69	-53.44
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC(F)=CC=C1O	REAL300031327343	0	45	-1.0	-61.95	371.21	4.97	-56.98
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC(F)=CC=C1[O-]	REAL300031327343	1	45	-1.0	-61.95	371.21	4.97	-56.98
CC1=CC=NC(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2C)=C1O	REAL300031327384	0	47	-1.0	-64.46	386.35	3.62	-60.84
CC1=CC=NC(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2C)=C1[O-]	REAL300031327384	1	47	-1.0	-64.46	386.35	3.62	-60.84
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CN=CC(O)=C1	REAL300031327439	0	44	-1.0	-59.91	361.98	1.49	-58.42
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CN=CC([O-])=C1	REAL300031327439	1	44	-1.0	-59.91	361.98	1.49	-58.42
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)CC1=NC([O-])=CS1	REAL300031327518	0	44	-1.0	-74.98	376.49	-0.32	-75.30
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=C(O)C=CC=C1F	REAL300031327529	0	45	-1.0	-58.53	380.70	2.97	-55.56
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=C([O-])C=CC=C1F	REAL300031327529	1	45	-1.0	-58.53	380.70	2.97	-55.56
CC1=CC(=O)C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2C)=N[N-]1	REAL300031327614	0	46	-1.0	-53.71	382.44	3.25	-50.46
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300031327629	0	45	-1.0	-85.84	369.83	4.80	-81.04
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=NN(C)C(=O)[N-]1	REAL300031327671	0	44	-1.0	-57.18	367.65	-0.15	-57.33
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC=C(F)C(O)=C1	REAL300031327786	0	45	-1.0	-66.43	373.60	3.22	-63.21
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC=C(F)C([O-])=C1	REAL300031327786	1	45	-1.0	-66.43	373.60	3.22	-63.21
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300031327833	0	43	-1.0	-52.56	366.84	-3.61	-56.17
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300031327833	1	43	-1.0	-46.75	364.17	-2.66	-49.41
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CN=C(N)[N-]C1=O	REAL300031327868	1	45	-1.0	-47.76	372.48	0.36	-47.40
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC=NC=C1[O-]	REAL300031327944	1	44	-1.0	-64.99	363.83	2.78	-62.21
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300031327949	0	41	-1.0	-55.07	348.46	-0.07	-55.14
CC1=C([O-])N=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2C)S1	REAL300031327964	1	44	-1.0	-54.93	380.52	-0.40	-55.33
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300031328056	0	45	-1.0	-50.31	376.82	-1.38	-51.69
CCN1[N-]C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2C)=CC1=O	REAL300031328094	0	48	-1.0	-54.17	398.27	2.09	-52.08
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC(=O)N(C)[N-]1	REAL300031328110	0	45	-1.0	-53.44	376.54	1.16	-52.28
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)CC1=CC(=O)N[N-]1	REAL300031328188	1	45	-1.0	-63.59	370.64	0.39	-63.20
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC=C([O-])C(F)=C1	REAL300031328192	1	45	-1.0	-58.84	373.57	3.26	-55.58
CC1=CN=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2C)C([O-])=C1	REAL300031328248	1	47	-1.0	-64.59	383.89	3.73	-60.86
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC([O-])=CS1	REAL300031328260	0	42	-1.0	-62.86	359.20	2.21	-60.65
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300031328271	0	45	-1.0	-72.24	372.61	3.83	-68.41
CC1CN(C(=O)C2=CC(=O)N(C)[N-]2)CCC1CNC(=O)C1=NSNC1=O	REAL300031328362	0	45	-1.0	-56.38	376.46	1.23	-55.15
CC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCC1CNC(=O)C1=NSNC1=O	REAL300031328447	0	43	-1.0	-51.86	367.33	-3.17	-55.03
CC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCC1CNC(=O)C1=NSNC1=O	REAL300031328447	1	43	-1.0	-51.86	367.33	-3.17	-55.03
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=NSNC1=O	REAL300031328548	0	41	-1.0	-59.27	348.66	-0.40	-59.67
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=NNC(=O)[N-]C3=O)[C@@H]2C1	REAL300031330616	0	38	-1.0	-55.74	330.92	-2.22	-57.96
O=C(CN1C(=O)[N-]NC1=O)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031330691	0	40	-1.0	-55.13	347.90	-0.71	-55.84
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CN([O-])C(=O)C=C3)[C@@H]2C1	REAL300031331215	0	40	-1.0	-66.79	349.71	3.58	-63.21
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)NC([O-])=C3)[C@@H]2C1	REAL300031331315	0	40	-1.0	-49.40	351.12	-1.08	-50.48
O=C(C1=COC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031331326	1	36	-1.0	-50.48	315.06	-0.06	-50.54
CCN1[N-]C(C(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)=CC1=O	REAL300031331480	0	43	-1.0	-54.70	364.47	2.49	-52.21
O=C(CC1=CC(=O)N[N-]1)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031331487	1	40	-1.0	-55.52	343.06	0.36	-55.16
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CC=CC(=S)N3[O-])[C@@H]2C1	REAL300031331502	0	40	-1.0	-73.33	360.52	4.05	-69.28
O=C(CC1SC(=O)[N-]C1=O)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031331511	0	40	-1.0	-50.46	355.42	-1.17	-51.63
CN1N=C(C(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)[N-]C1=O	REAL300031331524	0	39	-1.0	-58.43	336.74	0.08	-58.35
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=C[N-]N=CC3=O)[C@@H]2C1	REAL300031331605	0	38	-1.0	-52.07	332.53	1.39	-50.68
O=C(C1=CC(=O)N[N-]1)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031331697	0	37	-1.0	-52.36	319.12	-0.11	-52.47
C[PH](C)([O-])C(=O)C(=O)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031331701	0	42	-1.0	-50.06	358.22	1.04	-49.02
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CC=CN([O-])C3=O)[C@@H]2C1	REAL300031331731	0	40	-1.0	-77.34	348.80	3.54	-73.80
CC1SC(C(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)=NC1=O	REAL300031331757	0	39	-1.0	-60.21	346.27	0.53	-59.68
CC1=C([O-])N=C(C(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)S1	REAL300031331757	1	39	-1.0	-60.21	346.27	0.53	-59.68
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)C=C(Cl)N3)[C@@H]2C1	REAL300031331769	0	39	-1.0	-47.89	349.79	3.40	-44.49
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)[C@@H]2C1	REAL300031331769	1	39	-1.0	-47.89	349.79	3.40	-44.49
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)N([O-])C=C3)[C@@H]2C1	REAL300031331783	0	40	-1.0	-65.57	351.04	3.82	-61.75
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CC=CC(=O)N3[O-])[C@@H]2C1	REAL300031331814	0	40	-1.0	-70.63	349.41	3.41	-67.22
NC1=NC([O-])=C(CC(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)S1	REAL300031331925	0	41	-1.0	-64.43	363.72	-1.22	-65.65
O=C(CC1=NC([O-])=CS1)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031331965	0	39	-1.0	-65.85	348.91	-0.35	-66.20
CCC1=NC=C(C(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)C(=O)[N-]1	REAL300031331979	1	44	-1.0	-55.34	370.63	1.71	-53.63
O=C(CN1N=CC(=O)[N-]C1=O)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031331988	0	41	-1.0	-60.38	358.63	-1.89	-62.27
CC1=CC(=O)C(C(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)=N[N-]1	REAL300031332179	0	41	-1.0	-52.41	348.55	3.85	-48.56
O=C(C1=NC(=O)N[N-]1)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031332192	0	36	-1.0	-48.13	314.31	-0.70	-48.83
O=C(C1=CN=C(C=N[O-])S1)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031332285	0	39	-1.0	-65.76	353.18	0.88	-64.88
COC1=NC(C(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)=CC(=O)[N-]1	REAL300031332299	0	42	-1.0	-56.99	357.61	-1.56	-58.55
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=NC=CC=C3[O-])C[C@H]21	REAL300031332552	1	39	-1.0	-74.07	326.88	3.43	-70.64
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=NNC(=O)[N-]C3=O)C[C@H]21	REAL300031332679	0	38	-1.0	-66.41	326.46	-2.33	-68.74
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300031332851	0	40	-1.0	-66.91	343.94	-0.92	-67.83
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC(Cl)=CC=C3[O-])C[C@H]21	REAL300031334272	1	40	-1.0	-74.21	347.30	4.48	-69.73
N#CC1=CC([O-])=CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)[C@@H]3C2)=C1	REAL300031334297	1	41	-1.0	-61.98	357.30	3.24	-58.74
CCC1=NC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)[C@@H]3C2)C(=O)[N-]1	REAL300031334385	1	44	-1.0	-74.49	372.26	1.69	-72.80
O=C(C1=COC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300031334404	1	36	-1.0	-69.78	310.32	-0.46	-70.24
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300031334474	0	39	-1.0	-59.62	352.33	-0.48	-60.10
NC1=NC([O-])=C(CC(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)[C@@H]3C2)S1	REAL300031334475	0	41	-1.0	-76.10	364.73	-1.25	-77.35
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=C(F)C=C([O-])C=C3F)C[C@H]21	REAL300031334485	0	40	-1.0	-59.90	356.28	3.14	-56.76
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C=C3F)C[C@H]21	REAL300031334500	1	40	-1.0	-62.75	341.92	2.83	-59.92
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC([O-])=CC(=O)O3)C[C@H]21	REAL300031334506	0	39	-1.0	-65.79	337.83	2.16	-63.63
N#CC1=CC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)[C@@H]3C2)C=C1[O-]	REAL300031334513	1	41	-1.0	-71.00	351.61	3.06	-67.94
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC(Cl)=NC=C3[O-])C[C@H]21	REAL300031334516	0	39	-1.0	-71.26	342.75	2.50	-68.76
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300031334534	0	41	-1.0	-70.42	353.98	-2.02	-72.44
CC1=CC=C([O-])C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)[C@@H]3C2)=N1	REAL300031334597	1	42	-1.0	-70.61	352.87	4.11	-66.50
O=C(CCC1=NC(=O)[N-]N1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300031334599	1	42	-1.0	-68.66	360.90	-0.44	-69.10
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=C[N-]N=CC3=O)C[C@H]21	REAL300031334615	0	38	-1.0	-60.90	333.55	1.52	-59.38
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=CC(F)=C3[O-])C[C@H]21	REAL300031334624	0	40	-1.0	-81.41	336.76	3.99	-77.42
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=CC([O-])=C3F)C[C@H]21	REAL300031334720	1	40	-1.0	-79.11	337.05	2.69	-76.42
O=C(C1=CC(=O)N[N-]1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300031334828	0	37	-1.0	-61.52	319.61	-0.19	-61.71
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300031334834	0	42	-1.0	-63.76	349.01	0.81	-62.95
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)N([O-])C=C3)C[C@H]21	REAL300031334930	0	40	-1.0	-76.48	345.85	3.48	-73.00
O=C(C1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300031334955	0	36	-1.0	-68.67	309.69	-1.76	-70.43
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=C([O-])C=CC=C3Cl)C[C@H]21	REAL300031334958	1	40	-1.0	-67.55	357.34	3.44	-64.11
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=CN([O-])C3=O)C[C@H]21	REAL300031334962	0	40	-1.0	-76.19	352.38	3.83	-72.36
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=C(F)C=CC([O-])=C3F)C[C@H]21	REAL300031334991	1	40	-1.0	-67.07	351.74	2.97	-64.10
NC1=CC(=O)[N-]C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)[C@@H]3C2)=N1	REAL300031335078	0	40	-1.0	-70.64	338.90	-0.59	-71.23
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C(Cl)=C3)C[C@H]21	REAL300031335130	0	40	-1.0	-66.83	348.04	3.18	-63.65
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC(F)=CC=C3[O-])C[C@H]21	REAL300031335135	1	40	-1.0	-73.97	336.99	4.02	-69.95
CC1=CC=NC(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)[C@@H]3C2)=C1[O-]	REAL300031335200	1	42	-1.0	-69.90	352.06	4.24	-65.66
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CN=CC([O-])=C3)C[C@H]21	REAL300031335315	1	39	-1.0	-68.04	326.98	0.83	-67.21
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=CC(=S)N3[O-])C[C@H]21	REAL300031335325	0	40	-1.0	-79.51	356.03	3.87	-75.64
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C(Cl)=N3)C[C@H]21	REAL300031335437	0	39	-1.0	-60.23	349.57	2.34	-57.89
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C=C3Cl)C[C@H]21	REAL300031335479	1	40	-1.0	-62.38	350.67	3.26	-59.12
O=C(CC1=NC([O-])=CS1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300031335490	0	39	-1.0	-71.17	351.08	-0.21	-71.38
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=C([O-])C=CC=C3F)C[C@H]21	REAL300031335505	0	40	-1.0	-69.39	347.85	3.06	-66.33
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300031335507	0	42	-1.0	-64.05	362.90	0.16	-63.89
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C(F)C=C3[O-])C[C@H]21	REAL300031335508	0	40	-1.0	-65.87	341.68	3.82	-62.05
CC1=CC=C(F)C([O-])=C1C(=O)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300031335545	0	43	-1.0	-71.94	364.73	3.59	-68.35
O=C(CC1SC(=O)[N-]C1=O)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300031335614	0	40	-1.0	-60.27	351.88	-1.29	-61.56
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C(F)=C3F)C[C@H]21	REAL300031335639	0	40	-1.0	-70.90	344.69	2.80	-68.10
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=CC(Cl)=C3[O-])C[C@H]21	REAL300031335646	0	40	-1.0	-75.93	346.57	4.46	-71.47
CC1=CC(=O)C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)[C@@H]3C2)=N[N-]1	REAL300031335675	0	41	-1.0	-66.01	348.23	3.80	-62.21
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=CC(=O)N3[O-])C[C@H]21	REAL300031335700	0	40	-1.0	-79.37	344.93	3.26	-76.11
N#CC1=CC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)[C@@H]3C2)C(=O)[N-]1	REAL300031335730	0	40	-1.0	-69.38	357.17	1.19	-68.19
CN1N=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)[C@@H]3C2)[N-]C1=O	REAL300031335779	0	39	-1.0	-71.18	332.51	-0.10	-71.28
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=C(F)C=CC(O)=C3O)C[C@H]21	REAL300031335832	0	41	-1.0	-75.65	356.11	1.06	-74.59
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=C(F)C=CC(O)=C3[O-])C[C@H]21	REAL300031335832	1	41	-1.0	-75.65	356.11	1.06	-74.59
N#CC1=CC=C([O-])C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)[C@@H]3C2)=C1	REAL300031335841	0	41	-1.0	-70.46	352.80	4.32	-66.14
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CN([O-])C(=O)NC3=O)C[C@H]21	REAL300031335935	0	40	-1.0	-68.89	350.17	0.85	-68.04
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C(F)C([O-])=C3)C[C@H]21	REAL300031335988	1	40	-1.0	-72.68	338.27	2.66	-70.02
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C(Cl)C=C3[O-])C[C@H]21	REAL300031336007	1	40	-1.0	-66.07	351.99	4.27	-61.80
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C[C@H]21	REAL300031336077	0	38	-1.0	-60.77	332.71	-1.83	-62.60
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C[C@H]21	REAL300031336077	1	38	-1.0	-60.77	332.71	-1.83	-62.60
NC1=NC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)[C@@H]3C2)C(=O)N1	REAL300031336137	0	40	-1.0	-74.68	345.61	0.04	-74.64
NC1=NC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)[C@@H]3C2)C(=O)[N-]1	REAL300031336137	1	40	-1.0	-74.68	345.61	0.04	-74.64
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=NC=CC(Cl)=C3[O-])C[C@H]21	REAL300031336227	0	39	-1.0	-65.59	347.47	4.04	-61.55
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300031336280	0	36	-1.0	-66.18	314.70	0.01	-66.17
CC1SC(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)[C@@H]3C2)=NC1=O	REAL300031336303	0	39	-1.0	-74.58	346.93	0.43	-74.15
CC1=C([O-])N=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)[C@@H]3C2)S1	REAL300031336303	1	39	-1.0	-74.58	346.93	0.43	-74.15
O=C(C(=O)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2C1)C1=CC=C(O)C=C1	REAL300031336397	0	42	-1.0	-63.11	355.34	2.94	-60.17
O=C(C(=O)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2C1)C1=CC=C([O-])C=C1	REAL300031336397	1	42	-1.0	-63.11	355.34	2.94	-60.17
O=C(C1=CN=C(C=N[O-])S1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300031336418	0	39	-1.0	-74.11	348.25	0.79	-73.32
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)C=C(Cl)N3)C[C@H]21	REAL300031336442	0	39	-1.0	-57.69	349.45	3.53	-54.16
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C[C@H]21	REAL300031336442	1	39	-1.0	-57.69	349.45	3.53	-54.16
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)NC([O-])=C3)C[C@H]21	REAL300031336464	0	40	-1.0	-65.49	345.82	-1.43	-66.92
CCN1[N-]C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)[C@@H]3C2)=CC1=O	REAL300031336525	0	43	-1.0	-64.09	364.15	2.45	-61.64
CN1[N-]C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)[C@@H]3C2)=CC1=O	REAL300031336546	0	40	-1.0	-63.52	342.43	1.52	-62.00
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300031336556	0	40	-1.0	-61.44	359.31	-0.47	-61.91
O=C(CC1=CC(=O)NN1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300031336692	0	40	-1.0	-62.37	345.24	0.51	-61.86
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300031336692	1	40	-1.0	-62.37	345.24	0.51	-61.86
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C(O)C(F)=C3)C[C@H]21	REAL300031336697	0	40	-1.0	-70.81	338.25	2.69	-68.12
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C(F)=C3)C[C@H]21	REAL300031336697	1	40	-1.0	-70.81	338.25	2.69	-68.12
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC(F)=C([O-])C(F)=C3)C[C@H]21	REAL300031336744	0	40	-1.0	-69.74	343.56	2.77	-66.97
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=NC(Cl)=C3[O-])C[C@H]21	REAL300031336749	0	39	-1.0	-75.86	343.46	2.49	-73.37
CC1=CN=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)[C@@H]3C2)C(O)=C1	REAL300031336800	0	42	-1.0	-75.66	348.32	4.08	-71.58
CC1=CN=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)[C@@H]3C2)C([O-])=C1	REAL300031336800	1	42	-1.0	-75.66	348.32	4.08	-71.58
O=C(C1=CC([O-])=CS1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300031336823	0	37	-1.0	-73.60	322.04	1.63	-71.97
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CN([O-])C(=O)C=C3)C[C@H]21	REAL300031336839	0	40	-1.0	-74.10	345.53	3.46	-70.64
CN1[N-]C(C(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)=CC1=O	REAL300031336989	0	40	-1.0	-54.92	342.12	1.60	-53.32
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031336996	0	40	-1.0	-55.58	360.01	-0.47	-56.05
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=NC(=O)[N-]C(=O)N3)[C@@H]2C1	REAL300031337133	0	38	-1.0	-53.40	332.93	-2.37	-55.77
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=NC(=O)NC(=O)[N-]3)[C@@H]2C1	REAL300031337133	1	38	-1.0	-46.66	333.52	-1.60	-48.26
O=C(CN1[N-]C(=O)C=CC1=O)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031337264	0	42	-1.0	-55.93	363.99	0.25	-55.68
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031337271	0	36	-1.0	-54.90	314.91	0.21	-54.69
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CN([O-])C(=O)NC3=O)[C@@H]2C1	REAL300031337282	0	40	-1.0	-56.38	353.92	0.91	-55.47
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=CN=C(C2CC2)[N-]C1=O	REAL300031337788	1	42	-1.0	-56.33	370.54	-2.69	-59.02
O=C(CCCN1C(=O)[N-]NC1=O)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O	REAL300031338397	0	43	-1.0	-67.67	382.67	-5.02	-72.69
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O	REAL300031338599	0	41	-1.0	-63.44	369.69	-7.65	-71.09
CC(=O)[N-]C1=NC(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2O)=CS1	REAL300031338600	1	39	-1.0	-54.17	364.00	-4.16	-58.33
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O	REAL300031338742	1	42	-1.0	-67.03	375.43	-3.50	-70.53
COC1=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2O)NC(=O)[N-]C1=O	REAL300031338847	1	40	-1.0	-63.14	359.85	-6.57	-69.71
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=NNC(=O)[N-]C1=O	REAL300031338951	0	35	-1.0	-63.43	325.34	-7.77	-71.20
O=C(CC1=NC([O-])=CS1)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O	REAL300031341003	0	36	-1.0	-83.35	340.90	-5.87	-89.22
CCC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2O)C(=O)[N-]1	REAL300031341028	1	41	-1.0	-55.24	359.47	-3.28	-58.52
O=C(CN1N=CC(=O)[N-]C1=O)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O	REAL300031341040	0	38	-1.0	-71.57	349.81	-7.24	-78.81
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=C(Cl)C(=O)[N-]S1	REAL300031341115	0	33	-1.0	-59.43	331.44	-4.42	-63.85
COCC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2O)C(=O)N1	REAL300031341219	0	42	-1.0	-56.29	372.40	-5.04	-61.33
COCC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2O)C(=O)[N-]1	REAL300031341219	1	42	-1.0	-56.29	372.40	-5.04	-61.33
CC1=CC(=O)C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2O)=N[N-]1	REAL300031341318	0	38	-1.0	-61.90	342.54	-1.91	-63.81
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=NNC(=O)[N-]1	REAL300031341336	0	33	-1.0	-63.03	309.01	-7.27	-70.30
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300031341361	0	38	-1.0	-57.74	350.97	-2.68	-60.42
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300031341361	1	38	-1.0	-57.74	350.97	-2.68	-60.42
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=CN=C(C=N[O-])S1	REAL300031341495	0	36	-1.0	-72.63	349.90	-4.22	-76.85
O=C(N[C@@H]1CN(C(=O)C2=NC=CC=C2O)C[C@H]1O)C1=NSNC1=O	REAL300031341776	0	36	-1.0	-73.90	326.30	-2.17	-76.07
O=C(N[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300031341776	1	36	-1.0	-73.90	326.30	-2.17	-76.07
O=C(CCN1C=CNC(=O)C1=O)N1C[C@@H](O)[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031341890	0	42	-1.0	-63.71	378.72	-3.79	-67.50
O=C(CCN1C=C[N-]C(=O)C1=O)N1C[C@@H](O)[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031341890	1	42	-1.0	-63.71	378.72	-3.79	-67.50
CC(=O)NC1=NC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=NSNC3=O)C2)=CS1	REAL300031341902	0	39	-1.0	-49.75	363.93	-3.95	-53.70
CC(=O)[N-]C1=NC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=NSNC3=O)C2)=CS1	REAL300031341902	1	39	-1.0	-49.75	363.93	-3.95	-53.70
O=C(N[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@H]1O)C1=NSNC1=O	REAL300031341930	0	35	-1.0	-64.59	325.92	-7.93	-72.52
COC1=C(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031341981	1	40	-1.0	-58.58	359.52	-6.65	-65.23
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H](O)[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031342145	0	37	-1.0	-66.37	343.50	-6.42	-72.79
O=C(CCCN1C(=O)[N-]NC1=O)N1C[C@@H](O)[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031343087	0	43	-1.0	-63.35	385.20	-5.20	-68.55
O=C(N[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@H]1O)C1=NSNC1=O	REAL300031343280	1	42	-1.0	-71.79	380.03	-3.23	-75.02
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@H]1O)C1=NSNC1=O	REAL300031344963	0	37	-1.0	-68.86	344.59	-2.04	-70.90
O=C(N[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1O)C1=NSNC1=O	REAL300031344997	0	33	-1.0	-55.73	309.45	-6.70	-62.43
O=C(N[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2Cl)C[C@H]1O)C1=NSNC1=O	REAL300031345002	1	37	-1.0	-70.71	354.12	-2.17	-72.88
O=C(N[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@H]1O)C1=NSNC1=O	REAL300031345010	0	37	-1.0	-83.79	338.86	-1.74	-85.53
O=C(N[C@@H]1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C[C@H]1O)C1=NSNC1=O	REAL300031345043	1	37	-1.0	-65.81	351.00	-2.57	-68.38
NC1=CC(=O)[N-]C(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=NSNC3=O)C2)=N1	REAL300031345156	0	37	-1.0	-64.58	337.80	-6.09	-70.67
O=C(N[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C[C@H]1O)C1=NSNC1=O	REAL300031345225	0	37	-1.0	-57.67	344.52	-2.40	-60.07
O=C(N[C@@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300031345232	1	37	-1.0	-63.12	337.10	-1.50	-64.62
CC1=CC=NC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300031345321	1	39	-1.0	-72.76	346.48	-1.44	-74.20
O=C(N[C@@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@H]1O)C1=NSNC1=O	REAL300031345486	1	36	-1.0	-60.73	323.83	-4.81	-65.54
O=C(N[C@@H]1CN(C(=O)C2=CC=CC(=S)N2[O-])C[C@H]1O)C1=NSNC1=O	REAL300031345499	0	37	-1.0	-93.81	355.46	-1.65	-95.46
NC1=CC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=NSNC3=O)C2)=CC([O-])=C1Cl	REAL300031345648	1	39	-1.0	-60.79	357.44	-4.47	-65.26
O=C(N[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C[C@H]1O)C1=NSNC1=O	REAL300031345653	0	36	-1.0	-53.54	344.53	-3.35	-56.89
O=C(N[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2Cl)C[C@H]1O)C1=NSNC1=O	REAL300031345714	1	37	-1.0	-61.82	347.31	-2.33	-64.15
N#CC1=CC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=NSNC3=O)C2)=C([O-])C=C1N	REAL300031345717	0	40	-1.0	-69.74	365.76	-3.52	-73.26
O=C(CC1=NC([O-])=CS1)N1C[C@@H](O)[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031345729	0	36	-1.0	-82.52	344.43	-6.08	-88.60
O=C(N[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2F)C[C@H]1O)C1=NSNC1=O	REAL300031345750	0	37	-1.0	-65.26	344.62	-2.53	-67.79
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@@H](O)[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031345753	0	39	-1.0	-67.38	359.72	-5.43	-72.81
O=C(N[C@@H]1CN(C(=O)C2=CC=C(F)C=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300031345755	0	37	-1.0	-75.73	338.39	-1.74	-77.47
CC1=CC=C(F)C([O-])=C1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031345802	0	40	-1.0	-67.67	364.09	-1.95	-69.62
O=C(CC1SC(=O)[N-]C1=O)N1C[C@@H](O)[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031345888	0	37	-1.0	-60.10	351.69	-6.86	-66.96
O=C(N[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C[C@H]1O)C1=NSNC1=O	REAL300031345919	0	37	-1.0	-66.03	344.71	-2.69	-68.72
O=C(N[C@@H]1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C[C@H]1O)C1=NSNC1=O	REAL300031345922	1	38	-1.0	-50.68	360.21	-4.10	-54.78
O=C(N[C@@H]1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300031345928	0	37	-1.0	-67.70	345.75	-1.01	-68.71
O=C(N[C@@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)C[C@H]1O)C1=NSNC1=O	REAL300031346986	0	36	-1.0	-68.39	347.35	-4.68	-73.07
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C[C@H]1O)C1=NSNC1=O	REAL300031347017	1	36	-1.0	-55.12	344.29	-2.34	-57.46
CSC1=NC=C(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031347042	1	39	-1.0	-68.08	364.31	-3.89	-71.97
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@H]1O)C1=NSNC1=O	REAL300031347049	0	37	-1.0	-56.46	345.30	-6.97	-63.43
CCN1[N-]C(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031347124	0	40	-1.0	-62.02	359.20	-3.23	-65.25
CN1[N-]C(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031347146	0	37	-1.0	-61.18	337.47	-4.17	-65.35
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031347162	0	37	-1.0	-60.04	353.93	-6.13	-66.17
CC1=C(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300031347164	1	39	-1.0	-79.76	366.16	-4.75	-84.51
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H](O)[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031347334	1	37	-1.0	-66.64	337.63	-5.36	-72.00
O=C(N[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@H]1O)C1=NSNC1=O	REAL300031347340	1	37	-1.0	-61.33	334.72	-2.88	-64.21
O=C(N[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C[C@H]1O)C1=NSNC1=O	REAL300031347399	0	37	-1.0	-59.16	342.60	-2.73	-61.89
O=C(N[C@@H]1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300031347405	0	36	-1.0	-73.48	343.14	-3.23	-76.71
CC1=C(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300031347425	0	43	-1.0	-65.64	380.48	-2.95	-68.59
CC1=CN=C(C(=O)N2C[C@@H](O)[C@H](NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300031347471	1	39	-1.0	-70.88	347.10	-1.45	-72.33
O=C(N[C@@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@H]1O)C1=NSNC1=O	REAL300031347502	0	34	-1.0	-70.56	321.26	-3.90	-74.46
O=C(N[C@@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@H]1O)C1=NSNC1=O	REAL300031347523	0	37	-1.0	-69.11	344.58	-2.07	-71.18
CN1[N-]C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2O)=CC1=O	REAL300031347750	0	37	-1.0	-61.93	337.26	-4.07	-66.00
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O	REAL300031347761	0	37	-1.0	-64.65	351.37	-5.96	-70.61
CC1=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2O)C(=S)[N-]C(=O)N1	REAL300031347762	1	39	-1.0	-76.73	363.55	-4.41	-81.14
O=C([N-][C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C(F)(F)C(F)F	REAL300031347891	1	32	-1.0	-54.06	309.48	-3.55	-57.61
O=C(NCC1CN(C(=O)C2=NNC(=O)[N-]C2=O)CCCO1)C1=NSNC1=O	REAL300031348990	0	41	-1.0	-57.09	356.91	-3.79	-60.88
O=C(CN1C(=O)[N-]NC1=O)N1CCCOC(CNC(=O)C2=NSNC2=O)C1	REAL300031349034	0	43	-1.0	-58.86	375.63	-2.46	-61.32
O=C(NCC1CN(C(=O)C2=CN([O-])C(=O)C=C2)CCCO1)C1=NSNC1=O	REAL300031349371	0	43	-1.0	-65.03	377.12	1.88	-63.15
O=C(NCC1CN(C(=O)C2=CC(=O)NC([O-])=C2)CCCO1)C1=NSNC1=O	REAL300031349443	0	43	-1.0	-50.13	377.21	-2.93	-53.06
O=C(NCC1CN(C(=O)C2=COC(=O)[N-]2)CCCO1)C1=NSNC1=O	REAL300031349453	1	39	-1.0	-53.94	341.15	-1.39	-55.33
CCN1[N-]C(C(=O)N2CCCOC(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031349557	0	46	-1.0	-54.67	390.54	0.98	-53.69
O=C(CC1=CC(=O)N[N-]1)N1CCCOC(CNC(=O)C2=NSNC2=O)C1	REAL300031349564	1	43	-1.0	-62.33	370.31	-1.31	-63.64
CN1N=C(C(=O)N2CCCOC(CNC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031349582	0	42	-1.0	-58.28	363.44	-1.49	-59.77
O=C(NCC1CN(C(=O)C2=C[N-]N=CC2=O)CCCO1)C1=NSNC1=O	REAL300031349632	0	41	-1.0	-50.49	360.37	-0.26	-50.75
O=C(NCC1CN(C(=O)C2=CC(=O)N[N-]2)CCCO1)C1=NSNC1=O	REAL300031349687	0	40	-1.0	-52.87	345.75	-1.60	-54.47
C[PH](C)([O-])C(=O)C(=O)N1CCCOC(CNC(=O)C2=NSNC2=O)C1	REAL300031349692	0	45	-1.0	-52.57	384.56	-0.67	-53.24
O=C(NCC1CN(C(=O)C2=CC=CN([O-])C2=O)CCCO1)C1=NSNC1=O	REAL300031349712	0	43	-1.0	-73.88	376.54	1.87	-72.01
CC1SC(C(=O)N2CCCOC(CNC(=O)C3=NSNC3=O)C2)=NC1=O	REAL300031349729	0	42	-1.0	-61.01	372.88	-0.72	-61.73
CC1=C([O-])N=C(C(=O)N2CCCOC(CNC(=O)C3=NSNC3=O)C2)S1	REAL300031349729	1	42	-1.0	-61.01	372.88	-0.72	-61.73
O=C(NCC1CN(C(=O)C2=CC(=O)N([O-])C=C2)CCCO1)C1=NSNC1=O	REAL300031349743	0	43	-1.0	-65.60	377.34	1.90	-63.70
O=C(NCC1CN(C(=O)C2=CC=CC(=O)N2[O-])CCCO1)C1=NSNC1=O	REAL300031349763	0	43	-1.0	-76.73	376.46	1.63	-75.10
O=C(CC1=NC([O-])=CS1)N1CCCOC(CNC(=O)C2=NSNC2=O)C1	REAL300031349862	0	42	-1.0	-73.78	376.18	-2.01	-75.79
CC1=CC(=O)C(C(=O)N2CCCOC(CNC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031349998	0	44	-1.0	-55.32	374.10	2.07	-53.25
O=C(NCC1CN(C(=O)C2=NNC(=O)[N-]2)CCCO1)C1=NSNC1=O	REAL300031350007	0	39	-1.0	-56.36	340.70	-3.17	-59.53
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=NC=CC=C1[O-]	REAL300031350336	1	42	-1.0	-57.77	357.71	1.81	-55.96
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=NNC(=O)[N-]C1=O	REAL300031350426	0	41	-1.0	-52.67	357.22	-3.71	-56.38
O=C(CN1C(=O)[N-]NC1=O)NCC1CN(C(=O)C2=NSNC2=O)CCCO1	REAL300031350507	0	43	-1.0	-52.24	371.34	-2.05	-54.29
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=COC(=O)[N-]1	REAL300031351271	1	39	-1.0	-49.85	340.83	-2.64	-52.49
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=CC=C([O-])C=C1F	REAL300031351332	1	43	-1.0	-52.97	367.16	1.96	-51.01
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=CC([O-])=CC(=O)O1	REAL300031351335	0	42	-1.0	-51.10	365.98	1.11	-49.99
O=C(CCC1=NC(=O)[N-]N1)NCC1CN(C(=O)C2=NSNC2=O)CCCO1	REAL300031351380	1	45	-1.0	-61.09	380.42	-1.80	-62.89
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=C[N-]N=CC1=O	REAL300031351389	0	41	-1.0	-41.86	349.88	0.52	-41.34
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=CC=CC(F)=C1[O-]	REAL300031351396	0	43	-1.0	-62.70	366.70	3.57	-59.13
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=CC=CC([O-])=C1F	REAL300031351447	1	43	-1.0	-62.60	367.03	1.94	-60.66
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=CC(=O)N[N-]1	REAL300031351508	0	40	-1.0	-48.59	345.66	-1.66	-50.25
C[PH](C)([O-])C(=O)C(=O)NCC1CN(C(=O)C2=NSNC2=O)CCCO1	REAL300031351513	0	45	-1.0	-46.68	383.03	-0.16	-46.84
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=CC(=O)N([O-])C=C1	REAL300031351558	0	43	-1.0	-66.93	368.67	2.41	-64.52
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=NNC(=O)[N-]1	REAL300031351572	0	39	-1.0	-51.77	340.15	-3.10	-54.87
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=CC=CN([O-])C1=O	REAL300031351575	0	43	-1.0	-60.42	365.07	2.70	-57.72
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=CC(F)=CC=C1O	REAL300031351669	0	43	-1.0	-54.51	366.90	3.56	-50.95
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCCO1)C1=CC(F)=CC=C1[O-]	REAL300031351669	1	43	-1.0	-54.51	366.90	3.56	-50.95
CC1=CC=NC(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCCO2)=C1O	REAL300031351709	0	45	-1.0	-57.44	378.03	2.50	-54.94
CC1=CC=NC(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCCO2)=C1[O-]	REAL300031351709	1	45	-1.0	-57.44	378.03	2.50	-54.94
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C[PH](C)([O-])C(=O)C(=O)NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2	REAL300031361628	0	45	-1.0	-55.53	375.35	0.92	-54.61
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CC1=CC=NC(C(=O)NC2CC3CCC2N(C(=O)C2=NSNC2=O)C3)=C1O	REAL300031361848	0	45	-1.0	-67.21	371.99	3.94	-63.27
CC1=CC=NC(C(=O)NC2CC3CCC2N(C(=O)C2=NSNC2=O)C3)=C1[O-]	REAL300031361848	1	45	-1.0	-67.21	371.99	3.94	-63.27
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O=C(CC1=NC([O-])=CS1)NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2	REAL300031362001	0	42	-1.0	-74.21	363.68	-0.48	-74.69
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O=C(NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2)C1=CC=C(F)C=C1[O-]	REAL300031362013	0	43	-1.0	-63.16	360.74	5.03	-58.13
CC1=CC(=O)C(C(=O)NC2CC3CCC2N(C(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300031362107	0	44	-1.0	-59.99	368.37	3.58	-56.41
O=C(NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2)C1=CC=CC(=O)N1[O-]	REAL300031362122	0	43	-1.0	-79.56	359.69	4.87	-74.69
CN1N=C(C(=O)NC2CC3CCC2N(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300031362168	0	42	-1.0	-61.12	357.09	0.02	-61.10
N#CC1=CC=C(C(=O)NC2CC3CCC2N(C(=O)C2=NSNC2=O)C3)C([O-])=C1	REAL300031362201	0	44	-1.0	-60.36	375.12	5.35	-55.01
N#CC1=CC=C([O-])C(C(=O)NC2CC3CCC2N(C(=O)C2=NSNC2=O)C3)=C1	REAL300031362207	0	44	-1.0	-58.72	375.26	5.35	-53.37
O=C(NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2)C1=CC=C(F)C([O-])=C1	REAL300031362297	1	43	-1.0	-63.14	362.81	3.40	-59.74
O=C(NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2)C1=NC(=O)[N-]C(=O)N1	REAL300031362347	0	41	-1.0	-53.49	353.38	-2.50	-55.99
O=C(NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2)C1=NC(=O)NC(=O)[N-]1	REAL300031362347	1	41	-1.0	-53.49	353.38	-2.50	-55.99
NC1=NC=C(C(=O)NC2CC3CCC2N(C(=O)C2=NSNC2=O)C3)C(=O)N1	REAL300031362383	0	43	-1.0	-60.73	358.13	0.69	-60.04
NC1=NC=C(C(=O)NC2CC3CCC2N(C(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300031362383	1	43	-1.0	-60.73	358.13	0.69	-60.04
O=C(NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2)C1=CC=NC=C1O	REAL300031362466	0	42	-1.0	-63.27	349.72	3.11	-60.16
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O=C(NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2)C1=CC(=O)[N-]O1	REAL300031362471	0	39	-1.0	-59.49	334.35	0.31	-59.18
CC1SC(C(=O)NC2CC3CCC2N(C(=O)C2=NSNC2=O)C3)=NC1=O	REAL300031362487	0	42	-1.0	-65.48	366.38	-0.08	-65.56
CC1=C([O-])N=C(C(=O)NC2CC3CCC2N(C(=O)C2=NSNC2=O)C3)S1	REAL300031362487	1	42	-1.0	-65.48	366.38	-0.08	-65.56
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CCN1[N-]C(C(=O)NC2CC3CCC2N(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031362628	0	46	-1.0	-59.22	384.39	2.47	-56.75
CN1[N-]C(C(=O)NC2CC3CCC2N(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031362644	0	43	-1.0	-58.54	362.35	1.52	-57.02
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CC1=CN=C(C(=O)NC2CC3CCC2N(C(=O)C2=NSNC2=O)C3)C(O)=C1	REAL300031362791	0	45	-1.0	-68.73	373.11	3.87	-64.86
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CN1[N-]C(C(=O)N2CC3CCC2C(NC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031362912	0	43	-1.0	-50.97	362.65	1.47	-49.50
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C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CCCN1C(=O)[N-]NC1=O	REAL300031364675	0	45	-1.0	-55.62	391.48	-0.97	-56.59
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CCC1=NNC(=O)[N-]C1=O	REAL300031364891	0	43	-1.0	-55.48	379.06	-3.69	-59.17
CC(=O)[N-]C1=NC(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)=CS1	REAL300031364892	1	41	-1.0	-43.94	373.36	-0.20	-44.14
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300031365050	1	44	-1.0	-61.16	384.97	0.44	-60.72
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C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300031365273	0	37	-1.0	-52.07	335.53	-3.88	-55.95
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CN1C(=O)[N-]NC1=O	REAL300031365390	0	39	-1.0	-53.21	349.58	-2.20	-55.41
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300031366969	0	36	-1.0	-47.06	323.93	-1.82	-48.88
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300031366974	0	41	-1.0	-45.31	358.24	-0.32	-45.63
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CC1=CC(=O)N(C)[N-]1	REAL300031366977	0	42	-1.0	-59.03	367.41	0.57	-58.46
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC=CN([O-])C1=O	REAL300031367023	0	39	-1.0	-57.29	343.60	2.46	-54.83
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CC1=C([O-])N=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)S1	REAL300031367068	1	38	-1.0	-53.59	350.50	-1.70	-55.29
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031367089	1	38	-1.0	-43.97	354.12	1.49	-42.48
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300031367111	0	39	-1.0	-68.19	346.27	2.29	-65.90
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300031367171	0	39	-1.0	-78.85	343.52	3.30	-75.55
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C[N-]C(=O)C(F)(F)F	REAL300031367341	0	38	-1.0	-47.02	353.57	-1.89	-48.91
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CC1=C([O-])N=C(N)S1	REAL300031367342	0	40	-1.0	-62.49	365.35	-2.76	-65.25
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CC1=NC([O-])=CS1	REAL300031367402	0	38	-1.0	-67.51	350.42	-1.87	-69.38
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C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CN1N=CC(=O)[N-]C1=O	REAL300031367439	0	40	-1.0	-57.03	359.93	-3.31	-60.34
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=C(Cl)C(=O)[N-]S1	REAL300031367516	0	35	-1.0	-49.28	340.96	-0.45	-49.73
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COCC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)C(=O)[N-]1	REAL300031367623	1	44	-1.0	-45.19	381.43	-1.01	-46.20
CC1=CC(=O)C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)=N[N-]1	REAL300031367724	0	40	-1.0	-48.86	352.69	1.98	-46.88
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=NNC(=O)[N-]1	REAL300031367743	0	35	-1.0	-50.31	318.43	-3.25	-53.56
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300031367768	0	40	-1.0	-49.26	361.16	1.22	-48.04
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300031367768	1	40	-1.0	-49.26	361.16	1.22	-48.04
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CN=C(C=N[O-])S1	REAL300031367906	0	38	-1.0	-62.94	359.34	-0.24	-63.18
C[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031368185	1	38	-1.0	-66.31	335.64	1.84	-64.47
C[C@@H]1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031368305	1	44	-1.0	-61.43	388.97	0.21	-61.22
CC(=O)[N-]C1=NC(C(=O)N2C[C@@H](C)[C@H](NC(=O)C3=NSNC3=O)C2)=CS1	REAL300031368317	1	41	-1.0	-56.57	373.51	-0.01	-56.58
C[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031368349	0	37	-1.0	-58.23	335.25	-3.93	-62.16
COC1=C(C(=O)N2C[C@@H](C)[C@H](NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031368403	1	42	-1.0	-62.50	368.87	-2.74	-65.24
C[C@@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031368572	0	39	-1.0	-58.15	352.97	-2.43	-60.58
C[C@@H]1CN(C(=O)CCCN2C(=O)[N-]NC2=O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031369562	0	45	-1.0	-59.67	394.71	-1.27	-60.94
C[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031369769	1	44	-1.0	-62.31	389.42	0.79	-61.52
C[C@@H]1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031370622	0	43	-1.0	-58.52	382.40	-4.00	-62.52
C[C@@H]1CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031370632	0	41	-1.0	-61.99	366.04	2.85	-59.14
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CCN1[N-]C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2OC)=CC1=O	REAL300031377698	0	43	-1.0	-59.22	380.32	-0.70	-59.92
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CC1=CC(=O)N[N-]1	REAL300031377705	1	40	-1.0	-67.39	356.52	-2.71	-70.10
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC=CC(=S)N1[O-]	REAL300031377720	0	40	-1.0	-93.96	366.95	2.77	-91.19
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300031377743	0	39	-1.0	-63.72	353.76	-3.24	-66.96
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300031377830	0	38	-1.0	-48.08	339.98	-1.19	-49.27
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300031377922	0	37	-1.0	-56.04	335.92	-3.34	-59.38
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300031377927	0	42	-1.0	-56.17	370.07	-1.84	-58.01
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CCC1=NC(=O)NN1	REAL300031377952	0	42	-1.0	-66.95	372.28	-3.74	-70.69
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CCC1=NC(=O)[N-]N1	REAL300031377952	1	42	-1.0	-66.95	372.28	-3.74	-70.69
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC=CN([O-])C1=O	REAL300031377956	0	40	-1.0	-64.60	356.16	0.88	-63.72
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=NC([O-])=C(C)S1	REAL300031377984	1	39	-1.0	-60.42	362.37	-3.20	-63.62
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031377997	1	39	-1.0	-53.55	366.51	-0.12	-53.67
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300031378014	0	40	-1.0	-74.59	358.82	0.72	-73.87
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300031378045	0	40	-1.0	-89.91	355.84	1.71	-88.20
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C[N-]C(=O)C(F)(F)F	REAL300031378161	0	39	-1.0	-57.30	366.52	-3.53	-60.83
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CC1=NC([O-])=CS1	REAL300031378205	0	39	-1.0	-79.46	362.37	-3.43	-82.89
CCC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2OC)C(=O)[N-]1	REAL300031378223	1	44	-1.0	-53.45	380.93	-0.83	-54.28
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CN1N=CC(=O)[N-]C1=O	REAL300031378231	0	41	-1.0	-69.84	371.87	-4.87	-74.71
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=N[N-]C(C)=CC1=O	REAL300031378427	0	41	-1.0	-60.81	365.10	0.37	-60.44
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300031378440	0	36	-1.0	-55.15	331.01	-4.72	-59.87
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CN=C(C=N[O-])S1	REAL300031378547	0	39	-1.0	-70.25	371.72	-1.83	-72.08
COC1=NC(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2OC)=CC(=O)[N-]1	REAL300031378559	0	42	-1.0	-60.87	376.53	-5.31	-66.18
CO[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031378815	1	39	-1.0	-68.22	347.63	0.28	-67.94
CO[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031378936	0	38	-1.0	-62.87	347.82	-5.55	-68.42
CO[C@@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031379091	0	40	-1.0	-62.00	364.59	-4.06	-66.06
CO[C@@H]1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031380355	1	40	-1.0	-62.24	369.39	1.31	-60.93
CO[C@@H]1CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031380379	1	41	-1.0	-61.46	371.53	-0.24	-61.70
CCC1=NC=C(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@H](OC)C2)C(=O)[N-]1	REAL300031380459	1	44	-1.0	-69.62	391.28	-1.50	-71.12
CO[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031380477	1	36	-1.0	-56.00	331.70	-3.75	-59.75
CO[C@@H]1CN(C(=O)C[N-]C(=O)C(F)(F)F)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031380541	0	39	-1.0	-57.38	370.00	-3.76	-61.14
CO[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2F)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031380562	1	40	-1.0	-62.49	360.70	-0.40	-62.89
CO[C@@H]1CN(C(=O)C2=CC([O-])=CC(=O)O2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031380568	0	39	-1.0	-56.54	356.65	-1.05	-57.59
CO[C@@H]1CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031380574	1	41	-1.0	-53.68	372.39	-0.11	-53.79
CO[C@@H]1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031380577	0	39	-1.0	-58.27	364.52	-0.59	-58.86
CO[C@@H]1CN(C(=O)CN2N=CC(=O)[N-]C2=O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031380592	0	41	-1.0	-71.49	375.82	-5.16	-76.65
CO[C@@H]1CN(C(=O)C2=NC(C)=CC=C2[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031380652	1	42	-1.0	-69.56	369.33	0.87	-68.69
CO[C@@H]1CN(C(=O)CCC2=NC(=O)[N-]N2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031380653	1	42	-1.0	-63.81	374.84	-3.96	-67.77
CO[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031380669	0	38	-1.0	-60.20	350.18	-1.82	-62.02
CO[C@@H]1CN(C(=O)C2=CC=CC(F)=C2[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031380678	0	40	-1.0	-80.15	360.17	0.52	-79.63
CO[C@@H]1CN(C(=O)C2=CC=CC([O-])=C2F)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031380763	1	40	-1.0	-75.73	360.43	-0.40	-76.13
CO[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031380859	0	37	-1.0	-57.48	336.61	-3.50	-60.98
CO[C@@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031380865	0	42	-1.0	-54.94	370.40	-2.17	-57.11
CO[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031380948	0	40	-1.0	-71.33	366.95	0.33	-71.00
CO[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031380971	0	36	-1.0	-55.88	331.40	-4.33	-60.21
CO[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2Cl)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031380973	1	40	-1.0	-65.27	375.56	0.22	-65.05
CO[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031380977	0	40	-1.0	-87.71	366.50	0.28	-87.43
CO[C@@H]1CN(C(=O)C2=NC(N)=CC(=O)[N-]2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381085	0	40	-1.0	-63.17	359.81	-3.74	-66.91
CO[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381128	0	40	-1.0	-53.99	368.19	0.03	-53.96
CO[C@@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381133	1	40	-1.0	-61.66	359.08	0.87	-60.79
CO[C@@H]1CN(C(=O)C2=NC=CC(C)=C2[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381195	1	42	-1.0	-72.03	368.53	0.90	-71.13
CO[C@@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381295	1	39	-1.0	-53.60	347.00	-2.34	-55.94
CO[C@@H]1CN(C(=O)C2=CC=CC(=S)N2[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381304	0	40	-1.0	-92.94	377.29	0.75	-92.19
CO[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381405	0	39	-1.0	-53.17	366.57	-0.96	-54.13
CO[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2Cl)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381440	1	40	-1.0	-60.81	369.43	0.03	-60.78
CO[C@@H]1CN(C(=O)CC2=NC([O-])=CS2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381451	0	39	-1.0	-80.27	366.31	-3.69	-83.96
CO[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2F)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381466	0	40	-1.0	-66.02	366.06	-0.15	-66.17
CO[C@@H]1CN(C(=O)CN2[N-]C(=O)C=CC2=O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381467	0	42	-1.0	-65.47	381.58	-3.06	-68.53
CO[C@@H]1CN(C(=O)C2=CC=C(F)C=C2[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381468	0	40	-1.0	-73.96	360.48	0.46	-73.50
CO[C@@H]1CN(C(=O)C2=C(C)C=CC(F)=C2[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381498	0	43	-1.0	-66.39	385.90	0.41	-65.98
CO[C@@H]1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381586	0	40	-1.0	-74.41	369.98	1.00	-73.41
CO[C@@H]1CN(C(=O)C2=N[N-]C(C)=CC2=O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381614	0	41	-1.0	-62.22	365.06	0.30	-61.92
CO[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381638	0	40	-1.0	-89.01	366.18	0.11	-88.90
CO[C@@H]1CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381662	0	40	-1.0	-51.02	372.20	-2.06	-53.08
CO[C@@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381704	0	39	-1.0	-63.99	353.98	-3.31	-67.30
CO[C@@H]1CN(C(=O)C2=C(F)C=CC(O)=C2O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381750	0	41	-1.0	-67.17	376.80	-2.08	-69.25
CO[C@@H]1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381750	1	41	-1.0	-67.17	376.80	-2.08	-69.25
CO[C@@H]1CN(C(=O)C2=CC(C#N)=CC=C2[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381759	0	41	-1.0	-59.05	373.49	1.25	-57.80
CO[C@@H]1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381839	0	40	-1.0	-61.28	371.61	-2.30	-63.58
CO[C@@H]1CN(C(=O)C2=CC=C(F)C(O)=C2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381890	0	40	-1.0	-65.50	358.44	-0.49	-65.99
CO[C@@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381890	1	40	-1.0	-65.50	358.44	-0.49	-65.99
CO[C@@H]1CN(C(=O)C2=CC=C(Cl)C=C2O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381908	0	40	-1.0	-73.59	370.78	0.92	-72.67
CO[C@@H]1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381908	1	40	-1.0	-73.59	370.78	0.92	-72.67
CO[C@@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381971	0	38	-1.0	-57.16	349.28	-5.97	-63.13
CO[C@@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031381971	1	38	-1.0	-49.67	349.44	-5.12	-54.79
CO[C@@H]1CN(C(=O)C2=CN=C(N)[N-]C2=O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031382025	1	40	-1.0	-70.11	364.65	-3.15	-73.26
COC1=NC(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@H](OC)C2)=CC(=O)[N-]1	REAL300031382097	0	42	-1.0	-62.15	375.25	-4.96	-67.11
CO[C@@H]1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031382106	0	39	-1.0	-68.34	364.40	0.72	-67.62
CO[C@@H]1CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031382144	0	40	-1.0	-53.68	368.21	0.00	-53.68
CO[C@@H]1CN(C(=O)C2=CC=NC=C2[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031382152	0	39	-1.0	-73.61	348.91	-1.44	-75.05
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031382158	0	36	-1.0	-60.38	331.64	-3.31	-63.69
CO[C@@H]1CN(C(=O)C2=NC([O-])=C(C)S2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031382180	1	39	-1.0	-61.19	363.39	-2.88	-64.07
CO[C@@H]1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031382268	1	42	-1.0	-56.50	373.58	-0.28	-56.78
CO[C@@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031382285	0	39	-1.0	-70.25	369.33	-2.34	-72.59
CO[C@@H]1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031382304	1	39	-1.0	-50.71	365.61	0.11	-50.60
CO[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031382324	0	40	-1.0	-55.52	367.26	-4.59	-60.11
CCN1[N-]C(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@H](OC)C2)=CC1=O	REAL300031382380	0	43	-1.0	-57.70	380.38	-0.79	-58.49
CO[C@@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031382397	0	40	-1.0	-56.89	358.64	-1.72	-58.61
CO[C@@H]1CN(C(=O)CC2=CC(=O)N[N-]2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031382527	1	40	-1.0	-67.95	360.46	-2.97	-70.92
CO[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031382532	1	40	-1.0	-58.99	358.41	-0.45	-59.44
CO[C@@H]1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031382579	0	39	-1.0	-71.86	365.09	-0.84	-72.70
CO[C@@H]1CN(C(=O)CC2=C(C)[N-]N(C)C2=O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031382594	0	46	-1.0	-63.67	402.40	-0.58	-64.25
CO[C@@H]1CN(C(=O)C2=NC=C(C)C=C2[O-])C[C@H]1NC(=O)C1=NSNC1=O	REAL300031382629	1	42	-1.0	-73.45	369.58	0.87	-72.58
CO[C@@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031382648	0	37	-1.0	-68.76	343.24	-1.52	-70.28
CO[C@@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031382664	0	40	-1.0	-68.09	356.29	-0.03	-68.12
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300031382807	0	40	-1.0	-58.83	358.73	-1.63	-60.46
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1[N-]C(=O)C(F)(F)C(F)F	REAL300031382899	1	35	-1.0	-41.54	332.05	-1.26	-42.80
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300031382958	0	38	-1.0	-57.12	349.47	-6.46	-63.58
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300031382958	1	38	-1.0	-52.50	350.20	-5.74	-58.24
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300031383094	0	42	-1.0	-64.54	377.65	-2.76	-67.30
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300031383101	0	36	-1.0	-59.63	330.58	-2.85	-62.48
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300031383112	0	40	-1.0	-56.35	361.42	-1.64	-57.99
C[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031383622	1	44	-1.0	-62.31	389.42	0.79	-61.52
C[C@@H]1CN(C(=O)CC2=NC([O-])=CS2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031386988	0	38	-1.0	-69.41	353.80	-2.06	-71.47
CCC1=NC=C(C(=O)N2C[C@@H](C)[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031387013	1	43	-1.0	-60.24	378.80	0.14	-60.10
C[C@@H]1CN(C(=O)CN2N=CC(=O)[N-]C2=O)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031387025	0	40	-1.0	-62.78	362.50	-3.62	-66.40
C[C@@H]1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031387102	0	35	-1.0	-56.75	339.29	-1.02	-57.77
COCC1=NC=C(C(=O)N2C[C@@H](C)[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300031387209	0	44	-1.0	-61.11	391.73	-1.62	-62.73
COCC1=NC=C(C(=O)N2C[C@@H](C)[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031387209	1	44	-1.0	-61.11	391.73	-1.62	-62.73
CC1=CC(=O)C(C(=O)N2C[C@@H](C)[C@H](NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031387310	0	40	-1.0	-59.32	352.56	1.93	-57.39
C[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031387329	0	35	-1.0	-57.19	318.82	-2.70	-59.89
C[C@@H]1CN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031387354	0	40	-1.0	-55.84	358.37	0.49	-55.35
C[C@@H]1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031387354	1	40	-1.0	-55.84	358.37	0.49	-55.35
C[C@@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300031387492	0	38	-1.0	-66.47	356.82	-0.74	-67.21
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=NC=CC=C1O	REAL300031387771	0	38	-1.0	-57.17	336.02	1.63	-55.54
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=NC=CC=C1[O-]	REAL300031387771	1	38	-1.0	-57.17	336.02	1.63	-55.54
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CCN1C=CNC(=O)C1=O	REAL300031387891	0	44	-1.0	-61.16	384.97	0.44	-60.72
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300031387891	1	44	-1.0	-61.16	384.97	0.44	-60.72
CC(=O)NC1=NC(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)=CS1	REAL300031387903	0	41	-1.0	-43.94	373.36	-0.20	-44.14
CC(=O)[N-]C1=NC(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)=CS1	REAL300031387903	1	41	-1.0	-43.94	373.36	-0.20	-44.14
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300031387935	0	37	-1.0	-52.07	335.53	-3.88	-55.95
COC1=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)NC(=O)[N-]C1=O	REAL300031387989	1	42	-1.0	-53.85	368.58	-2.53	-56.38
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CN1C(=O)[N-]NC1=O	REAL300031388158	0	39	-1.0	-53.21	349.58	-2.20	-55.41
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CCCN1C(=O)[N-]NC1=O	REAL300031389148	0	45	-1.0	-55.62	391.48	-0.97	-56.59
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300031389355	1	44	-1.0	-46.02	379.98	1.34	-44.68
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300031390980	0	36	-1.0	-47.06	323.93	-1.82	-48.88
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300031390988	0	41	-1.0	-45.31	358.24	-0.32	-45.63
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CC1=CC(=O)N(C)[N-]1	REAL300031390993	0	42	-1.0	-59.03	367.41	0.57	-58.46
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(N)=C(F)C([O-])=C1F	REAL300031391046	0	41	-1.0	-64.74	365.62	-0.25	-64.99
COCC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)C(=O)[N-]1	REAL300031391054	1	44	-1.0	-45.19	381.43	-1.01	-46.20
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(F)=CC(F)=C1[O-]	REAL300031391084	0	39	-1.0	-56.64	350.72	3.50	-53.14
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300031391114	0	39	-1.0	-68.19	346.27	2.29	-65.90
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300031391149	0	35	-1.0	-46.65	318.54	-3.08	-49.73
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=C([O-])C=CC=C1Cl	REAL300031391154	1	39	-1.0	-50.06	360.14	2.07	-47.99
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC=CN([O-])C1=O	REAL300031391162	0	39	-1.0	-57.29	343.60	2.46	-54.83
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=C(F)C=CC([O-])=C1F	REAL300031391199	1	39	-1.0	-50.49	357.05	1.63	-48.86
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=NC(N)=CC(=O)[N-]1	REAL300031391317	0	39	-1.0	-56.14	347.43	-2.32	-58.46
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300031391387	0	39	-1.0	-50.09	356.22	2.33	-47.76
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(F)=CC=C1[O-]	REAL300031391394	1	39	-1.0	-55.10	344.67	3.43	-51.67
CC1=CC=NC(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)=C1[O-]	REAL300031391486	1	41	-1.0	-56.95	355.71	2.35	-54.60
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CN=CC([O-])=C1	REAL300031391657	1	38	-1.0	-54.28	335.97	-0.09	-54.37
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC=CC(=S)N1[O-]	REAL300031391670	0	39	-1.0	-83.48	354.64	4.33	-79.15
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300031391826	1	41	-1.0	-49.82	368.94	0.24	-49.58
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC=C([O-])C(Cl)=N1	REAL300031391831	0	38	-1.0	-45.26	353.60	0.52	-44.74
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC=C([O-])C=C1Cl	REAL300031391893	1	39	-1.0	-52.18	352.91	2.28	-49.90
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300031391896	0	42	-1.0	-53.97	372.50	1.59	-52.38
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CC1=NC([O-])=CS1	REAL300031391908	0	38	-1.0	-67.51	350.42	-1.87	-69.38
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=C([O-])C=CC=C1F	REAL300031391930	1	39	-1.0	-50.61	350.65	1.69	-48.92
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300031391933	0	41	-1.0	-54.81	365.13	-1.20	-56.01
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC=C(F)C=C1[O-]	REAL300031391935	0	39	-1.0	-59.03	344.65	3.44	-55.59
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC=C(Cl)C([O-])=C1	REAL300031392990	0	39	-1.0	-48.17	356.26	2.29	-45.88
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC=NC=C1[O-]	REAL300031393001	1	38	-1.0	-58.73	333.54	1.56	-57.17
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300031393011	0	35	-1.0	-52.02	318.71	-1.32	-53.34
CC1=C([O-])N=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)S1	REAL300031393046	1	38	-1.0	-53.59	350.50	-1.70	-55.29
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300031393116	1	45	-1.0	-62.19	383.19	5.71	-56.48
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300031393124	1	45	-1.0	-66.50	384.20	5.65	-60.85
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C(=O)C1=CC=C([O-])C=C1	REAL300031393174	1	41	-1.0	-52.47	360.61	1.62	-50.85
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CN=C(C=N[O-])S1	REAL300031393211	0	38	-1.0	-62.94	359.34	-0.24	-63.18
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031393246	1	38	-1.0	-43.97	354.12	1.49	-42.48
CSC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)C(=O)[N-]1	REAL300031393272	1	41	-1.0	-44.99	369.75	0.28	-44.71
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300031393280	0	39	-1.0	-47.28	347.06	-2.66	-49.94
CCN1[N-]C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)=CC1=O	REAL300031393362	0	42	-1.0	-50.08	368.48	0.83	-49.25
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300031393384	0	39	-1.0	-49.45	346.78	-0.09	-49.54
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300031393401	0	39	-1.0	-54.38	360.89	-1.96	-56.34
CC1=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)C(=S)[N-]C(=O)N1	REAL300031393403	1	41	-1.0	-59.40	375.36	-0.64	-60.04
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CC1=CC(=O)N[N-]1	REAL300031393579	1	39	-1.0	-58.02	343.92	-1.12	-59.14
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300031393585	1	39	-1.0	-53.81	346.43	1.84	-51.97
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300031393647	0	39	-1.0	-54.44	353.31	1.88	-52.56
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC=NC(Cl)=C1[O-]	REAL300031393653	0	38	-1.0	-57.35	349.72	2.02	-55.33
CC1=C(CC(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)C(=O)N(C)[N-]1	REAL300031393673	0	45	-1.0	-58.03	387.38	1.25	-56.78
CC1=CN=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)C([O-])=C1	REAL300031393722	1	41	-1.0	-58.44	357.44	2.26	-56.18
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=C(O)C=CC(Cl)=C1[O-]	REAL300031393736	0	40	-1.0	-52.50	371.14	-0.64	-53.14
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC([O-])=CS1	REAL300031393756	0	36	-1.0	-58.08	332.47	0.69	-57.39
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300031393778	0	39	-1.0	-67.54	345.90	2.32	-65.22
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1O)C1=CN=C(C2CC2)[N-]C1=O	REAL300031395027	1	42	-1.0	-59.13	369.03	-2.42	-61.55
O=C(CCCN1C(=O)[N-]NC1=O)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1O	REAL300031395636	0	43	-1.0	-65.56	380.85	-4.73	-70.29
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1O	REAL300031395838	0	41	-1.0	-63.75	367.96	-7.35	-71.10
CC(=O)[N-]C1=NC(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2O)=CS1	REAL300031395839	1	39	-1.0	-57.18	362.30	-3.88	-61.06
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1O	REAL300031395981	1	42	-1.0	-66.76	373.71	-3.21	-69.97
COC1=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2O)NC(=O)[N-]C1=O	REAL300031396086	1	40	-1.0	-61.62	358.15	-6.20	-67.82
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1O)C1=NNC(=O)[N-]C1=O	REAL300031396190	0	35	-1.0	-63.52	324.38	-7.48	-71.00
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1O	REAL300031396303	0	37	-1.0	-67.39	337.81	-5.84	-73.23
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1O)C1=CC(=O)N([O-])C=C1	REAL300031397959	0	37	-1.0	-77.69	335.18	-1.40	-79.09
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1O)C1=CC=CC(=O)N1[O-]	REAL300031398017	0	37	-1.0	-92.08	332.25	-0.38	-92.46
O=C(C[N-]C(=O)C(F)(F)F)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1O	REAL300031398183	0	36	-1.0	-59.91	342.30	-5.56	-65.47
NC1=NC([O-])=C(CC(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2O)S1	REAL300031398184	0	38	-1.0	-82.88	353.50	-6.40	-89.28
O=C(CC1=NC([O-])=CS1)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1O	REAL300031398242	0	36	-1.0	-82.70	338.69	-5.54	-88.24
CCC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2O)C(=O)[N-]1	REAL300031398267	1	41	-1.0	-58.03	357.94	-3.03	-61.06
O=C(CN1N=CC(=O)[N-]C1=O)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1O	REAL300031398279	0	38	-1.0	-73.60	348.20	-6.97	-80.57
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1O)C1=C(Cl)C(=O)[N-]S1	REAL300031398354	0	33	-1.0	-60.84	330.29	-4.24	-65.08
COCC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2O)C(=O)N1	REAL300031398458	0	42	-1.0	-58.98	370.87	-4.79	-63.77
COCC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2O)C(=O)[N-]1	REAL300031398458	1	42	-1.0	-58.98	370.87	-4.79	-63.77
CC1=CC(=O)C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2O)=N[N-]1	REAL300031398557	0	38	-1.0	-62.33	341.54	-1.63	-63.96
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1O)C1=NNC(=O)[N-]1	REAL300031398575	0	33	-1.0	-64.06	306.67	-6.91	-70.97
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300031398600	0	38	-1.0	-59.19	349.99	-2.52	-61.71
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300031398600	1	38	-1.0	-59.19	349.99	-2.52	-61.71
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1O)C1=CN=C(C=N[O-])S1	REAL300031398734	0	36	-1.0	-72.92	347.55	-3.87	-76.79
O=C(N[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@@H]1O)C1=NSNC1=O	REAL300031399015	1	36	-1.0	-68.04	325.34	-1.85	-69.89
O=C(CCN1C=C[N-]C(=O)C1=O)N1C[C@@H](NC(=O)C2=NSNC2=O)[C@@H](O)C1	REAL300031399129	1	42	-1.0	-67.09	376.97	-3.52	-70.61
CC(=O)[N-]C1=NC(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](O)C2)=CS1	REAL300031399141	1	39	-1.0	-50.04	362.21	-3.68	-53.72
O=C(N[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@@H]1O)C1=NSNC1=O	REAL300031399169	0	35	-1.0	-62.72	323.63	-7.60	-70.32
COC1=C(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](O)C2)NC(=O)[N-]C1=O	REAL300031399220	1	40	-1.0	-56.95	356.83	-6.34	-63.29
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H](NC(=O)C2=NSNC2=O)[C@@H](O)C1	REAL300031399384	0	37	-1.0	-64.87	340.97	-6.16	-71.03
O=C(CCCN1C(=O)[N-]NC1=O)N1C[C@@H](NC(=O)C2=NSNC2=O)[C@@H](O)C1	REAL300031400326	0	43	-1.0	-62.63	384.23	-4.91	-67.54
O=C(N[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@@H]1O)C1=NSNC1=O	REAL300031400519	1	42	-1.0	-64.73	379.37	-2.96	-67.69
O=C(N[C@@H]1CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C[C@@H]1O)C1=NSNC1=O	REAL300031402006	0	39	-1.0	-70.66	353.11	-0.91	-71.57
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@@H]1O)C1=NSNC1=O	REAL300031402072	0	34	-1.0	-56.41	312.77	-5.60	-62.01
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H](NC(=O)C2=NSNC2=O)[C@@H](O)C1	REAL300031402080	0	39	-1.0	-54.68	352.39	-4.45	-59.13
CN1[N-]C(CC(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](O)C2)=CC1=O	REAL300031402085	0	40	-1.0	-67.89	359.54	-3.35	-71.24
COCC1=NC=C(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](O)C2)C(=O)[N-]1	REAL300031402144	1	42	-1.0	-60.45	380.86	-5.31	-65.76
O=C(N[C@@H]1CN(C(=O)C2=CC(F)=CC(F)=C2[O-])C[C@@H]1O)C1=NSNC1=O	REAL300031402172	0	37	-1.0	-64.01	342.34	-1.12	-65.13
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@@H]1O)C1=NSNC1=O	REAL300031402202	0	37	-1.0	-67.79	343.57	-1.77	-69.56
O=C(N[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@@H]1O)C1=NSNC1=O	REAL300031402236	0	33	-1.0	-50.76	308.47	-6.39	-57.15
O=C(N[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2Cl)C[C@@H]1O)C1=NSNC1=O	REAL300031402241	1	37	-1.0	-60.14	353.16	-1.84	-61.98
O=C(N[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@@H]1O)C1=NSNC1=O	REAL300031402249	0	37	-1.0	-77.28	343.30	-1.82	-79.10
O=C(N[C@@H]1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C[C@@H]1O)C1=NSNC1=O	REAL300031402282	1	37	-1.0	-61.03	349.20	-2.28	-63.31
NC1=CC(=O)[N-]C(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](O)C2)=N1	REAL300031402395	0	37	-1.0	-67.36	336.72	-5.89	-73.25
O=C(N[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C[C@@H]1O)C1=NSNC1=O	REAL300031402464	0	37	-1.0	-56.94	343.83	-2.12	-59.06
O=C(N[C@@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])C[C@@H]1O)C1=NSNC1=O	REAL300031402471	1	37	-1.0	-62.51	337.58	-1.45	-63.96
CC1=CC=NC(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](O)C2)=C1[O-]	REAL300031402560	1	39	-1.0	-72.70	344.82	-1.21	-73.91
O=C(N[C@@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@@H]1O)C1=NSNC1=O	REAL300031402725	1	36	-1.0	-61.18	322.06	-4.53	-65.71
O=C(N[C@@H]1CN(C(=O)C2=CC=CC(=S)N2[O-])C[C@@H]1O)C1=NSNC1=O	REAL300031402738	0	37	-1.0	-80.07	353.34	-1.41	-81.48
NC1=CC(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](O)C2)=CC([O-])=C1Cl	REAL300031402887	1	39	-1.0	-52.65	356.56	-4.22	-56.87
O=C(N[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C[C@@H]1O)C1=NSNC1=O	REAL300031402892	0	36	-1.0	-51.52	342.72	-3.07	-54.59
O=C(N[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2Cl)C[C@@H]1O)C1=NSNC1=O	REAL300031402953	1	37	-1.0	-55.66	345.01	-2.07	-57.73
N#CC1=CC(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](O)C2)=C([O-])C=C1N	REAL300031402956	0	40	-1.0	-62.04	364.81	-3.24	-65.28
COC1=NC(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](O)C2)=CC(=O)[N-]1	REAL300031403958	0	39	-1.0	-61.53	350.15	-7.02	-68.55
O=C(N[C@@H]1CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C[C@@H]1O)C1=NSNC1=O	REAL300031403960	0	39	-1.0	-59.63	357.86	-3.84	-63.47
O=C(N[C@@H]1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C[C@@H]1O)C1=NSNC1=O	REAL300031403973	0	36	-1.0	-64.27	341.51	-1.34	-65.61
O=C(CC1=CC=C([O-])C(Cl)=C1)N1C[C@@H](NC(=O)C2=NSNC2=O)[C@@H](O)C1	REAL300031403979	1	40	-1.0	-71.68	373.76	-0.98	-72.66
O=C(N[C@@H]1CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C[C@@H]1O)C1=NSNC1=O	REAL300031404020	0	37	-1.0	-65.68	343.87	-2.16	-67.84
O=C(N[C@@H]1CN(C(=O)C2=CC=NC=C2[O-])C[C@@H]1O)C1=NSNC1=O	REAL300031404031	0	36	-1.0	-67.02	326.01	-3.49	-70.51
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O)C1=NSNC1=O	REAL300031404041	0	33	-1.0	-56.38	308.78	-5.36	-61.74
CC1=C([O-])N=C(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](O)C2)S1	REAL300031404074	1	36	-1.0	-57.26	339.10	-4.86	-62.12
O=C(N[C@@H]1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C[C@@H]1O)C1=NSNC1=O	REAL300031404191	1	39	-1.0	-59.34	350.46	-2.38	-61.72
O=C(N[C@@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)C[C@@H]1O)C1=NSNC1=O	REAL300031404225	0	36	-1.0	-70.61	345.61	-4.46	-75.07
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C[C@@H]1O)C1=NSNC1=O	REAL300031404256	1	36	-1.0	-49.92	342.69	-1.95	-51.87
CSC1=NC=C(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](O)C2)C(=O)[N-]1	REAL300031404281	1	39	-1.0	-61.22	369.24	-4.06	-65.28
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@@H]1O)C1=NSNC1=O	REAL300031404288	0	37	-1.0	-57.24	333.14	-7.03	-64.27
CCN1[N-]C(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](O)C2)=CC1=O	REAL300031404363	0	40	-1.0	-56.89	358.20	-2.92	-59.81
CN1[N-]C(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](O)C2)=CC1=O	REAL300031404385	0	37	-1.0	-58.90	334.96	-3.82	-62.72
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=NSNC2=O)[C@@H](O)C1	REAL300031404401	0	37	-1.0	-58.84	353.02	-5.85	-64.69
CC1=C(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](O)C2)C(=S)[N-]C(=O)N1	REAL300031404403	1	39	-1.0	-73.49	363.49	-4.54	-78.03
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H](NC(=O)C2=NSNC2=O)[C@@H](O)C1	REAL300031404573	1	37	-1.0	-69.42	336.85	-5.06	-74.48
O=C(N[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@@H]1O)C1=NSNC1=O	REAL300031404579	1	37	-1.0	-61.26	334.03	-2.61	-63.87
O=C(N[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C[C@@H]1O)C1=NSNC1=O	REAL300031404638	0	37	-1.0	-57.66	341.84	-2.45	-60.11
O=C(N[C@@H]1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C[C@@H]1O)C1=NSNC1=O	REAL300031404644	0	36	-1.0	-65.17	340.89	-2.66	-67.83
CC1=C(CC(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](O)C2)C(=O)N(C)[N-]1	REAL300031404664	0	43	-1.0	-69.46	379.58	-2.67	-72.13
CC1=CN=C(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](O)C2)C([O-])=C1	REAL300031404710	1	39	-1.0	-69.43	346.78	-1.22	-70.65
O=C(N[C@@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@@H]1O)C1=NSNC1=O	REAL300031404741	0	34	-1.0	-66.00	320.26	-3.58	-69.58
O=C(N[C@@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@@H]1O)C1=NSNC1=O	REAL300031404762	0	37	-1.0	-64.30	343.75	-1.79	-66.09
O=C(C1=NSNC1=O)N1CC[C@@H]2CCN(C(=O)C3=NNC(=O)[N-]C3=O)C[C@@H]21	REAL300031406303	0	41	-1.0	-71.73	339.14	-1.42	-73.15
O=C(CN1C(=O)[N-]NC1=O)N1CC[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]2C1	REAL300031406354	0	43	-1.0	-72.47	361.99	-0.14	-72.61
O=C(C1=NSNC1=O)N1CC[C@@H]2CCN(C(=O)C3=CN([O-])C(=O)C=C3)C[C@@H]21	REAL300031406734	0	43	-1.0	-80.17	362.89	4.33	-75.84
O=C(C1=NSNC1=O)N1CC[C@@H]2CCN(C(=O)C3=CC(=O)NC([O-])=C3)C[C@@H]21	REAL300031406813	0	43	-1.0	-65.16	363.47	-0.54	-65.70
O=C(C1=NSNC1=O)N1CC[C@@H]2CCN(C(=O)C3=COC(=O)[N-]3)C[C@@H]21	REAL300031406824	1	39	-1.0	-58.59	322.95	0.95	-57.64
CCN1[N-]C(C(=O)N2CC[C@H]3CCN(C(=O)C4=NSNC4=O)[C@H]3C2)=CC1=O	REAL300031406941	0	46	-1.0	-68.95	372.47	3.50	-65.45
O=C(CC1=CC(=O)N[N-]1)N1CC[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]2C1	REAL300031406948	1	43	-1.0	-74.89	356.98	0.93	-73.96
CN1N=C(C(=O)N2CC[C@H]3CCN(C(=O)C4=NSNC4=O)[C@H]3C2)[N-]C1=O	REAL300031406971	0	42	-1.0	-72.61	345.36	1.05	-71.56
O=C(C1=NSNC1=O)N1CC[C@@H]2CCN(C(=O)C3=C[N-]N=CC3=O)C[C@@H]21	REAL300031407028	0	41	-1.0	-65.38	341.65	2.34	-63.04
O=C(C1=NSNC1=O)N1CC[C@@H]2CCN(C(=O)C3=CC(=O)N[N-]3)C[C@@H]21	REAL300031407093	0	40	-1.0	-63.92	328.09	0.71	-63.21
C[PH](C)([O-])C(=O)C(=O)N1CC[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]2C1	REAL300031407098	0	45	-1.0	-67.02	367.12	1.87	-65.15
O=C(CCC1=NC(=O)NN1)N1CC[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]2C1	REAL300031407119	0	45	-1.0	-68.36	372.24	-0.03	-68.39
O=C(CCC1=NC(=O)[N-]N1)N1CC[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]2C1	REAL300031407119	1	45	-1.0	-68.36	372.24	-0.03	-68.39
O=C(C1=NSNC1=O)N1CC[C@@H]2CCN(C(=O)C3=CC=CN([O-])C3=O)C[C@@H]21	REAL300031407122	0	43	-1.0	-73.86	349.90	3.79	-70.07
CC1SC(C(=O)N2CC[C@H]3CCN(C(=O)C4=NSNC4=O)[C@H]3C2)=NC1=O	REAL300031407143	0	42	-1.0	-62.90	354.57	1.66	-61.24
CC1=C([O-])N=C(C(=O)N2CC[C@H]3CCN(C(=O)C4=NSNC4=O)[C@H]3C2)S1	REAL300031407143	1	42	-1.0	-62.90	354.57	1.66	-61.24
O=C(C1=NSNC1=O)N1CC[C@@H]2CCN(C(=O)C3=CC(=O)N([O-])C=C3)C[C@@H]21	REAL300031407159	0	43	-1.0	-78.14	354.90	4.53	-73.61
O=C(C1=NSNC1=O)N1CC[C@@H]2CCN(C(=O)C3=CC=CC(=O)N3[O-])C[C@@H]21	REAL300031407184	0	43	-1.0	-88.05	358.12	4.30	-83.75
O=C(CC1=NC([O-])=CS1)N1CC[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]2C1	REAL300031407298	0	42	-1.0	-85.15	362.83	0.21	-84.94
CC1=CC(=O)C(C(=O)N2CC[C@H]3CCN(C(=O)C4=NSNC4=O)[C@H]3C2)=N[N-]1	REAL300031407452	0	44	-1.0	-71.35	356.29	4.45	-66.90
O=C(C1=NSNC1=O)N1CC[C@@H]2CCN(C(=O)C3=NC(=O)N[N-]3)C[C@@H]21	REAL300031407462	0	39	-1.0	-60.77	322.60	0.27	-60.50
O=C(C1=NSNC1=O)N1CC[C@H]2CCN(C(=O)C3=NC=CC=C3O)[C@H]2C1	REAL300031407804	0	42	-1.0	-86.08	339.79	4.25	-81.83
O=C(C1=NSNC1=O)N1CC[C@H]2CCN(C(=O)C3=NC=CC=C3[O-])[C@H]2C1	REAL300031407804	1	42	-1.0	-86.08	339.79	4.25	-81.83
O=C(C1=NSNC1=O)N1CC[C@H]2CCN(C(=O)C3=NNC(=O)[N-]C3=O)[C@H]2C1	REAL300031407897	0	41	-1.0	-75.87	339.37	-1.50	-77.37
O=C(CN1C(=O)[N-]NC1=O)N1CC[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300031407980	0	43	-1.0	-75.71	357.03	0.28	-75.43
N#CC1=CC([O-])=CC(C(=O)N2CC[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)=C1	REAL300031408656	1	44	-1.0	-59.65	365.41	3.85	-55.80
O=C(C1=COC(=O)[N-]1)N1CC[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300031408712	1	39	-1.0	-63.57	323.21	0.58	-62.99
O=C(C1=NSNC1=O)N1CC[C@H]2CCN(C(=O)C3=CC=C([O-])C=C3F)[C@H]2C1	REAL300031408778	1	43	-1.0	-70.01	353.11	4.40	-65.61
O=C(C1=NSNC1=O)N1CC[C@H]2CCN(C(=O)C3=CC([O-])=CC(=O)O3)[C@H]2C1	REAL300031408782	0	42	-1.0	-49.06	353.17	3.08	-45.98
N#CC1=CC=C(C(=O)N2CC[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)C=C1[O-]	REAL300031408784	1	44	-1.0	-49.00	369.83	3.90	-45.10
CC1=CC=C([O-])C(C(=O)N2CC[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)=N1	REAL300031408827	1	45	-1.0	-87.25	361.11	4.91	-82.34
O=C(CCC1=NNC(=O)[N-]1)N1CC[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300031408828	0	45	-1.0	-67.73	367.25	0.93	-66.80
O=C(C1=NSNC1=O)N1CC[C@H]2CCN(C(=O)C3=C[N-]N=CC3=O)[C@H]2C1	REAL300031408838	0	41	-1.0	-46.54	346.29	2.26	-44.28
O=C(C1=NSNC1=O)N1CC[C@H]2CCN(C(=O)C3=CC=CC(F)=C3[O-])[C@H]2C1	REAL300031408843	0	43	-1.0	-86.35	354.78	4.11	-82.24
O=C(C1=NSNC1=O)N1CC[C@H]2CCN(C(=O)C3=CC=CC([O-])=C3F)[C@H]2C1	REAL300031408898	1	43	-1.0	-86.54	352.61	3.59	-82.95
O=C(C1=CC(=O)N[N-]1)N1CC[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300031408959	0	40	-1.0	-47.70	333.00	0.66	-47.04
C[PH](C)([O-])C(=O)C(=O)N1CC[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300031408963	0	45	-1.0	-45.51	371.41	1.79	-43.72
CN1[N-]C(CC(=O)N2CC[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)=CC1=O	REAL300031408966	0	46	-1.0	-79.82	375.42	2.82	-77.00
O=C(C1=CC(=O)N([O-])C=C1)N1CC[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300031409006	0	43	-1.0	-78.30	357.32	5.04	-73.26
O=C(C1=NC(=O)N[N-]1)N1CC[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300031409023	0	39	-1.0	-66.22	323.10	-0.02	-66.24
O=C(C1=CC=CN([O-])C1=O)N1CC[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300031409027	0	43	-1.0	-70.87	362.56	4.40	-66.47
NC1=CC(=O)[N-]C(C(=O)N2CC[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)=N1	REAL300031409095	0	43	-1.0	-56.16	357.03	0.32	-55.84
O=C(C1=NSNC1=O)N1CC[C@H]2CCN(C(=O)C3=CC(F)=CC=C3[O-])[C@H]2C1	REAL300031409120	1	43	-1.0	-52.41	357.26	4.64	-47.77
CC1=CC=NC(C(=O)N2CC[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)=C1[O-]	REAL300031409159	1	45	-1.0	-85.26	359.73	5.00	-80.26
O=C(C1=NSNC1=O)N1CC[C@H]2CCN(C(=O)C3=CN=CC([O-])=C3)[C@H]2C1	REAL300031409215	1	42	-1.0	-64.90	335.41	2.33	-62.57
O=C(CC1=NC([O-])=CS1)N1CC[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300031409298	0	42	-1.0	-85.32	356.18	1.02	-84.30
O=C(C1=NSNC1=O)N1CC[C@H]2CCN(C(=O)C3=CC=C(F)C=C3[O-])[C@H]2C1	REAL300031409308	0	43	-1.0	-82.01	352.86	4.69	-77.32
CC1=CC(=O)C(C(=O)N2CC[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)=N[N-]1	REAL300031409387	0	44	-1.0	-75.42	356.56	4.36	-71.06
O=C(C1=CC=CC(=O)N1[O-])N1CC[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300031409397	0	43	-1.0	-88.98	358.50	4.13	-84.85
CN1N=C(C(=O)N2CC[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)[N-]C1=O	REAL300031409434	0	42	-1.0	-53.69	350.45	0.82	-52.87
N#CC1=CC=C(C(=O)N2CC[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)C([O-])=C1	REAL300031409463	0	44	-1.0	-78.55	367.26	5.03	-73.52
N#CC1=CC=C([O-])C(C(=O)N2CC[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)=C1	REAL300031409468	0	44	-1.0	-49.56	371.72	5.00	-44.56
O=C(C1=NSNC1=O)N1CC[C@H]2CCN(C(=O)C3=CC=C(F)C([O-])=C3)[C@H]2C1	REAL300031409545	1	43	-1.0	-52.68	355.86	3.52	-49.16
O=C(C1=NSNC1=O)N1CC[C@H]2CCN(C(=O)C3=NC(=O)[N-]C(=O)N3)[C@H]2C1	REAL300031409586	0	41	-1.0	-43.91	347.12	-1.14	-45.05
O=C(C1=NSNC1=O)N1CC[C@H]2CCN(C(=O)C3=NC(=O)NC(=O)[N-]3)[C@H]2C1	REAL300031409586	1	41	-1.0	-43.91	347.12	-1.14	-45.05
NC1=NC=C(C(=O)N2CC[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)C(=O)N1	REAL300031409615	0	43	-1.0	-53.93	360.59	0.80	-53.13
NC1=NC=C(C(=O)N2CC[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)C(=O)[N-]1	REAL300031409615	1	43	-1.0	-53.93	360.59	0.80	-53.13
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300031409691	0	39	-1.0	-52.44	328.54	0.70	-51.74
CC1SC(C(=O)N2CC[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)=NC1=O	REAL300031409704	0	42	-1.0	-54.27	360.36	1.15	-53.12
CC1=C([O-])N=C(C(=O)N2CC[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)S1	REAL300031409704	1	42	-1.0	-54.27	360.36	1.15	-53.12
O=C(C1=NSNC1=O)N1CC[C@H]2CCN(C(=O)C3=CC(=O)NC([O-])=C3)[C@H]2C1	REAL300031409791	0	43	-1.0	-62.37	359.62	-0.59	-62.96
CCN1[N-]C(C(=O)N2CC[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)=CC1=O	REAL300031409831	0	46	-1.0	-50.88	378.01	3.18	-47.70
CN1[N-]C(C(=O)N2CC[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)=CC1=O	REAL300031409843	0	43	-1.0	-72.20	350.88	2.53	-69.67
O=C(CC1=CC(=O)NN1)N1CC[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300031409908	0	43	-1.0	-77.98	352.58	1.10	-76.88
O=C(CC1=CC(=O)N[N-]1)N1CC[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300031409908	1	43	-1.0	-77.98	352.58	1.10	-76.88
O=C(C1=NSNC1=O)N1CC[C@H]2CCN(C(=O)C3=CC=C(O)C(F)=C3)[C@H]2C1	REAL300031409912	0	43	-1.0	-55.01	355.83	3.54	-51.47
O=C(C1=NSNC1=O)N1CC[C@H]2CCN(C(=O)C3=CC=C([O-])C(F)=C3)[C@H]2C1	REAL300031409912	1	43	-1.0	-55.01	355.83	3.54	-51.47
CC1=CN=C(C(=O)N2CC[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)C([O-])=C1	REAL300031409964	1	45	-1.0	-87.87	360.96	4.97	-82.90
O=C(C1=CC([O-])=CS1)N1CC[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300031409976	0	40	-1.0	-81.29	334.75	2.81	-78.48
O=C(C1=CN([O-])C(=O)C=C1)N1CC[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300031409985	0	43	-1.0	-77.70	357.01	5.02	-72.68
CN1[N-]C(C(=O)N2CC[C@H]3CCN(C(=O)C4=NSNC4=O)[C@H]3C2)=CC1=O	REAL300031410079	0	43	-1.0	-67.86	350.66	2.57	-65.29
O=C(C1=NSNC1=O)N1CC[C@@H]2CCN(C(=O)C3=NC(=O)[N-]C(=O)N3)C[C@@H]21	REAL300031410174	0	41	-1.0	-57.86	341.66	-0.61	-58.47
O=C(C1=NSNC1=O)N1CC[C@@H]2CCN(C(=O)C3=NC(=O)NC(=O)[N-]3)C[C@@H]21	REAL300031410174	1	41	-1.0	-57.86	341.66	-0.61	-58.47
O=C(C1=NSNC1=O)N1CC[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300031410280	0	39	-1.0	-67.46	322.88	0.84	-66.62
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=NNC(=O)[N-]C1=O)C1=NSNC1=O	REAL300031411469	0	40	-1.0	-51.77	356.07	-4.29	-56.06
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O	REAL300031411553	0	42	-1.0	-51.83	370.18	-2.64	-54.47
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CN([O-])C(=O)C=C1)C1=NSNC1=O	REAL300031412144	0	42	-1.0	-63.61	367.15	1.86	-61.75
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)NC([O-])=C1)C1=NSNC1=O	REAL300031412258	0	42	-1.0	-47.64	367.60	-3.05	-50.69
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300031412269	1	38	-1.0	-49.84	339.67	-3.22	-53.06
O=C([N-][C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O)C(F)(F)C(F)(F)F	REAL300031412359	0	37	-1.0	-44.03	342.40	0.11	-43.92
CCN1[N-]C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)=CC1=O	REAL300031412439	0	45	-1.0	-51.28	389.04	0.42	-50.86
O=C(CC1=CC(=O)N[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O	REAL300031412447	1	42	-1.0	-55.88	365.17	-1.59	-57.47
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=CC(=S)N1[O-])C1=NSNC1=O	REAL300031412465	0	42	-1.0	-78.69	375.70	3.89	-74.80
O=C(CC1SC(=O)[N-]C1=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O	REAL300031412474	0	42	-1.0	-48.12	378.30	-3.07	-51.19
CN1N=C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)[N-]C1=O	REAL300031412490	0	41	-1.0	-53.79	361.83	-2.03	-55.82
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=C[N-]N=CC1=O)C1=NSNC1=O	REAL300031412579	0	40	-1.0	-43.26	348.73	-0.08	-43.34
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300031412678	0	39	-1.0	-48.23	344.51	-2.23	-50.46
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O	REAL300031412683	0	44	-1.0	-47.11	383.05	-0.93	-48.04
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=CN([O-])C1=O)C1=NSNC1=O	REAL300031412714	0	42	-1.0	-63.23	364.67	2.02	-61.21
CC1SC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)=NC1=O	REAL300031412742	0	41	-1.0	-56.33	371.05	-2.10	-58.43
CC1=C([O-])N=C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)S1	REAL300031412742	1	41	-1.0	-56.33	371.05	-2.10	-58.43
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)C=C(Cl)N1)C1=NSNC1=O	REAL300031412756	0	41	-1.0	-45.07	374.66	1.06	-44.01
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=NSNC1=O	REAL300031412756	1	41	-1.0	-45.07	374.66	1.06	-44.01
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)N([O-])C=C1)C1=NSNC1=O	REAL300031412773	0	42	-1.0	-64.36	367.52	1.85	-62.51
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=CC(=O)N1[O-])C1=NSNC1=O	REAL300031412806	0	42	-1.0	-75.47	364.59	2.84	-72.63
NC1=NC([O-])=C(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)S1	REAL300031412929	0	43	-1.0	-66.58	385.83	-3.18	-69.76
O=C(CC1=NC([O-])=CS1)N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O	REAL300031412974	0	41	-1.0	-67.42	371.02	-2.31	-69.73
CCC1=NC=C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031412992	1	46	-1.0	-49.54	389.57	0.30	-49.24
O=C(CN1N=CC(=O)[N-]C1=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O	REAL300031413001	0	43	-1.0	-57.98	380.52	-3.73	-61.71
CC1=CC(=O)C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)=N[N-]1	REAL300031413203	0	43	-1.0	-51.06	373.25	1.56	-49.50
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O)C1=NNC(=O)[N-]1	REAL300031413218	0	38	-1.0	-51.12	339.00	-3.68	-54.80
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O)C1=CN=C(C=N[O-])S1	REAL300031413329	0	41	-1.0	-61.00	379.88	-0.63	-61.63
COC1=NC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300031413342	0	44	-1.0	-51.74	385.22	-4.21	-55.95
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=NC=CC=C1[O-])C1=NSNC1=O	REAL300031413598	1	41	-1.0	-58.69	356.55	1.21	-57.48
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=NNC(=O)[N-]C1=O)C1=NSNC1=O	REAL300031413721	0	40	-1.0	-51.77	356.07	-4.29	-56.06
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O	REAL300031413881	0	42	-1.0	-51.83	370.18	-2.64	-54.47
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(Cl)=CC=C1[O-])C1=NSNC1=O	REAL300031415200	1	42	-1.0	-55.17	376.06	3.43	-51.74
N#CC1=CC([O-])=CC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)=C1	REAL300031415225	1	43	-1.0	-47.48	382.34	1.68	-45.80
CCC1=NC=C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031415308	1	46	-1.0	-49.54	389.57	0.30	-49.24
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300031415326	1	38	-1.0	-49.84	339.67	-3.22	-53.06
O=C(C[N-]C(=O)C(F)(F)F)N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O	REAL300031415393	0	41	-1.0	-47.02	374.63	-2.33	-49.35
NC1=NC([O-])=C(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)S1	REAL300031415394	0	43	-1.0	-66.58	385.83	-3.18	-69.76
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=C(F)C=C([O-])C=C1F)C1=NSNC1=O	REAL300031415403	0	42	-1.0	-47.20	377.76	1.25	-45.95
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=C([O-])C=C1F)C1=NSNC1=O	REAL300031415418	1	42	-1.0	-51.67	366.01	1.39	-50.28
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC([O-])=CC(=O)O1)C1=NSNC1=O	REAL300031415424	0	41	-1.0	-49.96	364.83	0.55	-49.41
N#CC1=CC=C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)C=C1[O-]	REAL300031415431	1	43	-1.0	-54.71	381.64	1.74	-52.97
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(Cl)=NC=C1[O-])C1=NSNC1=O	REAL300031415434	0	41	-1.0	-51.71	371.48	1.54	-50.17
O=C(CN1N=CC(=O)[N-]C1=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O	REAL300031415450	0	43	-1.0	-57.98	380.52	-3.73	-61.71
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=C[N-]N=CC1=O)C1=NSNC1=O	REAL300031415528	0	40	-1.0	-43.26	348.73	-0.08	-43.34
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=CC(F)=C1[O-])C1=NSNC1=O	REAL300031415537	0	42	-1.0	-62.64	365.56	2.98	-59.66
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=CC([O-])=C1F)C1=NSNC1=O	REAL300031415623	1	42	-1.0	-61.27	365.87	1.38	-59.89
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300031415721	0	39	-1.0	-48.23	344.51	-2.23	-50.46
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O	REAL300031415727	0	44	-1.0	-47.11	383.05	-0.93	-48.04
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)N([O-])C=C1)C1=NSNC1=O	REAL300031415814	0	42	-1.0	-64.36	367.52	1.85	-62.51
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O)C1=NNC(=O)[N-]1	REAL300031415838	0	38	-1.0	-51.12	339.00	-3.68	-54.80
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=C(O)C=CC=C1Cl)C1=NSNC1=O	REAL300031415841	0	42	-1.0	-51.05	380.73	1.64	-49.41
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=C([O-])C=CC=C1Cl)C1=NSNC1=O	REAL300031415841	1	42	-1.0	-51.05	380.73	1.64	-49.41
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=CN([O-])C1=O)C1=NSNC1=O	REAL300031415845	0	42	-1.0	-63.23	364.67	2.02	-61.21
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=C(F)C=CC(O)=C1F)C1=NSNC1=O	REAL300031415874	0	42	-1.0	-54.05	377.59	1.23	-52.82
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=C(F)C=CC([O-])=C1F)C1=NSNC1=O	REAL300031415874	1	42	-1.0	-54.05	377.59	1.23	-52.82
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=NSNC1=O	REAL300031416004	0	42	-1.0	-49.82	377.48	1.88	-47.94
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(F)=CC=C1[O-])C1=NSNC1=O	REAL300031416009	1	42	-1.0	-54.86	365.74	2.97	-51.89
CC1=CC=NC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)=C1[O-]	REAL300031416072	1	44	-1.0	-58.43	376.87	1.89	-56.54
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CN=CC([O-])=C1)C1=NSNC1=O	REAL300031416176	1	41	-1.0	-53.08	356.52	-0.50	-53.58
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=CC(=S)N1[O-])C1=NSNC1=O	REAL300031416186	0	42	-1.0	-78.69	375.70	3.89	-74.80
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=C([O-])C(Cl)=N1)C1=NSNC1=O	REAL300031416293	0	41	-1.0	-46.55	374.86	0.05	-46.50
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=C([O-])C=C1Cl)C1=NSNC1=O	REAL300031416331	1	42	-1.0	-50.60	373.98	1.84	-48.76
O=C(CC1=NC([O-])=CS1)N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O	REAL300031416342	0	41	-1.0	-67.42	371.02	-2.31	-69.73
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=C([O-])C=CC=C1F)C1=NSNC1=O	REAL300031416357	1	42	-1.0	-56.40	371.24	1.26	-55.14
O=C(CN1[N-]C(=O)C=CC1=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O	REAL300031416359	0	44	-1.0	-52.63	386.29	-1.62	-54.25
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=C(F)C=C1[O-])C1=NSNC1=O	REAL300031416360	0	42	-1.0	-57.31	365.73	2.98	-54.33
CC1=CC=C(F)C([O-])=C1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O	REAL300031416390	0	45	-1.0	-55.84	390.67	1.82	-54.02
O=C(CC1SC(=O)[N-]C1=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O	REAL300031416452	0	42	-1.0	-48.12	378.30	-3.07	-51.19
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=C([O-])C(F)=C1F)C1=NSNC1=O	REAL300031416477	0	42	-1.0	-53.32	372.10	1.47	-51.85
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=CC(Cl)=C1[O-])C1=NSNC1=O	REAL300031416483	0	42	-1.0	-57.63	375.36	3.44	-54.19
CC1=CC(=O)C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)=N[N-]1	REAL300031416511	0	43	-1.0	-51.06	373.25	1.56	-49.50
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=CC(=O)N1[O-])C1=NSNC1=O	REAL300031416536	0	42	-1.0	-75.47	364.59	2.84	-72.63
N#CC1=CC=C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031416564	0	42	-1.0	-45.32	374.43	-0.20	-45.52
CN1N=C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)[N-]C1=O	REAL300031416610	0	41	-1.0	-53.79	361.83	-2.03	-55.82
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=C(F)C=CC(O)=C1O)C1=NSNC1=O	REAL300031416659	0	43	-1.0	-57.39	381.97	-0.69	-58.08
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=C(F)C=CC(O)=C1[O-])C1=NSNC1=O	REAL300031416659	1	43	-1.0	-57.39	381.97	-0.69	-58.08
N#CC1=CC=C([O-])C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)=C1	REAL300031416668	0	43	-1.0	-52.34	380.16	3.35	-48.99
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CN([O-])C(=O)NC1=O)C1=NSNC1=O	REAL300031416751	0	42	-1.0	-50.33	369.91	-0.52	-50.85
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=C(F)C(O)=C1)C1=NSNC1=O	REAL300031416802	0	42	-1.0	-58.81	367.71	1.37	-57.44
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=C(F)C([O-])=C1)C1=NSNC1=O	REAL300031416802	1	42	-1.0	-58.81	367.71	1.37	-57.44
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=C(Cl)C=C1O)C1=NSNC1=O	REAL300031416820	0	42	-1.0	-56.96	376.05	3.43	-53.53
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=C(Cl)C=C1[O-])C1=NSNC1=O	REAL300031416820	1	42	-1.0	-56.96	376.05	3.43	-53.53
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=NC(=O)[N-]C(=O)N1)C1=NSNC1=O	REAL300031416887	0	40	-1.0	-52.36	357.63	-5.27	-57.63
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=NC(=O)NC(=O)[N-]1)C1=NSNC1=O	REAL300031416887	1	40	-1.0	-45.48	358.27	-4.53	-50.01
NC1=NC=C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031416941	1	42	-1.0	-50.13	362.92	-1.35	-51.48
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=C(F)C([O-])=C1F)C1=NSNC1=O	REAL300031416974	0	42	-1.0	-61.02	372.06	1.45	-59.57
COC1=NC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300031417016	0	44	-1.0	-51.74	385.22	-4.21	-55.95
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=NC=CC(Cl)=C1[O-])C1=NSNC1=O	REAL300031417025	0	41	-1.0	-54.86	372.75	1.72	-53.14
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=C(Cl)C([O-])=C1)C1=NSNC1=O	REAL300031417063	0	42	-1.0	-54.67	377.52	1.86	-52.81
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=NC=C1[O-])C1=NSNC1=O	REAL300031417072	1	41	-1.0	-57.20	354.61	1.11	-56.09
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300031417078	0	38	-1.0	-52.47	339.25	-1.73	-54.20
CC1=C([O-])N=C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)S1	REAL300031417100	1	41	-1.0	-56.33	371.05	-2.10	-58.43
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C=C1	REAL300031417192	1	44	-1.0	-51.36	381.82	1.16	-50.20
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O)C1=CN=C(C=N[O-])S1	REAL300031417211	0	41	-1.0	-61.00	379.88	-0.63	-61.63
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=NSNC1=O	REAL300031417232	1	41	-1.0	-45.07	374.66	1.06	-44.01
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)NC([O-])=C1)C1=NSNC1=O	REAL300031417252	0	42	-1.0	-47.64	367.60	-3.05	-50.69
CCN1[N-]C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)=CC1=O	REAL300031417309	0	45	-1.0	-51.28	389.04	0.42	-50.86
CN1[N-]C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)=CC1=O	REAL300031417328	0	42	-1.0	-50.52	367.24	-0.50	-51.02
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O	REAL300031417338	0	42	-1.0	-52.74	381.49	-2.40	-55.14
O=C(CC1=CC(=O)N[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O	REAL300031417465	1	42	-1.0	-55.88	365.17	-1.59	-57.47
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=C([O-])C(F)=C1)C1=NSNC1=O	REAL300031417470	1	42	-1.0	-53.83	367.68	1.40	-52.43
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(F)=C([O-])C(F)=C1)C1=NSNC1=O	REAL300031417516	0	42	-1.0	-53.31	373.89	1.48	-51.83
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=NC(Cl)=C1[O-])C1=NSNC1=O	REAL300031417521	0	41	-1.0	-55.33	370.79	1.55	-53.78
CC1=C(CC(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)C(=O)N(C)[N-]1	REAL300031417536	0	48	-1.0	-55.23	407.99	0.82	-54.41
CC1=CN=C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)C([O-])=C1	REAL300031417572	1	44	-1.0	-60.07	378.01	1.83	-58.24
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O)C1=CC([O-])=CS1	REAL300031417593	0	39	-1.0	-56.78	353.74	0.24	-56.54
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CN([O-])C(=O)C=C1)C1=NSNC1=O	REAL300031417609	0	42	-1.0	-63.61	367.15	1.86	-61.75
CN1[N-]C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2=NSNC2=O)=CC1=O	REAL300031417761	0	42	-1.0	-50.52	367.24	-0.50	-51.02
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O	REAL300031417768	0	42	-1.0	-52.74	381.49	-2.40	-55.14
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=NC(=O)[N-]C(=O)N1)C1=NSNC1=O	REAL300031417917	0	40	-1.0	-52.36	357.63	-5.27	-57.63
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=NC(=O)NC(=O)[N-]1)C1=NSNC1=O	REAL300031417917	1	40	-1.0	-45.48	358.27	-4.53	-50.01
O=C(CN1[N-]C(=O)C=CC1=O)N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O	REAL300031418056	0	44	-1.0	-52.63	386.29	-1.62	-54.25
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300031418063	0	38	-1.0	-52.47	339.25	-1.73	-54.20
O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CN([O-])C(=O)NC1=O)C1=NSNC1=O	REAL300031418074	0	42	-1.0	-50.33	369.91	-0.52	-50.85
O=C(N[C@H]1C[C@@H](CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300031418724	1	44	-1.0	-53.32	387.03	0.21	-53.11
O=C(CCCN1C(=O)[N-]NC1=O)NC[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031419363	0	45	-1.0	-58.26	399.24	-2.16	-60.42
O=C(CCC1=NNC(=O)[N-]C1=O)NC[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031419579	0	43	-1.0	-57.54	386.93	-4.91	-62.45
CC(=O)[N-]C1=NC(C(=O)NC[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)=CS1	REAL300031419580	1	41	-1.0	-50.03	381.18	-1.40	-51.43
O=C(CCN1C=C[N-]C(=O)C1=O)NC[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031419738	1	44	-1.0	-63.02	392.72	-0.77	-63.79
COC1=C(C(=O)NC[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031419847	1	42	-1.0	-58.49	376.41	-3.72	-62.21
O=C(N[C@H]1C[C@@H](CNC(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300031419961	0	37	-1.0	-57.38	342.60	-5.01	-62.39
O=C(CN1C(=O)[N-]NC1=O)NC[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031420078	0	39	-1.0	-58.11	356.73	-3.37	-61.48
O=C(NC[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)C=C1	REAL300031420936	0	39	-1.0	-70.68	353.73	1.09	-69.59
O=C(C[N-]C(=O)C(F)(F)F)NC[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031422029	0	38	-1.0	-51.96	361.22	-3.08	-55.04
NC1=NC([O-])=C(CC(=O)NC[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300031422030	0	40	-1.0	-70.07	372.42	-3.93	-74.00
O=C(CC1=NC([O-])=CS1)NC[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031422090	0	38	-1.0	-71.88	357.55	-3.05	-74.93
CCC1=NC=C(C(=O)NC[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031422115	1	43	-1.0	-51.90	376.20	-0.45	-52.35
O=C(CN1N=CC(=O)[N-]C1=O)NC[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031422127	0	40	-1.0	-62.22	367.06	-4.48	-66.70
O=C(NC[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=C(Cl)C(=O)[N-]S1	REAL300031422204	0	35	-1.0	-54.27	348.60	-1.66	-55.93
COCC1=NC=C(C(=O)NC[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300031422311	0	44	-1.0	-52.67	389.13	-2.20	-54.87
COCC1=NC=C(C(=O)NC[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031422311	1	44	-1.0	-52.67	389.13	-2.20	-54.87
CC1=CC(=O)C(C(=O)NC[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031422412	0	40	-1.0	-55.56	359.79	0.84	-54.72
O=C(NC[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]1	REAL300031422431	0	35	-1.0	-56.48	325.57	-4.44	-60.92
O=C(NC[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300031422456	0	40	-1.0	-53.98	368.28	0.05	-53.93
O=C(NC[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300031422456	1	40	-1.0	-53.98	368.28	0.05	-53.93
O=C(NC[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300031422594	0	38	-1.0	-66.81	366.42	-1.38	-68.19
O=C(NC[C@@H]1C[C@H](NC(=O)C2=NC=CC=C2O)C1)C1=NSNC1=O	REAL300031422873	0	38	-1.0	-64.38	343.09	0.46	-63.92
O=C(NC[C@@H]1C[C@H](NC(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300031422873	1	38	-1.0	-64.38	343.09	0.46	-63.92
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@H]1C[C@@H](CNC(=O)C2=NSNC2=O)C1	REAL300031422993	1	44	-1.0	-63.02	392.68	-0.75	-63.77
CC(=O)[N-]C1=NC(C(=O)N[C@H]2C[C@@H](CNC(=O)C3=NSNC3=O)C2)=CS1	REAL300031423005	1	41	-1.0	-50.11	381.17	-1.39	-51.50
O=C(NC[C@H]1C[C@@H](NC(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300031423037	0	37	-1.0	-57.69	342.61	-5.03	-62.72
COC1=C(C(=O)N[C@H]2C[C@@H](CNC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031423091	1	42	-1.0	-58.46	376.23	-3.74	-62.20
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1C[C@@H](CNC(=O)C2=NSNC2=O)C1	REAL300031423260	0	39	-1.0	-58.53	356.76	-3.37	-61.90
O=C(CCCN1C(=O)[N-]NC1=O)N[C@H]1C[C@@H](CNC(=O)C2=NSNC2=O)C1	REAL300031424250	0	45	-1.0	-58.42	399.30	-2.17	-60.59
O=C(NC[C@H]1C[C@@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300031424457	1	44	-1.0	-53.13	387.32	0.16	-52.97
O=C(NC[C@@H]1C[C@H](NC(=O)C2=CC=C(F)C([O-])=C2F)C1)C1=NSNC1=O	REAL300031427964	0	39	-1.0	-68.69	358.59	0.70	-67.99
O=C(NC[C@@H]1C[C@H](NC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=NSNC1=O	REAL300031428024	1	40	-1.0	-53.85	368.23	0.08	-53.77
COC1=NC(C(=O)N[C@H]2C[C@@H](CNC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300031428030	0	41	-1.0	-57.57	371.47	-4.92	-62.49
O=C(NC[C@H]1C[C@@H](NC(=O)C2=CC=C3N[N-]N=C3C2=O)C1)C1=NSNC1=O	REAL300031428032	0	41	-1.0	-62.19	366.44	0.51	-61.68
O=C(NC[C@@H]1C[C@H](NC(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300031428045	0	38	-1.0	-60.49	359.30	0.98	-59.51
O=C(CC1=CC=C([O-])C(Cl)=C1)N[C@H]1C[C@@H](CNC(=O)C2=NSNC2=O)C1	REAL300031428051	1	42	-1.0	-64.38	388.70	1.77	-62.61
O=C(NC[C@@H]1C[C@H](NC(=O)C2=CC=C(Cl)C([O-])=C2)C1)C1=NSNC1=O	REAL300031428092	0	39	-1.0	-61.66	364.06	1.10	-60.56
O=C(NC[C@@H]1C[C@H](NC(=O)C2=CC=NC=C2[O-])C1)C1=NSNC1=O	REAL300031428103	1	38	-1.0	-64.43	341.14	0.36	-64.07
O=C(NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1)C1=NSNC1=O	REAL300031428113	0	35	-1.0	-57.66	325.78	-2.48	-60.14
CC1=C([O-])N=C(C(=O)N[C@H]2C[C@@H](CNC(=O)C3=NSNC3=O)C2)S1	REAL300031428148	1	38	-1.0	-60.09	357.81	-2.85	-62.94
O=C(NC[C@@H]1C[C@H](NC(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1)C1=NSNC1=O	REAL300031428218	1	45	-1.0	-68.76	390.81	4.51	-64.25
O=C(NC[C@@H]1C[C@H](NC(=O)C2=CC3=CC=CC=C3C=C2[O-])C1)C1=NSNC1=O	REAL300031428226	1	45	-1.0	-72.60	391.89	4.44	-68.16
O=C(N[C@H]1C[C@@H](CNC(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C([O-])C=C1	REAL300031428276	1	41	-1.0	-56.21	368.35	0.44	-55.77
O=C(NC[C@@H]1C[C@H](NC(=O)C2=CN=C(C=N[O-])S2)C1)C1=NSNC1=O	REAL300031428313	0	38	-1.0	-66.79	366.42	-1.37	-68.16
O=C(NC[C@@H]1C[C@H](NC(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=NSNC1=O	REAL300031428348	1	38	-1.0	-49.91	361.24	0.33	-49.58
CSC1=NC=C(C(=O)N[C@H]2C[C@@H](CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031428374	1	41	-1.0	-52.67	377.40	-0.90	-53.57
O=C(NC[C@@H]1C[C@H](NC(=O)C2=CC(=O)NC([O-])=C2)C1)C1=NSNC1=O	REAL300031428382	0	39	-1.0	-52.72	354.14	-3.80	-56.52
CCN1[N-]C(C(=O)N[C@H]2C[C@@H](CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031428464	0	42	-1.0	-56.46	375.64	-0.33	-56.79
CN1[N-]C(C(=O)N[C@H]2C[C@@H](CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031428486	0	39	-1.0	-55.70	353.86	-1.25	-56.95
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](CNC(=O)C2=NSNC2=O)C1	REAL300031428503	0	39	-1.0	-57.83	368.02	-3.14	-60.97
CC1=C(C(=O)N[C@H]2C[C@@H](CNC(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300031428505	1	41	-1.0	-66.74	381.41	-1.84	-68.58
O=C(CC1=CC(=O)N[N-]1)N[C@H]1C[C@@H](CNC(=O)C2=NSNC2=O)C1	REAL300031428681	1	39	-1.0	-61.44	351.71	-2.34	-63.78
O=C(NC[C@@H]1C[C@H](NC(=O)C2=CC=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300031428687	1	39	-1.0	-59.90	354.25	0.65	-59.25
O=C(NC[C@@H]1C[C@H](NC(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300031428749	0	39	-1.0	-58.95	360.47	0.73	-58.22
O=C(NC[C@@H]1C[C@H](NC(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300031428755	0	38	-1.0	-62.66	357.34	0.81	-61.85
CC1=C(CC(=O)N[C@H]2C[C@@H](CNC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300031428775	0	45	-1.0	-62.18	394.57	0.08	-62.10
CC1=CN=C(C(=O)N[C@H]2C[C@@H](CNC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300031428824	1	41	-1.0	-65.74	364.53	1.09	-64.65
O=C(NC[C@@H]1C[C@H](NC(=O)C2=C(O)C=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300031428838	0	40	-1.0	-58.19	378.22	-1.76	-59.95
O=C(N[C@H]1C[C@@H](CNC(=O)C2=NSNC2=O)C1)C1=CC([O-])=CS1	REAL300031428858	0	36	-1.0	-62.95	340.27	-0.51	-63.46
O=C(NC[C@@H]1C[C@H](NC(=O)C2=CN([O-])C(=O)C=C2)C1)C1=NSNC1=O	REAL300031428880	0	39	-1.0	-70.81	353.73	1.12	-69.69
O=C(N[C@H]1C[C@H](CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300031430135	1	44	-1.0	-51.49	386.86	0.24	-51.25
O=C(CCCN1C(=O)[N-]NC1=O)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031430774	0	45	-1.0	-59.44	399.12	-2.13	-61.57
O=C(CCC1=NNC(=O)[N-]C1=O)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031430990	0	43	-1.0	-58.30	386.85	-4.85	-63.15
CC(=O)[N-]C1=NC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=CS1	REAL300031430991	1	41	-1.0	-49.03	381.04	-1.35	-50.38
O=C(CCN1C=C[N-]C(=O)C1=O)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031431149	1	44	-1.0	-64.34	392.54	-0.72	-65.06
COC1=C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031431258	1	42	-1.0	-57.92	376.03	-3.67	-61.59
O=C(N[C@H]1C[C@H](CNC(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300031431372	0	37	-1.0	-57.98	342.51	-4.98	-62.96
O=C(CN1C(=O)[N-]NC1=O)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031431489	0	39	-1.0	-59.00	356.57	-3.33	-62.33
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C2N=NN([O-])C2=C1	REAL300031432970	0	41	-1.0	-68.89	370.18	-0.33	-69.22
CC1=C(CC(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300031432982	0	45	-1.0	-64.15	395.21	0.14	-64.01
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300031433068	0	36	-1.0	-52.76	330.89	-2.94	-55.70
C[PH](C)([O-])C(=O)C(=O)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031433073	0	41	-1.0	-51.03	369.49	-1.63	-52.66
CN1[N-]C(CC(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031433076	0	42	-1.0	-64.59	374.40	-0.57	-65.16
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=CN([O-])C1=O	REAL300031433122	0	39	-1.0	-61.83	351.13	1.31	-60.52
CSC1=NC=C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031433142	1	41	-1.0	-50.62	377.27	-0.87	-51.49
CC1=C([O-])N=C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300031433167	1	38	-1.0	-58.06	357.68	-2.81	-60.87
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300031433188	1	38	-1.0	-49.71	361.12	0.38	-49.33
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC(=O)N([O-])C=C1	REAL300031433210	0	39	-1.0	-71.80	353.91	1.15	-70.65
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300031433270	0	39	-1.0	-85.35	351.11	2.16	-83.19
O=C(C[N-]C(=O)C(F)(F)F)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031433440	0	38	-1.0	-52.28	361.11	-3.04	-55.32
NC1=NC([O-])=C(CC(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300031433441	0	40	-1.0	-69.84	372.32	-3.87	-73.71
O=C(CC1=NC([O-])=CS1)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031433501	0	38	-1.0	-72.81	357.41	-3.00	-75.81
CCC1=NC=C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031433526	1	43	-1.0	-49.98	376.04	-0.40	-50.38
O=C(CN1N=CC(=O)[N-]C1=O)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031433538	0	40	-1.0	-64.49	366.95	-4.44	-68.93
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=C(Cl)C(=O)[N-]S1	REAL300031433615	0	35	-1.0	-54.20	348.51	-1.64	-55.84
COCC1=NC=C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300031433722	0	44	-1.0	-50.94	388.97	-2.16	-53.10
COCC1=NC=C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031433722	1	44	-1.0	-50.94	388.97	-2.16	-53.10
CC1=CC(=O)C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031433823	0	40	-1.0	-55.68	359.62	0.88	-54.80
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]1	REAL300031433842	0	35	-1.0	-56.38	325.40	-4.38	-60.76
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300031433867	0	40	-1.0	-53.11	368.15	0.10	-53.01
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300031433867	1	40	-1.0	-53.11	368.15	0.10	-53.01
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300031434005	0	38	-1.0	-66.65	366.31	-1.32	-67.97
COC1=NC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300031434025	0	41	-1.0	-57.91	371.61	-4.91	-62.82
O=C(NC[C@@H]1C[C@@H](NC(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300031434284	1	38	-1.0	-64.01	342.95	0.52	-63.49
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@H]1C[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300031434404	1	44	-1.0	-61.82	392.54	-0.70	-62.52
CC(=O)[N-]C1=NC(C(=O)N[C@H]2C[C@H](CNC(=O)C3=NSNC3=O)C2)=CS1	REAL300031434416	1	41	-1.0	-47.34	381.10	-1.34	-48.68
O=C(NC[C@H]1C[C@H](NC(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300031434448	0	37	-1.0	-56.99	342.46	-5.00	-61.99
COC1=C(C(=O)N[C@H]2C[C@H](CNC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031434502	1	42	-1.0	-56.34	376.22	-3.68	-60.02
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1C[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300031434671	0	39	-1.0	-58.89	356.65	-3.34	-62.23
O=C(CCCN1C(=O)[N-]NC1=O)N[C@H]1C[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300031435661	0	45	-1.0	-59.00	399.16	-2.14	-61.14
O=C(NC[C@H]1C[C@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300031435868	1	44	-1.0	-49.45	387.27	0.18	-49.27
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@H]1C[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300031436721	0	43	-1.0	-57.75	386.84	-4.85	-62.60
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O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CC=C([O-])C=C2Cl)C1)C1=NSNC1=O	REAL300031447755	1	42	-1.0	-56.44	377.43	1.82	-54.62
O=C(CC1=NC([O-])=CS1)N[C@@H]1CC[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300031447766	0	41	-1.0	-72.91	374.23	-2.35	-75.26
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=C(O)C=CC=C2F)C1)C1=NSNC1=O	REAL300031447781	0	42	-1.0	-60.82	374.65	1.27	-59.55
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=C([O-])C=CC=C2F)C1)C1=NSNC1=O	REAL300031447781	1	42	-1.0	-60.82	374.65	1.27	-59.55
O=C(CN1[N-]C(=O)C=CC1=O)N[C@@H]1CC[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300031447783	0	44	-1.0	-60.16	389.40	-1.64	-61.80
O=C(CC1SC(=O)[N-]C1=O)N[C@@H]1CC[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300031447876	0	42	-1.0	-52.80	381.95	-3.11	-55.91
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=NSNC1=O	REAL300031447901	0	42	-1.0	-60.03	375.55	1.43	-58.60
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300031447907	0	42	-1.0	-65.30	378.57	3.39	-61.91
CC1=CC(=O)C(C(=O)N[C@@H]2CC[C@H](CNC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031447935	0	43	-1.0	-57.74	376.33	1.56	-56.18
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CC=CC(=O)N2[O-])C1)C1=NSNC1=O	REAL300031447960	0	42	-1.0	-84.59	367.69	2.84	-81.75
N#CC1=CC=C(C(=O)N[C@@H]2CC[C@H](CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031447988	0	42	-1.0	-49.91	377.46	-0.20	-50.11
CN1N=C(C(=O)N[C@@H]2CC[C@H](CNC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031448034	0	41	-1.0	-59.91	365.10	-2.05	-61.96
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=C(F)C=CC(O)=C2O)C1)C1=NSNC1=O	REAL300031448083	0	43	-1.0	-62.98	385.07	-0.67	-63.65
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=NSNC1=O	REAL300031448083	1	43	-1.0	-62.98	385.07	-0.67	-63.65
N#CC1=CC=C([O-])C(C(=O)N[C@@H]2CC[C@H](CNC(=O)C3=NSNC3=O)C2)=C1	REAL300031448092	0	43	-1.0	-59.04	383.61	3.31	-55.73
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=NSNC1=O	REAL300031448175	0	42	-1.0	-55.46	372.95	-0.51	-55.97
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CC=C(F)C(O)=C2)C1)C1=NSNC1=O	REAL300031448226	0	42	-1.0	-57.59	371.18	1.32	-56.27
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CC=C(F)C([O-])=C2)C1)C1=NSNC1=O	REAL300031448226	1	42	-1.0	-57.59	371.18	1.32	-56.27
O=C(NC[C@H]1CC[C@@H](NC(=O)C(F)(F)C(F)(F)F)C1)C1=NSNC1=O	REAL300031448236	0	37	-1.0	-46.80	347.38	0.08	-46.72
O=C([N-][C@@H]1CC[C@H](CNC(=O)C2=NSNC2=O)C1)C(F)(F)C(F)(F)F	REAL300031448236	1	37	-1.0	-46.80	347.38	0.08	-46.72
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CC=C(Cl)C=C2O)C1)C1=NSNC1=O	REAL300031448244	0	42	-1.0	-64.63	379.50	3.40	-61.23
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=NSNC1=O	REAL300031448244	1	42	-1.0	-64.63	379.50	3.40	-61.23
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300031448311	0	40	-1.0	-58.12	360.73	-5.27	-63.39
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300031448311	1	40	-1.0	-50.31	361.48	-4.55	-54.86
NC1=NC=C(C(=O)N[C@@H]2CC[C@H](CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031448365	1	42	-1.0	-55.08	365.83	-1.32	-56.40
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CC=C(F)C([O-])=C2F)C1)C1=NSNC1=O	REAL300031448398	0	42	-1.0	-68.83	375.51	1.41	-67.42
COC1=NC(C(=O)N[C@@H]2CC[C@H](CNC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300031448440	0	44	-1.0	-58.88	388.33	-4.22	-63.10
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300031448449	0	41	-1.0	-61.23	376.04	1.66	-59.57
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CC=C(Cl)C([O-])=C2)C1)C1=NSNC1=O	REAL300031448487	0	42	-1.0	-53.80	380.98	1.82	-51.98
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CC=NC=C2[O-])C1)C1=NSNC1=O	REAL300031448496	1	41	-1.0	-65.56	357.72	1.10	-64.46
O=C(N[C@@H]1CC[C@H](CNC(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300031448502	0	38	-1.0	-57.87	342.46	-1.79	-59.66
CC1=C([O-])N=C(C(=O)N[C@@H]2CC[C@H](CNC(=O)C3=NSNC3=O)C2)S1	REAL300031448524	1	41	-1.0	-60.34	374.56	-2.15	-62.49
O=C(N[C@@H]1CC[C@H](CNC(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C([O-])C=C1	REAL300031448616	1	44	-1.0	-56.08	385.28	1.15	-54.93
O=C(N[C@@H]1CC[C@H](CNC(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300031448635	0	41	-1.0	-66.98	383.17	-0.69	-67.67
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=NSNC1=O	REAL300031448656	1	41	-1.0	-51.46	377.76	1.07	-50.39
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CC(=O)NC([O-])=C2)C1)C1=NSNC1=O	REAL300031448676	0	42	-1.0	-52.67	371.07	-3.08	-55.75
CCN1[N-]C(C(=O)N[C@@H]2CC[C@H](CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031448733	0	45	-1.0	-57.95	392.16	0.40	-57.55
CN1[N-]C(C(=O)N[C@@H]2CC[C@H](CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031448752	0	42	-1.0	-57.20	370.43	-0.52	-57.72
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CC[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300031448762	0	42	-1.0	-57.87	384.93	-2.41	-60.28
O=C(CC1=CC(=O)N[N-]1)N[C@@H]1CC[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300031448889	1	42	-1.0	-62.04	368.35	-1.61	-63.65
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CC=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300031448894	1	42	-1.0	-58.05	371.15	1.38	-56.67
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300031448940	0	42	-1.0	-58.86	377.35	1.44	-57.42
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300031448945	0	41	-1.0	-63.20	373.99	1.50	-61.70
CC1=C(CC(=O)N[C@@H]2CC[C@H](CNC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300031448960	0	48	-1.0	-63.45	410.93	0.84	-62.61
CC1=CN=C(C(=O)N[C@@H]2CC[C@H](CNC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300031448996	1	44	-1.0	-67.44	381.11	1.84	-65.60
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CC([O-])=CS2)C1)C1=NSNC1=O	REAL300031449017	0	39	-1.0	-63.00	357.22	0.21	-62.79
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CN([O-])C(=O)C=C2)C1)C1=NSNC1=O	REAL300031449033	0	42	-1.0	-71.18	370.33	1.81	-69.37
CN1[N-]C(C(=O)NC[C@H]2CC[C@@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031449185	0	42	-1.0	-53.78	370.43	-0.53	-54.31
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CC[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031449192	0	42	-1.0	-57.67	384.68	-2.41	-60.08
O=C(N[C@@H]1CC[C@H](CNC(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300031449341	0	40	-1.0	-55.08	360.73	-5.29	-60.37
O=C(N[C@@H]1CC[C@H](CNC(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300031449341	1	40	-1.0	-49.42	361.47	-4.55	-53.97
O=C(CN1[N-]C(=O)C=CC1=O)NC[C@H]1CC[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031449480	0	44	-1.0	-58.52	389.49	-1.67	-60.19
O=C(NC[C@H]1CC[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300031449487	0	38	-1.0	-56.01	342.35	-1.76	-57.77
O=C(N[C@@H]1CC[C@H](CNC(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=NSNC1=O	REAL300031449498	0	42	-1.0	-52.24	373.09	-0.54	-52.78
CC1CC2(CN1C(=O)C1=COC(=O)[N-]1)CCN(C(=O)C1=NSNC1=O)CC2	REAL300031449843	1	45	-1.0	-54.30	362.60	1.23	-53.07
CC1CC2(CN1C(=O)C1=CC(=O)N[N-]1)CCN(C(=O)C1=NSNC1=O)CC2	REAL300031449914	0	46	-1.0	-55.01	367.46	1.49	-53.52
CC1CC2(CN1C(=O)C1=NC(=O)N[N-]1)CCN(C(=O)C1=NSNC1=O)CC2	REAL300031449970	0	45	-1.0	-55.79	362.21	0.61	-55.18
CC1CC2(CN1C(=O)C1=NSNC1=O)CCN(C(=O)C1=COC(=O)[N-]1)CC2	REAL300031450317	1	45	-1.0	-50.65	362.45	1.56	-49.09
CC1CC2(CN1C(=O)C1=NSNC1=O)CCN(C(=O)C1=CC(=O)N[N-]1)CC2	REAL300031450371	0	46	-1.0	-50.06	370.08	1.72	-48.34
CC1CC2(CN1C(=O)C1=NSNC1=O)CCN(C(=O)C1=NNC(=O)[N-]1)CC2	REAL300031450384	0	45	-1.0	-54.44	361.97	-0.00	-54.44
CC1CC2(CN1C(=O)C1=NSNC1=O)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300031450533	0	45	-1.0	-54.88	365.03	1.78	-53.10
CC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCN(C(=O)C1=NSNC1=O)CC2	REAL300031450685	0	45	-1.0	-58.69	362.54	1.69	-57.00
CC1CCCN(C(=O)C2=COC(=O)[N-]2)C1CCNC(=O)C1=NSNC1=O	REAL300031451733	1	44	-1.0	-56.14	356.86	-0.20	-56.34
CC1CCCN(C(=O)CC2=CC(=O)N[N-]2)C1CCNC(=O)C1=NSNC1=O	REAL300031451802	1	48	-1.0	-65.23	386.14	0.19	-65.04
CC1CCCN(C(=O)C2=NN(C)C(=O)[N-]2)C1CCNC(=O)C1=NSNC1=O	REAL300031451808	0	47	-1.0	-66.30	379.20	-0.09	-66.39
CC1CCCN(C(=O)C2=C[N-]N=CC2=O)C1CCNC(=O)C1=NSNC1=O	REAL300031451834	0	46	-1.0	-49.27	367.91	1.10	-48.17
CC1CCCN(C(=O)C2=CC(=O)N[N-]2)C1CCNC(=O)C1=NSNC1=O	REAL300031451865	0	45	-1.0	-49.22	362.60	0.28	-48.94
CC1CCCN(C(=O)C2=NC(=O)N[N-]2)C1CCNC(=O)C1=NSNC1=O	REAL300031452005	0	44	-1.0	-57.34	356.52	-0.86	-58.20
CC1CCCN(C(=O)C2=NSNC2=O)C1CCNC(=O)C1=NC=CC=C1[O-]	REAL300031452286	1	47	-1.0	-73.92	373.93	2.94	-70.98
CC1CCCN(C(=O)C2=NSNC2=O)C1CCNC(=O)C1=COC(=O)[N-]1	REAL300031452753	1	44	-1.0	-58.38	357.06	-1.51	-59.89
CC1CCCN(C(=O)C2=NSNC2=O)C1CCNC(=O)C1=C[N-]N=CC1=O	REAL300031452820	0	46	-1.0	-54.26	366.11	1.64	-52.62
CC1CCCN(C(=O)C2=NSNC2=O)C1CCNC(=O)C1=CC(=O)N[N-]1	REAL300031452877	0	45	-1.0	-58.27	361.88	-0.53	-58.80
CC1CCCN(C(=O)C2=NSNC2=O)C1CCNC(=O)C1=NC(=O)N[N-]1	REAL300031452910	0	44	-1.0	-57.88	356.47	-1.81	-59.69
CC1CCCN(C(=O)C2=NSNC2=O)C1CCNC(=O)C1=CN=CC([O-])=C1	REAL300031453015	1	47	-1.0	-62.73	373.89	1.20	-61.53
CC1CCCN(C(=O)C2=NSNC2=O)C1CCNC(=O)C1=NN(C)C(=O)[N-]1	REAL300031453119	0	47	-1.0	-64.78	379.51	-0.35	-65.13
CC1CCCN(C(=O)C2=NSNC2=O)C1CCNC(=O)C1=CC=NC=C1[O-]	REAL300031453239	1	47	-1.0	-71.66	372.29	2.79	-68.87
CC1CCCN(C(=O)C2=NSNC2=O)C1CCNC(=O)C1=CC(=O)[N-]O1	REAL300031453241	0	44	-1.0	-60.25	356.62	-0.04	-60.29
CC1CCCN(C(=O)C2=NSNC2=O)C1CCNC(=O)C1=CC(=O)N(C)[N-]1	REAL300031453323	0	48	-1.0	-61.25	384.70	1.19	-60.06
CC1CCCN(C(=O)C2=NSNC2=O)C1CCNC(=O)CC1=CC(=O)N[N-]1	REAL300031453368	1	48	-1.0	-64.80	382.55	0.11	-64.69
CC1CCCN(C(=O)C2=NSNC2=O)C1CCNC(=O)C1=CC([O-])=CS1	REAL300031453411	0	45	-1.0	-66.19	371.41	1.92	-64.27
CC1CCCN(C(=O)C2=CC(=O)N(C)[N-]2)C1CCNC(=O)C1=NSNC1=O	REAL300031453462	0	48	-1.0	-51.72	385.34	1.97	-49.75
CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1CCNC(=O)C1=NSNC1=O	REAL300031453551	0	44	-1.0	-64.25	356.69	-0.35	-64.60
CCO[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031454220	1	42	-1.0	-53.82	373.00	-1.93	-55.75
CCO[C@@H]1CN(C(=O)CC2=CC(=O)N[N-]2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031454292	1	46	-1.0	-60.20	402.52	-1.38	-61.58
CCO[C@@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031454300	0	45	-1.0	-59.42	396.10	-1.65	-61.07
CCO[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031454325	0	44	-1.0	-52.26	392.76	-0.26	-52.52
CCO[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031454359	0	43	-1.0	-56.06	377.62	-1.71	-57.77
CCO[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031454509	0	42	-1.0	-52.00	373.53	-2.62	-54.62
CCO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=NC=CC=C1[O-]	REAL300031454793	1	45	-1.0	-66.05	389.89	1.70	-64.35
CCO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=COC(=O)[N-]1	REAL300031455232	1	42	-1.0	-56.75	373.87	-2.78	-59.53
CCO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=C[N-]N=CC1=O	REAL300031455294	0	44	-1.0	-51.15	382.07	0.39	-50.76
CCO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC(=O)N[N-]1	REAL300031455348	0	43	-1.0	-55.87	378.70	-1.79	-57.66
CCO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=NC(=O)N[N-]1	REAL300031455377	0	42	-1.0	-56.21	373.29	-3.07	-59.28
CCO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CN=CC([O-])=C1	REAL300031455472	1	45	-1.0	-64.39	389.69	0.08	-64.31
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CCO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300031455676	0	42	-1.0	-60.06	373.52	-1.33	-61.39
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CCO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)CC1=CC(=O)N[N-]1	REAL300031455790	1	46	-1.0	-65.17	398.52	-1.08	-66.25
CCO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC([O-])=CS1	REAL300031455828	0	43	-1.0	-64.94	387.87	0.67	-64.27
CCO[C@@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031455880	0	46	-1.0	-58.71	400.36	0.00	-58.71
CCO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031455972	0	42	-1.0	-57.21	373.64	-1.67	-58.88
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CCN1[N-]C(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300031457120	0	48	-1.0	-55.86	393.98	3.21	-52.65
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CC1=C([O-])N=C(C(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)C2=NSNC2=O)S1	REAL300031457278	1	44	-1.0	-57.82	376.40	1.29	-56.53
C[C@@H]1CCN(C(=O)C2=CC(=O)N([O-])C=C2)[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300031457289	0	45	-1.0	-72.92	373.72	4.01	-68.91
C[C@@H]1CCN(C(=O)C2=CC=CC(=O)N2[O-])[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300031457308	0	45	-1.0	-58.56	372.63	4.33	-54.23
C[C@@H]1CCN(C(=O)CC2=NC([O-])=CS2)[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300031457392	0	44	-1.0	-78.34	379.69	0.25	-78.09
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C[C@@H]1CCN(C(=O)C2=NSNC2=O)[C@H](CNC(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300031459748	1	45	-1.0	-61.81	368.23	1.09	-60.72
C[C@@H]1CCN(C(=O)C2=NSNC2=O)[C@H](CNC(=O)C2=CC=NC=C2[O-])C1	REAL300031459824	1	44	-1.0	-76.12	359.96	3.54	-72.58
C[C@@H]1CCN(C(=O)C2=NSNC2=O)[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300031459829	0	41	-1.0	-62.88	344.66	0.79	-62.09
CC1=C([O-])N=C(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)C2=NSNC2=O)S1	REAL300031459844	1	44	-1.0	-63.92	376.71	0.44	-63.48
C[C@@H]1CCN(C(=O)C2=NSNC2=O)[C@H](CNC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300031459936	0	45	-1.0	-56.62	373.07	-0.50	-57.12
CCN1[N-]C(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300031459974	0	48	-1.0	-65.54	394.27	2.96	-62.58
C[C@@H]1CCN(C(=O)C2=NSNC2=O)[C@H](CNC(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300031459990	0	45	-1.0	-65.92	372.66	1.92	-64.00
C[C@@H]1CCN(C(=O)C2=NSNC2=O)[C@H](CNC(=O)CC2=CC(=O)N[N-]2)C1	REAL300031460068	1	45	-1.0	-68.26	370.33	0.95	-67.31
C[C@@H]1CCN(C(=O)C2=NSNC2=O)[C@H](CNC(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300031460072	1	45	-1.0	-61.21	373.09	3.92	-57.29
CC1=CN=C(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)C2=NSNC2=O)C([O-])=C1	REAL300031460128	1	47	-1.0	-79.29	383.44	4.41	-74.88
C[C@@H]1CCN(C(=O)C2=NSNC2=O)[C@H](CNC(=O)C2=CC([O-])=CS2)C1	REAL300031460140	0	42	-1.0	-68.91	359.15	2.78	-66.13
C[C@@H]1CCN(C(=O)C2=NSNC2=O)[C@H](CNC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300031460151	0	45	-1.0	-73.90	372.56	4.38	-69.52
C[C@@H]1CCN(C(=O)C2=CC(=O)N(C)[N-]2)[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300031460234	0	45	-1.0	-55.03	372.17	2.27	-52.76
C[C@@H]1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300031460302	0	43	-1.0	-47.86	363.49	-1.13	-48.99
C[C@@H]1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300031460302	1	43	-1.0	-47.86	363.49	-1.13	-48.99
C[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300031460391	0	41	-1.0	-57.14	344.35	0.65	-56.49
C[C@@H]1CCCN(C(=O)C2=COC(=O)N2)[C@@H]1CCCNC(=O)C1=NSNC1=O	REAL300031460702	0	47	-1.0	-56.02	379.71	1.15	-54.87
C[C@@H]1CCCN(C(=O)C2=COC(=O)[N-]2)[C@@H]1CCCNC(=O)C1=NSNC1=O	REAL300031460702	1	47	-1.0	-56.02	379.71	1.15	-54.87
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C[C@@H]1CCCN(C(=O)C2=NSNC2=O)[C@@H]1CCCNC(=O)C1=CC(=O)N[N-]1	REAL300031461214	0	48	-1.0	-55.58	384.50	0.87	-54.71
C[C@@H]1CCCN(C(=O)C2=NSNC2=O)[C@@H]1CCCNC(=O)C1=NC(=O)N[N-]1	REAL300031461224	0	47	-1.0	-54.09	379.10	-0.41	-54.50
C[C@@H]1CCCN(C(=O)C2=NSNC2=O)[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300031461370	0	47	-1.0	-58.63	379.25	1.36	-57.27
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CC[C@@H]1[C@@H](NC(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)C1=NSNC1=O	REAL300031472387	0	44	-1.0	-49.40	373.76	0.55	-48.85
CC[C@@H]1[C@@H](NC(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)C1=NSNC1=O	REAL300031472418	0	42	-1.0	-62.10	359.08	3.13	-58.97
CC[C@@H]1[C@@H](NC(=O)C2=NC(=O)C(C)S2)CCN1C(=O)C1=NSNC1=O	REAL300031472446	0	41	-1.0	-58.10	366.37	-0.84	-58.94
CC[C@@H]1[C@@H](NC(=O)C2=NC([O-])=C(C)S2)CCN1C(=O)C1=NSNC1=O	REAL300031472446	1	41	-1.0	-58.10	366.37	-0.84	-58.94
CC[C@@H]1[C@@H](NC(=O)C2=CC(=O)C=C(Cl)N2)CCN1C(=O)C1=NSNC1=O	REAL300031472460	0	41	-1.0	-47.31	369.63	2.35	-44.96
CC[C@@H]1[C@@H](NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300031472460	1	41	-1.0	-47.31	369.63	2.35	-44.96
CC[C@@H]1[C@@H](NC(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)C1=NSNC1=O	REAL300031472477	0	42	-1.0	-67.59	361.82	2.96	-64.63
CC[C@@H]1[C@@H](NC(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)C1=NSNC1=O	REAL300031472510	0	42	-1.0	-78.31	359.04	3.95	-74.36
CC[C@@H]1[C@@H](NC(=O)CC2=C([O-])N=C(N)S2)CCN1C(=O)C1=NSNC1=O	REAL300031472633	0	43	-1.0	-68.48	380.10	-2.07	-70.55
CC[C@@H]1[C@@H](NC(=O)CC2=NC([O-])=CS2)CCN1C(=O)C1=NSNC1=O	REAL300031472678	0	41	-1.0	-70.34	366.06	-1.04	-71.38
CCC1=NC=C(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2CC)C(=O)N1	REAL300031472696	0	46	-1.0	-49.04	383.98	1.41	-47.63
CCC1=NC=C(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)[C@@H]2CC)C(=O)[N-]1	REAL300031472696	1	46	-1.0	-49.04	383.98	1.41	-47.63
CC[C@@H]1[C@@H](NC(=O)C2=N[N-]C(C)=CC2=O)CCN1C(=O)C1=NSNC1=O	REAL300031472907	0	43	-1.0	-51.83	367.47	2.68	-49.15
CC[C@@H]1[C@@H](NC(=O)C2=NNC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300031472922	0	38	-1.0	-53.55	334.09	-2.42	-55.97
CC[C@@H]1[C@@H](NC(=O)C2=CN=C(C=N[O-])S2)CCN1C(=O)C1=NSNC1=O	REAL300031473033	0	41	-1.0	-63.87	374.26	0.51	-63.36
CC[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]C(OC)=N2)CCN1C(=O)C1=NSNC1=O	REAL300031473046	0	44	-1.0	-54.22	379.67	-3.05	-57.27
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300031473302	1	41	-1.0	-61.22	350.60	2.53	-58.69
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300031473415	0	40	-1.0	-55.32	352.27	-3.15	-58.47
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300031473553	0	42	-1.0	-56.35	369.27	-1.64	-57.99
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300031474655	1	42	-1.0	-57.45	364.50	3.71	-53.74
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300031474678	1	43	-1.0	-47.08	370.16	2.20	-44.88
CCC1=NC=C(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)[C@H]2CC)C(=O)[N-]1	REAL300031474745	1	46	-1.0	-47.25	383.16	0.57	-46.68
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=COC(=O)[N-]1	REAL300031474760	1	38	-1.0	-49.05	334.07	-1.18	-50.23
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300031474826	0	41	-1.0	-48.55	371.56	-1.44	-49.99
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300031474827	0	43	-1.0	-69.45	385.07	-2.17	-71.62
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C=C1F	REAL300031474846	1	42	-1.0	-53.56	355.13	1.98	-51.58
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300031474852	0	41	-1.0	-51.62	359.82	1.42	-50.20
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300031474858	1	43	-1.0	-49.41	369.26	2.29	-47.12
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300031474861	0	41	-1.0	-54.61	360.47	1.79	-52.82
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300031474873	0	43	-1.0	-60.22	378.34	-2.86	-63.08
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(C)=CC=C1[O-]	REAL300031474927	1	44	-1.0	-63.11	373.04	3.28	-59.83
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300031474944	0	40	-1.0	-41.95	336.72	0.40	-41.55
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300031474951	0	42	-1.0	-65.55	353.97	3.17	-62.38
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC([O-])=C1F	REAL300031475026	1	42	-1.0	-64.58	354.29	1.97	-62.61
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300031475108	0	39	-1.0	-50.92	340.80	-1.04	-51.96
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300031475113	0	44	-1.0	-50.13	374.10	0.31	-49.82
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300031475187	0	42	-1.0	-67.48	355.10	2.39	-65.09
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300031475211	0	38	-1.0	-48.40	333.40	-1.92	-50.32
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300031475216	0	42	-1.0	-59.62	354.80	2.38	-57.24
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(F)=CC=C1O	REAL300031475351	0	42	-1.0	-56.95	354.20	3.25	-53.70
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300031475351	1	42	-1.0	-56.95	354.20	3.25	-53.70
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC=CC(C)=C1O	REAL300031475409	0	44	-1.0	-60.87	371.06	3.28	-57.59
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC=CC(C)=C1[O-]	REAL300031475409	1	44	-1.0	-60.87	371.06	3.28	-57.59
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=CC(O)=C1	REAL300031475501	0	41	-1.0	-55.90	344.09	0.04	-55.86
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=CC([O-])=C1	REAL300031475501	1	41	-1.0	-55.90	344.09	0.04	-55.86
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300031475511	0	42	-1.0	-82.77	363.97	4.16	-78.61
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300031475608	0	41	-1.0	-46.29	369.10	1.45	-44.84
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(O)C=C1Cl	REAL300031475645	0	42	-1.0	-52.26	363.43	2.41	-49.85
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300031475645	1	42	-1.0	-52.26	363.43	2.41	-49.85
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)CC1=NC([O-])=CS1	REAL300031475652	0	41	-1.0	-69.95	369.00	-1.36	-71.31
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300031475666	0	44	-1.0	-56.63	384.64	-0.64	-57.27
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300031475742	0	42	-1.0	-49.23	376.73	-2.10	-51.33
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300031475762	0	42	-1.0	-56.18	360.88	2.03	-54.15
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300031475768	0	42	-1.0	-60.20	363.80	3.71	-56.49
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=N[N-]C(C)=CC1=O	REAL300031475791	0	43	-1.0	-53.99	369.42	2.73	-51.26
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300031475810	0	42	-1.0	-79.55	352.86	3.13	-76.42
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300031475831	0	42	-1.0	-47.94	366.24	0.32	-47.62
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300031475872	0	41	-1.0	-56.88	356.94	-0.78	-57.66
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(C#N)C=C1[O-]	REAL300031475911	0	43	-1.0	-57.65	369.26	3.55	-54.10
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300031475918	0	43	-1.0	-53.84	367.46	3.66	-50.18
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300031475992	0	42	-1.0	-51.15	363.04	-0.29	-51.44
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300031476035	1	42	-1.0	-53.09	355.32	1.90	-51.19
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300031476050	1	42	-1.0	-59.64	365.22	3.67	-55.97
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300031476106	0	40	-1.0	-46.99	353.05	-2.62	-49.61
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300031476106	1	40	-1.0	-46.99	353.05	-2.62	-49.61
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(N)NC1=O	REAL300031476149	0	42	-1.0	-48.32	353.12	-0.88	-49.20
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300031476149	1	42	-1.0	-48.32	353.12	-0.88	-49.20
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300031476224	0	41	-1.0	-57.54	366.82	3.06	-54.48
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300031476268	0	38	-1.0	-53.33	333.92	-0.95	-54.28
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)C(C)S1	REAL300031476286	0	41	-1.0	-56.68	366.13	-0.26	-56.94
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC([O-])=C(C)S1	REAL300031476286	1	41	-1.0	-56.68	366.13	-0.26	-56.94
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C(=O)C1=CC=C(O)C=C1	REAL300031476369	0	44	-1.0	-53.40	377.02	2.20	-51.20
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300031476369	1	44	-1.0	-53.40	377.02	2.20	-51.20
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300031476385	0	41	-1.0	-64.79	367.29	-0.20	-64.99
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)C=C(Cl)N1	REAL300031476402	0	41	-1.0	-46.00	368.61	2.41	-43.59
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031476402	1	41	-1.0	-46.00	368.61	2.41	-43.59
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300031476420	0	42	-1.0	-49.64	355.65	-2.49	-52.13
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N(CC)[N-]1	REAL300031476474	0	45	-1.0	-52.76	383.47	1.55	-51.21
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300031476488	0	42	-1.0	-51.93	361.66	0.63	-51.30
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300031476497	0	42	-1.0	-54.77	380.60	-1.36	-56.13
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)CC1=CC(=O)NN1	REAL300031476599	0	42	-1.0	-59.07	363.52	-0.54	-59.61
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)CC1=CC(=O)N[N-]1	REAL300031476599	1	42	-1.0	-59.07	363.52	-0.54	-59.61
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(O)C(F)=C1	REAL300031476604	0	42	-1.0	-54.39	355.28	1.93	-52.46
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300031476604	1	42	-1.0	-54.39	355.28	1.93	-52.46
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300031476640	0	42	-1.0	-55.75	361.89	2.02	-53.73
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300031476644	0	41	-1.0	-58.89	359.78	1.80	-57.09
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC=C(C)C=C1O	REAL300031476693	0	44	-1.0	-62.73	372.24	3.20	-59.53
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC=C(C)C=C1[O-]	REAL300031476693	1	44	-1.0	-62.73	372.24	3.20	-59.53
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CS1	REAL300031476712	0	39	-1.0	-61.46	340.89	0.75	-60.71
CC[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300031476725	0	42	-1.0	-66.55	355.08	2.42	-64.13
CC[C@@H]1[C@@H](NC(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300031476874	0	42	-1.0	-51.90	361.56	0.61	-51.29
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300031476881	0	42	-1.0	-55.98	376.44	-1.13	-57.11
CC[C@@H]1[C@@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=NSNC1=O	REAL300031477030	0	40	-1.0	-54.34	352.07	-4.12	-58.46
CC[C@@H]1[C@@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300031477030	1	40	-1.0	-47.22	352.81	-3.32	-50.54
CC[C@@H]1[C@@H](NC(=O)CN2[N-]C(=O)C=CC2=O)CCN1C(=O)C1=NSNC1=O	REAL300031477169	0	44	-1.0	-55.16	380.52	-0.53	-55.69
CC[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NSNC1=O	REAL300031477176	0	38	-1.0	-54.40	333.69	-0.61	-55.01
CC[C@@H]1[C@@H](NC(=O)C2=CN([O-])C(=O)NC2=O)CCN1C(=O)C1=NSNC1=O	REAL300031477187	0	42	-1.0	-51.34	364.05	0.59	-50.75
O=C(C1=NSNC1=O)N(CCO)C1CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300031477895	1	42	-1.0	-56.59	349.59	-1.70	-58.29
O=C(CC1=CC(=O)N[N-]1)N1CCCC(N(CCO)C(=O)C2=NSNC2=O)C1	REAL300031477967	1	46	-1.0	-65.16	378.54	-1.38	-66.54
CN1N=C(C(=O)N2CCCC(N(CCO)C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031477975	0	45	-1.0	-60.04	370.00	-1.05	-61.09
O=C(C1=NSNC1=O)N(CCO)C1CCCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300031478000	0	44	-1.0	-51.96	357.72	0.09	-51.87
O=C(C1=NSNC1=O)N(CCO)C1CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300031478034	0	43	-1.0	-54.99	352.83	-1.21	-56.20
O=C(C1=NSNC1=O)N(CCO)C1CCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300031478184	0	42	-1.0	-53.29	347.30	-1.82	-55.11
O=C(C1=NC=CC=C1[O-])N(CCO)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031478468	1	45	-1.0	-68.16	365.99	2.00	-66.16
O=C(C1=COC(=O)[N-]1)N(CCO)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031478827	1	42	-1.0	-53.63	349.67	-1.35	-54.98
O=C(C1=C[N-]N=CC1=O)N(CCO)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031478886	0	44	-1.0	-51.68	350.17	-0.76	-52.44
O=C(C1=CC(=O)N[N-]1)N(CCO)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031478932	0	43	-1.0	-55.27	354.56	-1.81	-57.08
O=C(C1=NNC(=O)[N-]1)N(CCO)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031478955	0	42	-1.0	-58.68	348.37	-3.32	-62.00
O=C(C1=CN=CC([O-])=C1)N(CCO)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031479037	1	45	-1.0	-66.26	370.03	-0.75	-67.01
CN1N=C(C(=O)N(CCO)C2CCCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031479115	0	45	-1.0	-61.65	371.19	-1.66	-63.31
O=C(C1=CC=NC=C1[O-])N(CCO)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031479205	0	45	-1.0	-72.15	369.38	-0.51	-72.66
O=C(C1=CC(=O)[N-]O1)N(CCO)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031479207	0	42	-1.0	-63.94	348.67	-0.88	-64.82
CN1[N-]C(C(=O)N(CCO)C2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031479273	0	46	-1.0	-57.79	376.30	-0.08	-57.87
O=C(CC1=CC(=O)N[N-]1)N(CCO)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031479304	1	46	-1.0	-64.04	375.73	-1.27	-65.31
O=C(C1=CC([O-])=CS1)N(CCO)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031479334	0	43	-1.0	-76.48	356.64	0.23	-76.25
CN1[N-]C(C(=O)N2CCCC(N(CCO)C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031479383	0	46	-1.0	-57.62	375.90	0.51	-57.11
O=C(C1=NSNC1=O)N(CCO)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300031479475	0	42	-1.0	-59.48	349.48	-1.74	-61.22
O=C(C1=NSNC1=O)N1CC[C@@H]2CN(C(=O)C3=NNC(=O)[N-]C3=O)C[C@@H]2C1	REAL300031480262	0	41	-1.0	-58.41	344.44	-1.73	-60.14
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)CC[C@@H]2C1	REAL300031480313	0	43	-1.0	-62.65	363.10	0.00	-62.65
O=C(C1=CN([O-])C(=O)C=C1)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)CC[C@@H]2C1	REAL300031480693	0	43	-1.0	-64.92	364.15	4.10	-60.82
O=C(C1=NSNC1=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)NC([O-])=C3)C[C@@H]2C1	REAL300031480772	0	43	-1.0	-62.55	366.12	-0.30	-62.85
O=C(C1=COC(=O)[N-]1)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)CC[C@@H]2C1	REAL300031480783	1	39	-1.0	-50.62	328.25	0.21	-50.41
CCN1[N-]C(C(=O)N2C[C@@H]3CN(C(=O)C4=NSNC4=O)CC[C@@H]3C2)=CC1=O	REAL300031480900	0	46	-1.0	-56.67	377.67	2.99	-53.68
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)CC[C@@H]2C1	REAL300031480907	1	43	-1.0	-64.22	358.26	1.11	-63.11
CN1N=C(C(=O)N2C[C@H]3CCN(C(=O)C4=NSNC4=O)C[C@H]3C2)[N-]C1=O	REAL300031480930	0	42	-1.0	-60.53	350.51	0.49	-60.04
O=C(C1=NSNC1=O)N1CC[C@@H]2CN(C(=O)C3=C[N-]N=CC3=O)C[C@@H]2C1	REAL300031480987	0	41	-1.0	-62.00	349.08	2.48	-59.52
O=C(C1=CC(=O)N[N-]1)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)CC[C@@H]2C1	REAL300031481052	0	40	-1.0	-56.16	334.32	0.48	-55.68
C[PH](C)([O-])C(=O)C(=O)N1C[C@H]2CCN(C(=O)C3=NSNC3=O)C[C@H]2C1	REAL300031481057	0	45	-1.0	-56.18	373.04	1.69	-54.49
O=C(C1=CC=CN([O-])C1=O)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)CC[C@@H]2C1	REAL300031481081	0	43	-1.0	-87.96	365.25	4.23	-83.73
CC1SC(C(=O)N2C[C@H]3CCN(C(=O)C4=NSNC4=O)C[C@H]3C2)=NC1=O	REAL300031481102	0	42	-1.0	-57.22	359.71	1.00	-56.22
CC1=C([O-])N=C(C(=O)N2C[C@H]3CCN(C(=O)C4=NSNC4=O)C[C@H]3C2)S1	REAL300031481102	1	42	-1.0	-57.22	359.71	1.00	-56.22
O=C(C1=CC(=O)N([O-])C=C1)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)CC[C@@H]2C1	REAL300031481118	0	43	-1.0	-68.42	365.93	4.27	-64.15
O=C(C1=CC=CC(=O)N1[O-])N1C[C@@H]2CN(C(=O)C3=NSNC3=O)CC[C@@H]2C1	REAL300031481143	0	43	-1.0	-81.70	364.79	4.37	-77.33
O=C(CC1=NC([O-])=CS1)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)CC[C@@H]2C1	REAL300031481257	0	42	-1.0	-72.02	364.06	0.19	-71.83
CC1=CC(=O)C(C(=O)N2C[C@H]3CCN(C(=O)C4=NSNC4=O)C[C@H]3C2)=N[N-]1	REAL300031481411	0	44	-1.0	-59.30	362.68	4.37	-54.93
O=C(C1=NC(=O)N[N-]1)N1C[C@H]2CCN(C(=O)C3=NSNC3=O)C[C@H]2C1	REAL300031481421	0	39	-1.0	-52.18	327.76	-0.42	-52.60
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=NC=CC=C3O)C[C@H]2C1	REAL300031481763	0	42	-1.0	-64.60	347.35	4.53	-60.07
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=NC=CC=C3[O-])C[C@H]2C1	REAL300031481763	1	42	-1.0	-64.60	347.35	4.53	-60.07
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=NNC(=O)[N-]C3=O)C[C@H]2C1	REAL300031481861	0	41	-1.0	-54.29	350.22	-3.04	-57.33
O=C(CN1C(=O)[N-]NC1=O)N1CC[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300031481953	0	43	-1.0	-56.96	363.10	-0.06	-57.02
N#CC1=CC([O-])=CC(C(=O)N2CC[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=C1	REAL300031482763	1	44	-1.0	-50.48	375.70	3.96	-46.52
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=COC(=O)[N-]3)C[C@H]2C1	REAL300031482830	1	39	-1.0	-45.26	329.17	0.69	-44.57
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=CC=C([O-])C=C3F)C[C@H]2C1	REAL300031482899	1	43	-1.0	-58.54	361.76	3.91	-54.63
O=C(C1=NSNC1=O)N1C[C@@H]2CN(C(=O)C3=CC([O-])=CC(=O)O3)CC[C@@H]2C1	REAL300031482903	0	42	-1.0	-55.69	356.63	3.26	-52.43
N#CC1=CC=C(C(=O)N2CC[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)C=C1[O-]	REAL300031482906	1	44	-1.0	-61.19	375.00	4.02	-57.17
CC1=CC=C([O-])C(C(=O)N2CC[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=N1	REAL300031482957	1	45	-1.0	-64.05	366.45	4.72	-59.33
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=C[N-]N=CC3=O)C[C@H]2C1	REAL300031482968	0	41	-1.0	-45.15	344.55	2.00	-43.15
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=CC=CC(F)=C3[O-])C[C@H]2C1	REAL300031482975	0	43	-1.0	-68.63	361.81	4.55	-64.08
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=CC=CC([O-])=C3F)C[C@H]2C1	REAL300031483039	1	43	-1.0	-68.66	362.10	3.94	-64.72
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=CC(=O)N[N-]3)C[C@H]2C1	REAL300031483111	0	40	-1.0	-50.20	335.24	0.92	-49.28
C[PH](C)([O-])C(=O)C(=O)N1CC[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300031483116	0	45	-1.0	-50.87	367.56	1.49	-49.38
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=CC(=O)N([O-])C=C3)C[C@H]2C1	REAL300031483166	0	43	-1.0	-69.38	365.13	4.26	-65.12
O=C(C1=NSNC1=O)N1C[C@@H]2CN(C(=O)C3=NNC(=O)[N-]3)CC[C@@H]2C1	REAL300031483183	0	39	-1.0	-53.44	328.77	-0.89	-54.33
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=CC=CN([O-])C3=O)C[C@H]2C1	REAL300031483188	0	43	-1.0	-71.51	364.83	4.50	-67.01
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=CC(F)=CC=C3O)C[C@H]2C1	REAL300031483294	0	43	-1.0	-59.29	362.90	3.80	-55.49
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=CC(F)=CC=C3[O-])C[C@H]2C1	REAL300031483294	1	43	-1.0	-59.29	362.90	3.80	-55.49
CC1=CC=NC(C(=O)N2CC[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=C1O	REAL300031483336	0	45	-1.0	-62.84	365.18	4.84	-58.00
CC1=CC=NC(C(=O)N2CC[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=C1[O-]	REAL300031483336	1	45	-1.0	-62.84	365.18	4.84	-58.00
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=CN=CC(O)=C3)C[C@H]2C1	REAL300031483396	0	42	-1.0	-59.95	350.56	1.98	-57.97
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=CN=CC([O-])=C3)C[C@H]2C1	REAL300031483396	1	42	-1.0	-59.95	350.56	1.98	-57.97
O=C(CC1=NC([O-])=CS1)N1CC[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300031483489	0	42	-1.0	-69.83	364.05	0.29	-69.54
CC1=CC(=O)C(C(=O)N2CC[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=N[N-]1	REAL300031483595	0	44	-1.0	-53.62	362.73	4.34	-49.28
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=CC=CC(=O)N3[O-])C[C@H]2C1	REAL300031483610	0	43	-1.0	-72.32	363.51	4.27	-68.05
CN1N=C(C(=O)N2CC[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)[N-]C1=O	REAL300031483656	0	42	-1.0	-56.65	350.61	0.52	-56.13
N#CC1=CC=C([O-])C(C(=O)N2CC[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=C1	REAL300031483695	0	44	-1.0	-56.27	377.42	4.13	-52.14
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=CC=C(F)C(O)=C3)C[C@H]2C1	REAL300031483785	0	43	-1.0	-56.48	360.67	3.59	-52.89
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=CC=C(F)C([O-])=C3)C[C@H]2C1	REAL300031483785	1	43	-1.0	-56.48	360.67	3.59	-52.89
O=C(C1=NSNC1=O)N1C[C@@H]2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)CC[C@@H]2C1	REAL300031483835	0	41	-1.0	-49.94	348.51	-1.53	-51.47
O=C(C1=NSNC1=O)N1C[C@@H]2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)CC[C@@H]2C1	REAL300031483835	1	41	-1.0	-45.37	347.61	-0.89	-46.26
NC1=NC=C(C(=O)N2CC[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)C(=O)[N-]1	REAL300031483871	1	43	-1.0	-51.22	354.82	0.92	-50.30
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=CC=NC=C3[O-])C[C@H]2C1	REAL300031483954	0	42	-1.0	-62.95	349.78	2.79	-60.16
O=C(C1=NSNC1=O)N1C[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]2C1	REAL300031483959	0	39	-1.0	-53.25	329.03	0.58	-52.67
CC1=C([O-])N=C(C(=O)N2CC[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)S1	REAL300031483975	1	42	-1.0	-51.89	359.89	1.21	-50.68
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=CC(=O)NC([O-])=C3)C[C@H]2C1	REAL300031484074	0	43	-1.0	-52.09	364.55	-0.64	-52.73
CCN1[N-]C(C(=O)N2CC[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=CC1=O	REAL300031484116	0	46	-1.0	-54.98	378.90	3.23	-51.75
CN1[N-]C(C(=O)N2CC[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=CC1=O	REAL300031484132	0	43	-1.0	-51.92	357.64	2.60	-49.32
O=C(CC1=CC(=O)N[N-]1)N1CC[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300031484213	1	43	-1.0	-59.63	358.20	1.00	-58.63
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=CC=C([O-])C(F)=C3)C[C@H]2C1	REAL300031484217	1	43	-1.0	-57.90	363.55	3.71	-54.19
CC1=CN=C(C(=O)N2CC[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)C([O-])=C1	REAL300031484279	1	45	-1.0	-65.02	371.28	4.64	-60.38
O=C(C1=NSNC1=O)N1C[C@@H]2CN(C(=O)C3=CC([O-])=CS3)CC[C@@H]2C1	REAL300031484292	0	40	-1.0	-65.36	344.09	2.71	-62.65
O=C(C1=NSNC1=O)N1C[C@H]2CCN(C(=O)C3=CN([O-])C(=O)C=C3)C[C@H]2C1	REAL300031484303	0	43	-1.0	-65.81	359.00	3.83	-61.98
CN1[N-]C(C(=O)N2C[C@@H]3CN(C(=O)C4=NSNC4=O)CC[C@@H]3C2)=CC1=O	REAL300031484400	0	43	-1.0	-55.62	355.82	2.06	-53.56
O=C(C1=NSNC1=O)N1CC[C@@H]2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C[C@@H]2C1	REAL300031484495	0	41	-1.0	-51.35	347.59	-1.18	-52.53
O=C(C1=NSNC1=O)N1CC[C@@H]2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C[C@@H]2C1	REAL300031484495	1	41	-1.0	-51.35	347.59	-1.18	-52.53
O=C(C1=CC(=O)[N-]O1)N1C[C@H]2CCN(C(=O)C3=NSNC3=O)C[C@H]2C1	REAL300031484601	0	39	-1.0	-58.94	329.32	0.62	-58.32
CN(CCOCCN(C)C(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031485289	0	43	-1.0	-59.82	378.15	-2.02	-61.84
CN(CCOCCN(C)C(=O)C1=CN([O-])C(=O)C=C1)C(=O)C1=NSNC1=O	REAL300031485641	0	45	-1.0	-66.87	397.17	3.67	-63.20
CN(CCOCCN(C)C(=O)C1=CC(=O)NC([O-])=C1)C(=O)C1=NSNC1=O	REAL300031485708	0	45	-1.0	-50.95	384.18	-0.85	-51.80
CN(CCOCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=COC(=O)[N-]1	REAL300031485717	1	41	-1.0	-51.55	361.68	0.14	-51.41
CCN1[N-]C(C(=O)N(C)CCOCCN(C)C(=O)C2=NSNC2=O)=CC1=O	REAL300031485813	0	48	-1.0	-54.70	406.92	3.37	-51.33
CN(CCOCCN(C)C(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300031485820	1	45	-1.0	-58.18	386.34	0.82	-57.36
CN(CCOCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=NN(C)C(=O)[N-]1	REAL300031485836	0	44	-1.0	-57.95	379.90	0.86	-57.09
CN(CCOCCN(C)C(=O)C1=C[N-]N=CC1=O)C(=O)C1=NSNC1=O	REAL300031485878	0	43	-1.0	-51.64	380.43	1.54	-50.10
CN(CCOCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N[N-]1	REAL300031485929	0	42	-1.0	-51.46	362.36	0.73	-50.73
CN(CCOCCN(C)C(=O)C1=NSNC1=O)C(=O)C(=O)[PH](C)(C)[O-]	REAL300031485934	0	47	-1.0	-66.99	394.66	2.57	-64.42
CN(CCOCCN(C)C(=O)C1=NSNC1=O)C(=O)CCC1=NNC(=O)[N-]1	REAL300031485951	0	47	-1.0	-57.89	405.54	-0.04	-57.93
CN(CCOCCN(C)C(=O)C1=CC=CN([O-])C1=O)C(=O)C1=NSNC1=O	REAL300031485953	0	45	-1.0	-65.48	387.91	4.25	-61.23
CN(CCOCCN(C)C(=O)C1=CC(=O)N([O-])C=C1)C(=O)C1=NSNC1=O	REAL300031485979	0	45	-1.0	-70.32	383.99	4.06	-66.26
CN(CCOCCN(C)C(=O)C1=CC=CC(=O)N1[O-])C(=O)C1=NSNC1=O	REAL300031485999	0	45	-1.0	-74.38	396.76	3.43	-70.95
CC1=CC(=O)C(C(=O)N(C)CCOCCN(C)C(=O)C2=NSNC2=O)=N[N-]1	REAL300031486208	0	46	-1.0	-52.81	391.25	4.20	-48.61
CN(CCOCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)N[N-]1	REAL300031486216	0	41	-1.0	-51.00	357.17	0.00	-51.00
CN(CCOCCN(C)C(=O)C1=NC=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300031486538	1	44	-1.0	-69.41	374.10	4.23	-65.18
CN(CCOCCN(C)C(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031486626	0	43	-1.0	-59.82	378.15	-2.02	-61.84
CN(CCOCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=COC(=O)[N-]1	REAL300031487387	1	41	-1.0	-51.55	361.68	0.14	-51.41
CN(CCOCCN(C)C(=O)C1=CC=C([O-])C=C1F)C(=O)C1=NSNC1=O	REAL300031487442	1	45	-1.0	-56.93	383.13	3.54	-53.39
CN(CCOCCN(C)C(=O)C1=CC([O-])=CC(=O)O1)C(=O)C1=NSNC1=O	REAL300031487445	0	44	-1.0	-53.33	382.64	3.11	-50.22
CC1=CC=C([O-])C(C(=O)N(C)CCOCCN(C)C(=O)C2=NSNC2=O)=N1	REAL300031487485	1	47	-1.0	-66.99	400.14	4.41	-62.58
CN(CCOCCN(C)C(=O)C1=NSNC1=O)C(=O)CCC1=NC(=O)[N-]N1	REAL300031487486	1	47	-1.0	-65.70	400.29	-0.12	-65.82
CN(CCOCCN(C)C(=O)C1=C[N-]N=CC1=O)C(=O)C1=NSNC1=O	REAL300031487494	0	43	-1.0	-51.64	380.43	1.54	-50.10
CN(CCOCCN(C)C(=O)C1=CC=CC(F)=C1[O-])C(=O)C1=NSNC1=O	REAL300031487501	0	45	-1.0	-70.17	390.86	3.82	-66.35
CN(CCOCCN(C)C(=O)C1=CC=CC([O-])=C1F)C(=O)C1=NSNC1=O	REAL300031487550	1	45	-1.0	-68.19	391.11	2.99	-65.20
CN(CCOCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N[N-]1	REAL300031487608	0	42	-1.0	-51.46	362.36	0.73	-50.73
CN(CCOCCN(C)C(=O)C1=NSNC1=O)C(=O)C(=O)[PH](C)(C)[O-]	REAL300031487613	0	47	-1.0	-66.99	394.66	2.57	-64.42
CN(CCOCCN(C)C(=O)C1=CC(=O)N([O-])C=C1)C(=O)C1=NSNC1=O	REAL300031487653	0	45	-1.0	-70.32	383.99	4.06	-66.26
CN(CCOCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)N[N-]1	REAL300031487667	0	41	-1.0	-51.00	357.17	0.00	-51.00
CN(CCOCCN(C)C(=O)C1=CC=CN([O-])C1=O)C(=O)C1=NSNC1=O	REAL300031487670	0	45	-1.0	-65.48	387.91	4.25	-61.23
CN(CCOCCN(C)C(=O)C1=CC(F)=CC=C1O)C(=O)C1=NSNC1=O	REAL300031487754	0	45	-1.0	-61.25	391.05	3.81	-57.44
CN(CCOCCN(C)C(=O)C1=CC(F)=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300031487754	1	45	-1.0	-61.25	391.05	3.81	-57.44
CC1=CC=NC(C(=O)N(C)CCOCCN(C)C(=O)C2=NSNC2=O)=C1O	REAL300031487793	0	47	-1.0	-65.65	398.86	4.51	-61.14
CC1=CC=NC(C(=O)N(C)CCOCCN(C)C(=O)C2=NSNC2=O)=C1[O-]	REAL300031487793	1	47	-1.0	-65.65	398.86	4.51	-61.14
CN(CCOCCN(C)C(=O)C1=CN=CC(O)=C1)C(=O)C1=NSNC1=O	REAL300031487842	0	44	-1.0	-58.67	372.92	1.69	-56.98
CN(CCOCCN(C)C(=O)C1=CN=CC([O-])=C1)C(=O)C1=NSNC1=O	REAL300031487842	1	44	-1.0	-58.67	372.92	1.69	-56.98
CC1=CC(=O)C(C(=O)N(C)CCOCCN(C)C(=O)C2=NSNC2=O)=N[N-]1	REAL300031487994	0	46	-1.0	-52.81	391.25	4.20	-48.61
CN(CCOCCN(C)C(=O)C1=CC=CC(=O)N1[O-])C(=O)C1=NSNC1=O	REAL300031488006	0	45	-1.0	-74.38	396.76	3.43	-70.95
CN(CCOCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=NN(C)C(=O)[N-]1	REAL300031488040	0	44	-1.0	-57.95	379.90	0.86	-57.09
CN(CCOCCN(C)C(=O)C1=CC=C(F)C([O-])=C1)C(=O)C1=NSNC1=O	REAL300031488134	1	45	-1.0	-55.65	384.14	3.62	-52.03
CN(CCOCCN(C)C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)C1=NSNC1=O	REAL300031488170	0	43	-1.0	-51.20	377.95	-1.10	-52.30
CN(CCOCCN(C)C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031488170	1	43	-1.0	-51.20	377.95	-1.10	-52.30
CN(CCOCCN(C)C(=O)C1=CN=C(N)NC1=O)C(=O)C1=NSNC1=O	REAL300031488200	0	45	-1.0	-52.37	386.17	0.85	-51.52
CN(CCOCCN(C)C(=O)C1=CN=C(N)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031488200	1	45	-1.0	-52.37	386.17	0.85	-51.52
CN(CCOCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300031488272	0	41	-1.0	-57.99	361.63	0.11	-57.88
CN(CCOCCN(C)C(=O)C1=CC(=O)NC([O-])=C1)C(=O)C1=NSNC1=O	REAL300031488365	0	45	-1.0	-50.95	384.18	-0.85	-51.80
CCN1[N-]C(C(=O)N(C)CCOCCN(C)C(=O)C2=NSNC2=O)=CC1=O	REAL300031488399	0	48	-1.0	-54.70	406.92	3.37	-51.33
CN(CCOCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(C)[N-]1	REAL300031488413	0	45	-1.0	-54.01	385.19	2.43	-51.58
CN(CCOCCN(C)C(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)NN1	REAL300031488485	0	45	-1.0	-58.18	386.34	0.82	-57.36
CN(CCOCCN(C)C(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300031488485	1	45	-1.0	-58.18	386.34	0.82	-57.36
CN(CCOCCN(C)C(=O)C1=CC=C(O)C(F)=C1)C(=O)C1=NSNC1=O	REAL300031488487	0	45	-1.0	-57.22	384.11	3.66	-53.56
CN(CCOCCN(C)C(=O)C1=CC=C([O-])C(F)=C1)C(=O)C1=NSNC1=O	REAL300031488487	1	45	-1.0	-57.22	384.11	3.66	-53.56
CC1=CN=C(C(=O)N(C)CCOCCN(C)C(=O)C2=NSNC2=O)C(O)=C1	REAL300031488536	0	47	-1.0	-61.07	395.85	4.81	-56.26
CC1=CN=C(C(=O)N(C)CCOCCN(C)C(=O)C2=NSNC2=O)C([O-])=C1	REAL300031488536	1	47	-1.0	-61.07	395.85	4.81	-56.26
CN(CCOCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC([O-])=CS1	REAL300031488547	0	42	-1.0	-64.24	369.15	2.47	-61.77
CN(CCOCCN(C)C(=O)C1=CN([O-])C(=O)C=C1)C(=O)C1=NSNC1=O	REAL300031488557	0	45	-1.0	-66.87	397.17	3.67	-63.20
CN(CCOCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(C)[N-]1	REAL300031488640	0	45	-1.0	-54.01	385.19	2.43	-51.58
CN(CCOCCN(C)C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)C1=NSNC1=O	REAL300031488712	0	43	-1.0	-54.66	379.70	-2.23	-56.89
CN(CCOCCN(C)C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031488712	1	43	-1.0	-51.20	377.95	-1.10	-52.30
CN(CCOCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300031488795	0	41	-1.0	-57.99	361.63	0.11	-57.88
O=C(NC1CCCCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300031489649	0	43	-1.0	-75.30	347.97	-1.91	-77.21
O=C(CN1C(=O)[N-]NC1=O)N1CCCCCC(NC(=O)C2=NSNC2=O)C1	REAL300031489698	0	45	-1.0	-58.94	369.32	-0.68	-59.62
O=C(NC1CCCCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=NSNC1=O	REAL300031490044	0	45	-1.0	-74.39	370.82	3.70	-70.69
O=C(NC1CCCCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=NSNC1=O	REAL300031490119	0	45	-1.0	-49.37	370.72	-1.27	-50.64
O=C(NC1CCCCCN(C(=O)C2=COC(=O)[N-]2)C1)C1=NSNC1=O	REAL300031490130	1	41	-1.0	-53.62	332.24	0.86	-52.76
CCN1[N-]C(C(=O)N2CCCCCC(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031490235	0	48	-1.0	-56.71	381.65	2.76	-53.95
O=C(CC1=CC(=O)N[N-]1)N1CCCCCC(NC(=O)C2=NSNC2=O)C1	REAL300031490242	1	45	-1.0	-60.83	364.32	0.41	-60.42
CN1N=C(C(=O)N2CCCCCC(NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031490261	0	44	-1.0	-74.42	353.78	0.27	-74.15
O=C(NC1CCCCCN(C(=O)C2=C[N-]N=CC2=O)C1)C1=NSNC1=O	REAL300031490313	0	43	-1.0	-47.36	341.25	1.38	-45.98
O=C(NC1CCCCCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300031490371	0	42	-1.0	-65.83	340.19	0.07	-65.76
C[PH](C)([O-])C(=O)C(=O)N1CCCCCC(NC(=O)C2=NSNC2=O)C1	REAL300031490376	0	47	-1.0	-64.91	373.71	0.96	-63.95
O=C(NC1CCCCCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=NSNC1=O	REAL300031490396	0	45	-1.0	-89.87	367.27	3.59	-86.28
CC1SC(C(=O)N2CCCCCC(NC(=O)C3=NSNC3=O)C2)=NC1=O	REAL300031490415	0	44	-1.0	-65.11	363.05	1.47	-63.64
CC1=C([O-])N=C(C(=O)N2CCCCCC(NC(=O)C3=NSNC3=O)C2)S1	REAL300031490415	1	44	-1.0	-65.11	363.05	1.47	-63.64
O=C(NC1CCCCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=NSNC1=O	REAL300031490430	0	45	-1.0	-86.02	356.23	3.16	-82.86
O=C(NC1CCCCCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=NSNC1=O	REAL300031490452	0	45	-1.0	-106.20	356.50	4.23	-101.97
O=C(CC1=NC([O-])=CS1)N1CCCCCC(NC(=O)C2=NSNC2=O)C1	REAL300031490554	0	44	-1.0	-69.87	370.17	-0.30	-70.17
CC1=CC(=O)C(C(=O)N2CCCCCC(NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031490693	0	46	-1.0	-72.98	365.13	3.96	-69.02
O=C(NC1CCCCCN(C(=O)C2=NNC(=O)[N-]2)C1)C1=NSNC1=O	REAL300031490703	0	41	-1.0	-56.88	331.90	-1.51	-58.39
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=NC=CC=C1[O-]	REAL300031491038	1	44	-1.0	-62.92	349.32	3.67	-59.25
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300031491127	0	43	-1.0	-72.75	348.02	-1.81	-74.56
O=C(CN1C(=O)[N-]NC1=O)NC1CCCCCN(C(=O)C2=NSNC2=O)C1	REAL300031491214	0	45	-1.0	-61.78	358.93	0.79	-60.99
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=COC(=O)[N-]1	REAL300031492010	1	41	-1.0	-53.10	332.44	-0.74	-53.84
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C=C1F	REAL300031492072	1	45	-1.0	-62.76	357.79	4.54	-58.22
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=CC([O-])=CC(=O)O1	REAL300031492075	0	44	-1.0	-62.56	356.61	3.68	-58.88
O=C(CCC1=NC(=O)[N-]N1)NC1CCCCCN(C(=O)C2=NSNC2=O)C1	REAL300031492123	1	47	-1.0	-63.55	373.19	-0.10	-63.65
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=C[N-]N=CC1=O	REAL300031492132	0	43	-1.0	-58.27	339.97	3.09	-55.18
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(F)=C1[O-]	REAL300031492139	0	45	-1.0	-67.93	358.31	5.44	-62.49
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC([O-])=C1F	REAL300031492194	1	45	-1.0	-66.87	358.63	3.84	-63.03
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300031492259	0	42	-1.0	-52.10	337.26	0.23	-51.87
C[PH](C)([O-])C(=O)C(=O)NC1CCCCCN(C(=O)C2=NSNC2=O)C1	REAL300031492264	0	47	-1.0	-61.82	368.44	2.26	-59.56
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N([O-])C=C1	REAL300031492310	0	45	-1.0	-69.80	360.27	4.31	-65.49
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)N[N-]1	REAL300031492325	0	41	-1.0	-52.16	331.86	-1.04	-53.20
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CN([O-])C1=O	REAL300031492329	0	45	-1.0	-77.47	356.65	5.16	-72.31
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=CC(F)=CC=C1O	REAL300031492426	0	45	-1.0	-69.34	357.52	6.11	-63.23
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=CC(F)=CC=C1[O-]	REAL300031492426	1	45	-1.0	-69.34	357.52	6.11	-63.23
CC1=CC=NC(C(=O)NC2CCCCCN(C(=O)C3=NSNC3=O)C2)=C1O	REAL300031492467	0	47	-1.0	-62.70	369.63	4.36	-58.34
CC1=CC=NC(C(=O)NC2CCCCCN(C(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300031492467	1	47	-1.0	-62.70	369.63	4.36	-58.34
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=CN=CC(O)=C1	REAL300031492522	0	44	-1.0	-58.18	349.27	1.97	-56.21
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=CN=CC([O-])=C1	REAL300031492522	1	44	-1.0	-58.18	349.27	1.97	-56.21
O=C(CC1=NC([O-])=CS1)NC1CCCCCN(C(=O)C2=NSNC2=O)C1	REAL300031492601	0	44	-1.0	-71.89	363.78	0.16	-71.73
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=C(O)C=CC=C1F	REAL300031492612	0	45	-1.0	-68.81	361.12	4.36	-64.45
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C=CC=C1F	REAL300031492612	1	45	-1.0	-68.81	361.12	4.36	-64.45
CC1=CC(=O)C(C(=O)NC2CCCCCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031492697	0	46	-1.0	-72.09	365.18	4.05	-68.04
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300031492712	0	45	-1.0	-86.28	356.49	6.00	-80.28
CN1N=C(C(=O)NC2CCCCCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031492754	0	44	-1.0	-68.74	353.53	1.13	-67.61
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(F)C(O)=C1	REAL300031492869	0	45	-1.0	-65.29	356.46	4.77	-60.52
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(F)C([O-])=C1	REAL300031492869	1	45	-1.0	-65.29	356.46	4.77	-60.52
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)[N-]C(=O)N1	REAL300031492916	0	43	-1.0	-62.82	349.59	-2.78	-65.60
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)NC(=O)[N-]1	REAL300031492916	1	43	-1.0	-48.69	351.03	-2.06	-50.75
NC1=NC=C(C(=O)NC2CCCCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031492951	1	45	-1.0	-65.96	354.55	1.79	-64.17
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=CC=NC=C1[O-]	REAL300031493027	1	44	-1.0	-70.69	346.39	4.24	-66.45
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300031493032	0	41	-1.0	-68.41	331.20	0.76	-67.65
CC1=C([O-])N=C(C(=O)NC2CCCCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300031493047	1	44	-1.0	-59.30	363.81	0.37	-58.93
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)NC([O-])=C1	REAL300031493139	0	45	-1.0	-58.48	357.39	0.49	-57.99
CCN1[N-]C(C(=O)NC2CCCCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031493177	0	48	-1.0	-55.38	381.81	2.89	-52.49
CN1[N-]C(C(=O)NC2CCCCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031493193	0	45	-1.0	-68.80	359.28	1.98	-66.82
O=C(CC1=CC(=O)N[N-]1)NC1CCCCCN(C(=O)C2=NSNC2=O)C1	REAL300031493271	1	45	-1.0	-62.11	353.92	1.82	-60.29
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(F)=C1	REAL300031493275	1	45	-1.0	-61.41	356.43	4.82	-56.59
CC1=CN=C(C(=O)NC2CCCCCN(C(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300031493331	1	47	-1.0	-64.32	370.76	4.31	-60.01
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=CC([O-])=CS1	REAL300031493343	0	42	-1.0	-68.90	345.51	3.38	-65.52
O=C(NC1CCCCCN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)C=C1	REAL300031493354	0	45	-1.0	-68.71	356.93	5.44	-63.27
CN1[N-]C(C(=O)N2CCCCCC(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031493445	0	45	-1.0	-56.09	359.92	1.82	-54.27
O=C(NC1CCCCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300031493530	0	43	-1.0	-49.68	350.93	-1.12	-50.80
O=C(NC1CCCCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300031493530	1	43	-1.0	-49.68	350.93	-1.12	-50.80
O=C(NC1CCCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NSNC1=O	REAL300031493631	0	41	-1.0	-57.21	332.29	-0.01	-57.22
CN(C[C@@H]1CCCCN1C(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031494306	0	43	-1.0	-62.61	353.32	-1.20	-63.81
CN(C[C@@H]1CCCCN1C(=O)CN1C(=O)[N-]NC1=O)C(=O)C1=NSNC1=O	REAL300031494348	0	45	-1.0	-62.59	371.98	0.63	-61.96
CN(C[C@@H]1CCCCN1C(=O)C1=CN([O-])C(=O)C=C1)C(=O)C1=NSNC1=O	REAL300031494631	0	45	-1.0	-69.95	368.42	4.80	-65.15
CN(C[C@@H]1CCCCN1C(=O)C1=CC(=O)NC([O-])=C1)C(=O)C1=NSNC1=O	REAL300031494695	0	45	-1.0	-54.65	366.92	-0.19	-54.84
CN(C[C@@H]1CCCCN1C(=O)C1=COC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031494706	1	41	-1.0	-54.53	337.93	1.50	-53.03
CCN1[N-]C(C(=O)N2CCCC[C@H]2CN(C)C(=O)C2=NSNC2=O)=CC1=O	REAL300031494799	0	48	-1.0	-60.39	388.09	3.94	-56.45
CN(C[C@@H]1CCCCN1C(=O)CC1=CC(=O)N[N-]1)C(=O)C1=NSNC1=O	REAL300031494805	1	45	-1.0	-65.45	367.10	1.72	-63.73
CN(C[C@@H]1CCCCN1C(=O)C1=NN(C)C(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031494821	0	44	-1.0	-63.02	361.06	1.43	-61.59
CN(C[C@@H]1CCCCN1C(=O)C1=C[N-]N=CC1=O)C(=O)C1=NSNC1=O	REAL300031494865	0	43	-1.0	-55.30	356.35	3.20	-52.10
CN(C[C@@H]1CCCCN1C(=O)C1=CC(=O)N[N-]1)C(=O)C1=NSNC1=O	REAL300031494916	0	42	-1.0	-55.88	344.38	1.32	-54.56
CN(C[C@@H]1CCCCN1C(=O)C(=O)[PH](C)(C)[O-])C(=O)C1=NSNC1=O	REAL300031494920	0	47	-1.0	-58.56	378.77	3.33	-55.23
CN(C[C@@H]1CCCCN1C(=O)CCC1=NNC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031494937	0	47	-1.0	-59.89	382.35	1.29	-58.60
CN(C[C@@H]1CCCCN1C(=O)C1=CC=CN([O-])C1=O)C(=O)C1=NSNC1=O	REAL300031494939	0	45	-1.0	-77.56	373.75	5.31	-72.25
CC1SC(C(=O)N2CCCC[C@H]2CN(C)C(=O)C2=NSNC2=O)=NC1=O	REAL300031494957	0	44	-1.0	-60.99	370.15	2.10	-58.89
CC1=C([O-])N=C(C(=O)N2CCCC[C@H]2CN(C)C(=O)C2=NSNC2=O)S1	REAL300031494957	1	44	-1.0	-60.99	370.15	2.10	-58.89
CN(C[C@@H]1CCCCN1C(=O)C1=CC(=O)N([O-])C=C1)C(=O)C1=NSNC1=O	REAL300031494968	0	45	-1.0	-73.75	364.71	4.59	-69.16
CN(C[C@@H]1CCCCN1C(=O)C1=CC=CC(=O)N1[O-])C(=O)C1=NSNC1=O	REAL300031494987	0	45	-1.0	-94.51	363.74	5.43	-89.08
CN(C[C@@H]1CCCCN1C(=O)CC1=NC([O-])=CS1)C(=O)C1=NSNC1=O	REAL300031495071	0	44	-1.0	-72.25	372.82	1.08	-71.17
CC1=CC(=O)C(C(=O)N2CCCC[C@H]2CN(C)C(=O)C2=NSNC2=O)=N[N-]1	REAL300031495190	0	46	-1.0	-61.95	370.47	4.67	-57.28
CN(C[C@@H]1CCCCN1C(=O)C1=NC(=O)N[N-]1)C(=O)C1=NSNC1=O	REAL300031495198	0	41	-1.0	-55.51	337.97	0.71	-54.80
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=NC=CC=C1[O-]	REAL300031495514	1	44	-1.0	-72.62	353.57	4.69	-67.93
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=NNC(=O)[N-]C1=O	REAL300031495603	0	43	-1.0	-63.31	354.74	-1.04	-64.35
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)CN1C(=O)[N-]NC1=O	REAL300031495690	0	45	-1.0	-65.23	369.44	0.21	-65.02
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=COC(=O)[N-]1	REAL300031496486	1	41	-1.0	-55.36	338.44	1.07	-54.29
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C=C1F	REAL300031496548	1	45	-1.0	-60.52	361.87	3.89	-56.63
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC([O-])=CC(=O)O1	REAL300031496551	0	44	-1.0	-54.80	363.65	3.47	-51.33
CC1=CC=C([O-])C(C(=O)N(C)C[C@@H]2CCCCN2C(=O)C2=NSNC2=O)=N1	REAL300031496598	1	47	-1.0	-73.81	376.01	5.39	-68.42
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)CCC1=NC(=O)[N-]N1	REAL300031496599	1	47	-1.0	-63.63	379.64	0.44	-63.19
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=C[N-]N=CC1=O	REAL300031496608	0	43	-1.0	-56.04	356.33	2.61	-53.43
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CC(F)=C1[O-]	REAL300031496615	0	45	-1.0	-76.74	362.20	5.39	-71.35
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CC([O-])=C1F	REAL300031496670	1	45	-1.0	-72.45	362.46	3.92	-68.53
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N[N-]1	REAL300031496735	0	42	-1.0	-56.49	343.27	1.04	-55.45
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C(=O)[PH](C)(C)[O-]	REAL300031496740	0	47	-1.0	-57.88	379.10	3.60	-54.28
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N([O-])C=C1	REAL300031496786	0	45	-1.0	-72.66	362.75	4.34	-68.32
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)N[N-]1	REAL300031496801	0	41	-1.0	-55.68	335.93	0.25	-55.43
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CN([O-])C1=O	REAL300031496805	0	45	-1.0	-84.83	373.18	4.66	-80.17
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(F)=CC=C1O	REAL300031496902	0	45	-1.0	-69.55	369.22	4.61	-64.94
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(F)=CC=C1[O-]	REAL300031496902	1	45	-1.0	-69.55	369.22	4.61	-64.94
CC1=CC=NC(C(=O)N(C)C[C@@H]2CCCCN2C(=O)C2=NSNC2=O)=C1O	REAL300031496943	0	47	-1.0	-73.49	375.51	5.48	-68.01
CC1=CC=NC(C(=O)N(C)C[C@@H]2CCCCN2C(=O)C2=NSNC2=O)=C1[O-]	REAL300031496943	1	47	-1.0	-73.49	375.51	5.48	-68.01
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CN=CC([O-])=C1	REAL300031496998	1	44	-1.0	-62.34	357.08	2.00	-60.34
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)CC1=NC([O-])=CS1	REAL300031497077	0	44	-1.0	-73.46	370.36	0.60	-72.86
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=C([O-])C=CC=C1F	REAL300031497088	1	45	-1.0	-69.99	372.52	4.24	-65.75
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C(F)C=C1[O-]	REAL300031497089	0	45	-1.0	-70.59	362.66	5.41	-65.18
CC1=CC(=O)C(C(=O)N(C)C[C@@H]2CCCCN2C(=O)C2=NSNC2=O)=N[N-]1	REAL300031497173	0	46	-1.0	-63.19	371.94	4.82	-58.37
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CC(=O)N1[O-]	REAL300031497188	0	45	-1.0	-89.85	360.50	5.29	-84.56
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=NN(C)C(=O)[N-]1	REAL300031497230	0	44	-1.0	-63.24	359.08	1.09	-62.15
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C(F)C([O-])=C1	REAL300031497345	1	45	-1.0	-59.49	363.22	3.87	-55.62
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300031497392	0	43	-1.0	-51.66	356.94	-0.60	-52.26
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300031497392	1	43	-1.0	-51.66	356.94	-0.60	-52.26
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CN=C(N)NC1=O	REAL300031497427	0	45	-1.0	-61.46	367.28	1.52	-59.94
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CN=C(N)[N-]C1=O	REAL300031497427	1	45	-1.0	-61.46	367.28	1.52	-59.94
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300031497508	0	41	-1.0	-60.14	338.42	1.20	-58.94
CC1SC(C(=O)N(C)C[C@@H]2CCCCN2C(=O)C2=NSNC2=O)=NC1=O	REAL300031497523	0	44	-1.0	-60.66	368.11	1.69	-58.97
CC1=C([O-])N=C(C(=O)N(C)C[C@@H]2CCCCN2C(=O)C2=NSNC2=O)S1	REAL300031497523	1	44	-1.0	-60.66	368.11	1.69	-58.97
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)NC([O-])=C1	REAL300031497615	0	45	-1.0	-54.85	362.75	-0.52	-55.37
CCN1[N-]C(C(=O)N(C)C[C@@H]2CCCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300031497653	0	48	-1.0	-59.86	387.70	3.78	-56.08
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(C)[N-]1	REAL300031497669	0	45	-1.0	-58.96	365.89	2.84	-56.12
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)NN1	REAL300031497747	0	45	-1.0	-67.23	365.83	1.51	-65.72
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300031497747	1	45	-1.0	-67.23	365.83	1.51	-65.72
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C(O)C(F)=C1	REAL300031497751	0	45	-1.0	-59.98	363.21	3.90	-56.08
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C(F)=C1	REAL300031497751	1	45	-1.0	-59.98	363.21	3.90	-56.08
CC1=CN=C(C(=O)N(C)C[C@@H]2CCCCN2C(=O)C2=NSNC2=O)C(O)=C1	REAL300031497807	0	47	-1.0	-74.13	375.04	5.32	-68.81
CC1=CN=C(C(=O)N(C)C[C@@H]2CCCCN2C(=O)C2=NSNC2=O)C([O-])=C1	REAL300031497807	1	47	-1.0	-74.13	375.04	5.32	-68.81
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC([O-])=CS1	REAL300031497819	0	42	-1.0	-68.36	348.59	2.66	-65.70
CN(C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CN([O-])C(=O)C=C1	REAL300031497830	0	45	-1.0	-66.00	371.31	4.66	-61.34
CN(C[C@@H]1CCCCN1C(=O)C1=CC(=O)N(C)[N-]1)C(=O)C1=NSNC1=O	REAL300031497913	0	45	-1.0	-59.51	366.29	3.01	-56.50
CC1(C)CC(NC(=O)C2=COC(=O)[N-]2)CCN(C(=O)C2=NSNC2=O)C1	REAL300031499215	1	44	-1.0	-49.41	354.77	-0.75	-50.16
CC1(C)CC(NC(=O)CC2=CC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)C1	REAL300031499292	1	48	-1.0	-55.27	380.41	0.94	-54.33
CN1N=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC(C)(C)C2)[N-]C1=O	REAL300031499301	0	47	-1.0	-53.36	375.96	0.54	-52.82
CC1(C)CC(NC(=O)C2=C[N-]N=CC2=O)CCN(C(=O)C2=NSNC2=O)C1	REAL300031499330	0	46	-1.0	-41.75	363.63	2.46	-39.29
CC1(C)CC(NC(=O)C2=CC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)C1	REAL300031499364	0	45	-1.0	-47.53	358.64	0.33	-47.20
CC1(C)CC(NC(=O)C2=NC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)C1	REAL300031499528	0	44	-1.0	-47.79	353.27	-0.96	-48.75
CC1(C)CC(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300031499819	1	47	-1.0	-63.27	370.45	4.19	-59.08
CC1(C)CC(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300031500286	1	44	-1.0	-54.70	355.01	0.54	-54.16
CC1(C)CC(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300031500353	0	46	-1.0	-47.49	360.92	1.39	-46.10
CC1(C)CC(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300031500410	0	45	-1.0	-52.57	360.71	0.27	-52.30
CC1(C)CC(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300031500443	0	44	-1.0	-54.42	353.54	-0.13	-54.55
CC1(C)CC(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300031500548	1	47	-1.0	-58.12	368.80	0.96	-57.16
CN1N=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC(C)(C)C2)[N-]C1=O	REAL300031500652	0	47	-1.0	-58.79	376.20	0.37	-58.42
CC1(C)CC(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300031500772	0	47	-1.0	-61.94	368.33	2.42	-59.52
CC1(C)CC(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300031500774	0	44	-1.0	-57.83	355.13	0.20	-57.63
CN1[N-]C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC(C)(C)C2)=CC1=O	REAL300031500856	0	48	-1.0	-55.20	382.64	1.89	-53.31
CC1(C)CC(NC(=O)C2=NSNC2=O)CCN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300031500901	1	48	-1.0	-58.42	382.77	0.44	-57.98
CC1(C)CC(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC([O-])=CS2)C1	REAL300031500944	0	45	-1.0	-63.99	363.93	1.65	-62.34
CN1[N-]C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC(C)(C)C2)=CC1=O	REAL300031501001	0	48	-1.0	-50.39	382.20	2.00	-48.39
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NSNC2=O)C1	REAL300031501104	0	44	-1.0	-52.67	354.35	0.72	-51.95
O=C(C1=NSNC1=O)N(CCO)C1CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300031501776	1	42	-1.0	-61.03	348.69	-1.20	-62.23
O=C(CC1=CC(=O)N[N-]1)N1CCC(N(CCO)C(=O)C2=NSNC2=O)CC1	REAL300031501848	1	46	-1.0	-70.90	377.65	-1.28	-72.18
CN1N=C(C(=O)N2CCC(N(CCO)C(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300031501856	0	45	-1.0	-70.64	370.49	-1.05	-71.69
O=C(C1=NSNC1=O)N(CCO)C1CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300031501881	0	44	-1.0	-55.46	359.27	-0.32	-55.78
O=C(C1=NSNC1=O)N(CCO)C1CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300031501915	0	43	-1.0	-64.01	352.60	-1.20	-65.21
O=C(C1=NSNC1=O)N(CCO)C1CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300031502065	0	42	-1.0	-62.04	346.61	-1.96	-64.00
O=C(C1=NC=CC=C1[O-])N(CCO)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031502349	1	45	-1.0	-71.53	365.95	2.04	-69.49
O=C(C1=COC(=O)[N-]1)N(CCO)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031502708	1	42	-1.0	-53.17	349.28	-1.17	-54.34
O=C(C1=C[N-]N=CC1=O)N(CCO)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031502767	0	44	-1.0	-55.16	369.08	-0.38	-55.54
O=C(C1=CC(=O)N[N-]1)N(CCO)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031502813	0	43	-1.0	-57.32	354.17	-1.77	-59.09
O=C(C1=NNC(=O)[N-]1)N(CCO)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031502836	0	42	-1.0	-61.82	348.95	-3.29	-65.11
O=C(C1=CN=CC([O-])=C1)N(CCO)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031502918	1	45	-1.0	-53.54	366.16	-0.88	-54.42
CN1N=C(C(=O)N(CCO)C2CCN(C(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300031502996	0	45	-1.0	-71.63	370.72	-1.33	-72.96
O=C(C1=CC=NC=C1[O-])N(CCO)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031503086	0	45	-1.0	-67.17	371.86	-0.46	-67.63
O=C(C1=CC(=O)[N-]O1)N(CCO)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031503088	0	42	-1.0	-61.52	349.37	-1.86	-63.38
CN1[N-]C(C(=O)N(CCO)C2CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031503154	0	46	-1.0	-60.25	376.97	-0.06	-60.31
O=C(CC1=CC(=O)N[N-]1)N(CCO)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031503185	1	46	-1.0	-68.42	378.93	-1.52	-69.94
O=C(C1=CC([O-])=CS1)N(CCO)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031503215	0	43	-1.0	-82.11	357.03	0.25	-81.86
CN1[N-]C(C(=O)N2CCC(N(CCO)C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031503264	0	46	-1.0	-66.91	374.63	0.38	-66.53
O=C(C1=NSNC1=O)N(CCO)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300031503356	0	42	-1.0	-68.34	346.81	-1.35	-69.69
CC1(C)CCC(CNC(=O)C2=COC(=O)[N-]2)N(C(=O)C2=NSNC2=O)C1	REAL300031504092	1	44	-1.0	-58.83	361.65	-0.24	-59.07
CC1(C)CCC(CNC(=O)CC2=CC(=O)N[N-]2)N(C(=O)C2=NSNC2=O)C1	REAL300031504169	1	48	-1.0	-67.98	385.86	1.67	-66.31
CN1N=C(C(=O)NCC2CCC(C)(C)CN2C(=O)C2=NSNC2=O)[N-]C1=O	REAL300031504178	0	47	-1.0	-68.03	383.78	0.96	-67.07
CC1(C)CCC(CNC(=O)C2=C[N-]N=CC2=O)N(C(=O)C2=NSNC2=O)C1	REAL300031504207	0	46	-1.0	-54.67	370.68	2.89	-51.78
CC1(C)CCC(CNC(=O)C2=CC(=O)N[N-]2)N(C(=O)C2=NSNC2=O)C1	REAL300031504241	0	45	-1.0	-61.12	366.45	0.76	-60.36
CC1(C)CCC(CNC(=O)C2=NC(=O)N[N-]2)N(C(=O)C2=NSNC2=O)C1	REAL300031504405	0	44	-1.0	-59.54	361.05	-0.55	-60.09
CC1(C)CCC(CNC(=O)C2=NSNC2=O)N(C(=O)C2=NC=CC=C2[O-])C1	REAL300031504696	1	47	-1.0	-67.50	380.41	4.19	-63.31
CC1(C)CCC(CNC(=O)C2=NSNC2=O)N(C(=O)C2=COC(=O)[N-]2)C1	REAL300031505080	1	44	-1.0	-51.81	360.07	1.29	-50.52
CC1(C)CCC(CNC(=O)C2=NSNC2=O)N(C(=O)C2=C[N-]N=CC2=O)C1	REAL300031505143	0	46	-1.0	-46.07	374.42	2.66	-43.41
CC1(C)CCC(CNC(=O)C2=NSNC2=O)N(C(=O)C2=CC(=O)N[N-]2)C1	REAL300031505191	0	45	-1.0	-55.24	365.13	1.21	-54.03
CC1(C)CCC(CNC(=O)C2=NSNC2=O)N(C(=O)C2=NC(=O)N[N-]2)C1	REAL300031505218	0	44	-1.0	-53.31	359.72	0.58	-52.73
CC1(C)CCC(CNC(=O)C2=NSNC2=O)N(C(=O)C2=CN=CC([O-])=C2)C1	REAL300031505310	1	47	-1.0	-61.64	379.65	2.33	-59.31
CN1N=C(C(=O)N2CC(C)(C)CCC2CNC(=O)C2=NSNC2=O)[N-]C1=O	REAL300031505395	0	47	-1.0	-59.91	382.67	1.47	-58.44
CC1(C)CCC(CNC(=O)C2=NSNC2=O)N(C(=O)C2=CC=NC=C2[O-])C1	REAL300031505496	0	47	-1.0	-68.40	378.38	3.34	-65.06
CC1(C)CCC(CNC(=O)C2=NSNC2=O)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300031505498	0	44	-1.0	-58.04	360.12	1.37	-56.67
CN1[N-]C(C(=O)N2CC(C)(C)CCC2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300031505571	0	48	-1.0	-57.86	387.68	2.90	-54.96
CC1(C)CCC(CNC(=O)C2=NSNC2=O)N(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300031505606	1	48	-1.0	-72.83	390.46	0.77	-72.06
CC1(C)CCC(CNC(=O)C2=NSNC2=O)N(C(=O)C2=CC([O-])=CS2)C1	REAL300031505641	0	45	-1.0	-67.70	375.94	2.99	-64.71
CN1[N-]C(C(=O)NCC2CCC(C)(C)CN2C(=O)C2=NSNC2=O)=CC1=O	REAL300031505695	0	48	-1.0	-64.35	389.21	2.48	-61.87
CC1(C)CCC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=NSNC2=O)C1	REAL300031505798	0	44	-1.0	-62.94	361.19	1.23	-61.71
O=C(C1=NSNC1=O)N1CC2C(C1)C1CCC2CN1C(=O)C1=COC(=O)[N-]1	REAL300031506163	1	43	-1.0	-53.71	345.18	1.27	-52.44
O=C(C1=NSNC1=O)N1CC2C(C1)C1CCC2CN1C(=O)C1=CC(=O)N[N-]1	REAL300031506249	0	44	-1.0	-53.49	350.11	1.33	-52.16
O=C(C1=NSNC1=O)N1CC2C(C1)C1CCC2CN1C(=O)C1=NC(=O)N[N-]1	REAL300031506324	0	43	-1.0	-56.40	346.84	1.21	-55.19
O=C(C1=COC(=O)[N-]1)N1CC2C(C1)C1CCC2CN1C(=O)C1=NSNC1=O	REAL300031506705	1	43	-1.0	-68.13	346.89	2.65	-65.48
O=C(C1=CC(=O)N[N-]1)N1CC2C(C1)C1CCC2CN1C(=O)C1=NSNC1=O	REAL300031506762	0	44	-1.0	-58.95	346.36	2.03	-56.92
O=C(C1=NC(=O)N[N-]1)N1CC2C(C1)C1CCC2CN1C(=O)C1=NSNC1=O	REAL300031506775	0	43	-1.0	-66.44	346.54	2.03	-64.41
O=C(C1=CC(=O)[N-]O1)N1CC2C(C1)C1CCC2CN1C(=O)C1=NSNC1=O	REAL300031506932	0	43	-1.0	-62.03	344.77	1.49	-60.54
O=C(C1=NSNC1=O)N1CC2C(C1)C1CCC2CN1C(=O)C1=CC(=O)[N-]O1	REAL300031507105	0	43	-1.0	-60.48	347.42	2.02	-58.46
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1O)C1=NNC(=O)[N-]C1=O	REAL300031508636	0	38	-1.0	-56.03	340.25	-7.13	-63.16
O=C(CN1C(=O)[N-]NC1=O)NC1CCN(C(=O)C2=NSNC2=O)CC1O	REAL300031508719	0	40	-1.0	-57.62	353.65	-5.38	-63.00
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1O)C1=CN([O-])C(=O)C=C1	REAL300031509289	0	40	-1.0	-67.75	346.66	-0.50	-68.25
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1O)C1=CC(=O)NC([O-])=C1	REAL300031509403	0	40	-1.0	-50.23	349.66	-5.63	-55.86
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1O)C1=COC(=O)[N-]1	REAL300031509414	1	36	-1.0	-51.75	319.20	-5.57	-57.32
O=C([N-]C1CCN(C(=O)C2=NSNC2=O)CC1O)C(F)(F)C(F)(F)F	REAL300031509501	0	35	-1.0	-44.64	326.55	-2.75	-47.39
CCN1[N-]C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2O)=CC1=O	REAL300031509580	0	43	-1.0	-54.89	373.23	-2.40	-57.29
O=C(CC1=CC(=O)N[N-]1)NC1CCN(C(=O)C2=NSNC2=O)CC1O	REAL300031509587	1	40	-1.0	-59.92	348.65	-4.35	-64.27
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1O)C1=CC=CC(=S)N1[O-]	REAL300031509602	0	40	-1.0	-85.44	359.88	1.06	-84.38
CN1N=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2O)[N-]C1=O	REAL300031509625	0	39	-1.0	-56.94	341.35	-4.39	-61.33
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1O)C1=C[N-]N=CC1=O	REAL300031509712	0	38	-1.0	-44.90	332.91	-2.89	-47.79
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1O)C1=CC(=O)N[N-]1	REAL300031509804	0	37	-1.0	-51.64	328.69	-5.04	-56.68
C[PH](C)([O-])C(=O)C(=O)NC1CCN(C(=O)C2=NSNC2=O)CC1O	REAL300031509809	0	42	-1.0	-50.52	359.47	-3.49	-54.01
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1O)C1=CC=CN([O-])C1=O	REAL300031509838	0	40	-1.0	-63.35	348.93	-0.81	-64.16
CC1SC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2O)=NC1=O	REAL300031509866	0	39	-1.0	-57.98	350.80	-4.47	-62.45
CC1=C([O-])N=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2O)S1	REAL300031509866	1	39	-1.0	-57.98	350.80	-4.47	-62.45
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1O)C1=CC(=O)C=C(Cl)N1	REAL300031509879	0	39	-1.0	-48.47	358.84	-1.75	-50.22
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031509879	1	39	-1.0	-48.47	358.84	-1.75	-50.22
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1O)C1=CC(=O)N([O-])C=C1	REAL300031509896	0	40	-1.0	-68.32	347.04	-0.52	-68.84
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1O)C1=CC=CC(=O)N1[O-]	REAL300031509927	0	40	-1.0	-81.74	348.77	0.02	-81.72
O=C(C[N-]C(=O)C(F)(F)F)NC1CCN(C(=O)C2=NSNC2=O)CC1O	REAL300031510043	0	39	-1.0	-50.86	358.89	-5.19	-56.05
O=C(CC1=NC([O-])=CS1)NC1CCN(C(=O)C2=NSNC2=O)CC1O	REAL300031510087	0	39	-1.0	-69.44	355.28	-5.17	-74.61
CCC1=NC=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2O)C(=O)[N-]1	REAL300031510105	1	44	-1.0	-50.70	373.81	-2.53	-53.23
O=C(CN1N=CC(=O)[N-]C1=O)NC1CCN(C(=O)C2=NSNC2=O)CC1O	REAL300031510113	0	41	-1.0	-59.20	362.58	-6.31	-65.51
CC1=CC(=O)C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2O)=N[N-]1	REAL300031510309	0	41	-1.0	-54.50	357.44	-1.26	-55.76
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1O)C1=NC(=O)N[N-]1	REAL300031510322	0	36	-1.0	-51.42	323.28	-6.35	-57.77
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1O)C1=CN=C(C=N[O-])S1	REAL300031510429	0	39	-1.0	-65.25	359.84	-3.10	-68.35
COC1=NC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2O)=CC(=O)[N-]1	REAL300031510441	0	42	-1.0	-56.28	369.41	-7.03	-63.31
O=C(NC1CCN(C(=O)C2=NC=CC=C2[O-])CC1O)C1=NSNC1=O	REAL300031510697	1	39	-1.0	-62.99	342.69	-1.83	-64.82
O=C(NC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1O)C1=NSNC1=O	REAL300031510818	0	38	-1.0	-55.36	335.49	-6.75	-62.11
O=C(CN1C(=O)[N-]NC1=O)N1CCC(NC(=O)C2=NSNC2=O)C(O)C1	REAL300031510973	0	40	-1.0	-57.19	356.70	-5.59	-62.78
O=C(NC1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC1O)C1=NSNC1=O	REAL300031512237	1	40	-1.0	-57.59	360.38	-0.72	-58.31
N#CC1=CC([O-])=CC(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C(O)C2)=C1	REAL300031512261	1	41	-1.0	-51.87	368.75	-1.61	-53.48
CCC1=NC=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C(O)C2)C(=O)[N-]1	REAL300031512341	1	44	-1.0	-50.34	370.70	-2.85	-53.19
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NC1=CC(=O)[N-]C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C(O)C2)=N1	REAL300031512967	0	40	-1.0	-59.48	352.60	-5.31	-64.79
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CC1=CC=NC(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C(O)C2)=C1[O-]	REAL300031513077	1	42	-1.0	-60.61	356.22	-0.22	-60.83
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O=C(NC1CCN(C(=O)C2=CC=C([O-])C=C2Cl)CC1O)C1=NSNC1=O	REAL300031513322	1	40	-1.0	-54.31	360.15	-1.06	-55.37
O=C(CC1=NC([O-])=CS1)N1CCC(NC(=O)C2=NSNC2=O)C(O)C1	REAL300031513333	0	39	-1.0	-70.03	357.55	-5.24	-75.27
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CC1=CC(=O)C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C(O)C2)=N[N-]1	REAL300031513496	0	41	-1.0	-52.67	352.69	-0.86	-53.53
O=C(NC1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1O)C1=NSNC1=O	REAL300031513520	0	40	-1.0	-76.13	356.38	-1.37	-77.50
N#CC1=CC=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C(O)C2)C(=O)[N-]1	REAL300031513544	0	40	-1.0	-46.56	357.20	-3.31	-49.87
CN1N=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C(O)C2)[N-]C1=O	REAL300031513586	0	39	-1.0	-56.64	341.21	-4.38	-61.02
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CCN1[N-]C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C(O)C2)=CC1=O	REAL300031514262	0	43	-1.0	-53.42	368.31	-1.91	-55.33
CN1[N-]C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C(O)C2)=CC1=O	REAL300031514279	0	40	-1.0	-52.76	346.50	-2.85	-55.61
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CC1=C(CC(=O)N2CCC(NC(=O)C3=NSNC3=O)C(O)C2)C(=O)N(C)[N-]1	REAL300031514476	0	46	-1.0	-61.98	394.57	-2.12	-64.10
CC1=CN=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C(O)C2)C([O-])=C1	REAL300031514511	1	42	-1.0	-62.08	357.33	-0.28	-62.36
O=C(NC1CCN(C(=O)C2=CC([O-])=CS2)CC1O)C1=NSNC1=O	REAL300031514530	0	37	-1.0	-60.98	334.01	-2.69	-63.67
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CN1[N-]C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2O)=CC1=O	REAL300031514689	0	40	-1.0	-53.51	346.76	-2.88	-56.39
O=C([N-]C1CCN(C(=O)C2=NSNC2=O)CC1O)C(F)(F)C(F)F	REAL300031514781	1	35	-1.0	-46.33	317.97	-2.22	-48.55
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O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1O)C1=NC(=O)NC(=O)[N-]1	REAL300031514840	1	38	-1.0	-48.19	342.53	-7.37	-55.56
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O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1O)C1=CC(=O)[N-]O1	REAL300031514983	0	36	-1.0	-55.17	318.77	-4.10	-59.27
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1O)C1=CN([O-])C(=O)NC1=O	REAL300031514994	0	40	-1.0	-52.85	354.15	-3.34	-56.19
O=C(NC1CC(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300031515535	1	44	-1.0	-51.62	386.94	0.24	-51.38
O=C(CCCN1C(=O)[N-]NC1=O)NCC1CC(NC(=O)C2=NSNC2=O)C1	REAL300031516174	0	45	-1.0	-59.74	399.17	-2.12	-61.86
O=C(CCC1=NNC(=O)[N-]C1=O)NCC1CC(NC(=O)C2=NSNC2=O)C1	REAL300031516390	0	43	-1.0	-58.35	386.86	-4.85	-63.20
CC(=O)[N-]C1=NC(C(=O)NCC2CC(NC(=O)C3=NSNC3=O)C2)=CS1	REAL300031516391	1	41	-1.0	-49.05	381.10	-1.37	-50.42
O=C(CCN1C=C[N-]C(=O)C1=O)NCC1CC(NC(=O)C2=NSNC2=O)C1	REAL300031516549	1	44	-1.0	-64.39	392.61	-0.70	-65.09
COC1=C(C(=O)NCC2CC(NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031516658	1	42	-1.0	-57.57	376.11	-3.67	-61.24
O=C(NC1CC(CNC(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300031516772	0	37	-1.0	-57.46	342.64	-5.03	-62.49
O=C(CN1C(=O)[N-]NC1=O)NCC1CC(NC(=O)C2=NSNC2=O)C1	REAL300031516889	0	39	-1.0	-59.56	356.64	-3.32	-62.88
O=C(NCC1CC(NC(=O)C2=NSNC2=O)C1)C1=C(Cl)C(=O)[N-]S1	REAL300031519015	0	35	-1.0	-54.27	348.64	-1.67	-55.94
COCC1=NC=C(C(=O)NCC2CC(NC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300031519122	0	44	-1.0	-51.15	389.03	-2.15	-53.30
COCC1=NC=C(C(=O)NCC2CC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031519122	1	44	-1.0	-51.15	389.03	-2.15	-53.30
CC1=CC(=O)C(C(=O)NCC2CC(NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031519223	0	40	-1.0	-55.63	359.79	0.83	-54.80
O=C(NCC1CC(NC(=O)C2=NSNC2=O)C1)C1=NC(=O)N[N-]1	REAL300031519242	0	35	-1.0	-53.37	325.67	-4.26	-57.63
O=C(NC1CC(CNC(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C1)C1=NSNC1=O	REAL300031519267	0	40	-1.0	-54.02	368.27	0.06	-53.96
O=C(NC1CC(CNC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=NSNC1=O	REAL300031519267	1	40	-1.0	-54.02	368.27	0.06	-53.96
O=C(NCC1CC(NC(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300031519405	0	38	-1.0	-66.84	366.46	-1.38	-68.22
O=C(NCC1CC(NC(=O)C2=NC=CC=C2O)C1)C1=NSNC1=O	REAL300031519684	0	38	-1.0	-64.39	343.13	0.47	-63.92
O=C(NCC1CC(NC(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300031519684	1	38	-1.0	-64.39	343.13	0.47	-63.92
O=C(CCN1C=CNC(=O)C1=O)NC1CC(CNC(=O)C2=NSNC2=O)C1	REAL300031519804	0	44	-1.0	-62.99	392.73	-0.76	-63.75
O=C(CCN1C=C[N-]C(=O)C1=O)NC1CC(CNC(=O)C2=NSNC2=O)C1	REAL300031519804	1	44	-1.0	-62.99	392.73	-0.76	-63.75
CC(=O)NC1=NC(C(=O)NC2CC(CNC(=O)C3=NSNC3=O)C2)=CS1	REAL300031519816	0	41	-1.0	-47.34	381.10	-1.36	-48.70
CC(=O)[N-]C1=NC(C(=O)NC2CC(CNC(=O)C3=NSNC3=O)C2)=CS1	REAL300031519816	1	41	-1.0	-47.34	381.10	-1.36	-48.70
O=C(NCC1CC(NC(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300031519848	0	37	-1.0	-57.68	342.64	-5.04	-62.72
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C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)CC1SC(=O)[N-]C1=O	REAL300031535441	0	42	-1.0	-56.60	378.57	-1.98	-58.58
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=NN(C)C(=O)[N-]1	REAL300031535457	0	41	-1.0	-61.75	361.44	-0.97	-62.72
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=C[N-]N=CC1=O	REAL300031535546	0	40	-1.0	-50.56	349.26	0.97	-49.59
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC(=O)N[N-]1	REAL300031535645	0	39	-1.0	-56.25	345.04	-1.20	-57.45
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C(=O)[PH](C)(C)[O-]	REAL300031535650	0	44	-1.0	-58.29	376.84	0.51	-57.78
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)CCC1=NC(=O)NN1	REAL300031535677	0	44	-1.0	-67.44	380.36	-1.48	-68.92
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)CCC1=NC(=O)[N-]N1	REAL300031535677	1	44	-1.0	-67.44	380.36	-1.48	-68.92
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=CN([O-])C1=O	REAL300031535681	0	42	-1.0	-71.05	365.26	3.04	-68.01
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C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC(=O)C=C(Cl)N1	REAL300031535723	0	41	-1.0	-52.47	373.52	2.15	-50.32
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031535723	1	41	-1.0	-52.47	373.52	2.15	-50.32
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300031535740	0	42	-1.0	-76.01	366.45	2.97	-73.04
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300031535773	0	42	-1.0	-86.79	364.39	3.93	-82.86
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)CC1=C([O-])N=C(N)S1	REAL300031535896	0	43	-1.0	-71.02	384.75	-2.10	-73.12
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)CC1=NC([O-])=CS1	REAL300031535941	0	41	-1.0	-72.91	371.73	-1.34	-74.25
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C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)CN1N=CC(=O)[N-]C1=O	REAL300031535968	0	43	-1.0	-63.39	381.24	-2.77	-66.16
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C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=NNC(=O)[N-]1	REAL300031536185	0	38	-1.0	-60.27	338.81	-2.61	-62.88
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CN=C(C=N[O-])S1	REAL300031536296	0	41	-1.0	-68.68	379.49	0.42	-68.26
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C[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031536565	1	41	-1.0	-66.20	355.38	2.48	-63.72
C[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031536688	0	40	-1.0	-58.97	355.77	-3.29	-62.26
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C[C@@H]1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031538167	1	42	-1.0	-64.12	373.78	3.76	-60.36
C[C@@H]1CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031538192	1	43	-1.0	-50.33	381.94	2.01	-48.32
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C[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031538293	1	38	-1.0	-52.12	338.47	-1.31	-53.43
C[C@@H]1CN(C(=O)C[N-]C(=O)C(F)(F)F)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031538360	0	41	-1.0	-51.51	378.73	-1.56	-53.07
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C[C@@H]1CN(C(=O)C2=C(F)C=C([O-])C=C2F)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031538370	0	42	-1.0	-50.71	380.89	2.05	-48.66
C[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2F)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031538385	1	42	-1.0	-58.20	367.97	1.77	-56.43
C[C@@H]1CN(C(=O)C2=CC([O-])=CC(=O)O2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031538391	0	41	-1.0	-54.91	364.08	1.27	-53.64
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C[C@@H]1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031538401	0	41	-1.0	-64.08	372.92	1.54	-62.54
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C[C@@H]1CN(C(=O)C2=CC=C(O)C(F)=C2)C[C@H]1CCNC(=O)C1=NSNC1=O	REAL300031545434	0	45	-1.0	-65.12	385.98	2.34	-62.78
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C[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@H]1CCNC(=O)C1=NSNC1=O	REAL300031547342	0	45	-1.0	-74.57	386.54	3.16	-71.41
C[C@@H]1CN(C(=O)CC2=NC([O-])=CS2)C[C@H]1CCNC(=O)C1=NSNC1=O	REAL300031547444	0	44	-1.0	-80.07	393.90	-0.83	-80.90
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C[C@@H]1CN(C(=O)C2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C1=NSNC1=O	REAL300031547593	0	41	-1.0	-60.56	357.80	-2.02	-62.58
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CCNC(=O)C1=NC=CC=C1O	REAL300031547928	0	44	-1.0	-71.18	377.12	2.98	-68.20
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CCNC(=O)C1=NC=CC=C1[O-]	REAL300031547928	1	44	-1.0	-71.18	377.12	2.98	-68.20
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CCNC(=O)C1=NNC(=O)[N-]C1=O	REAL300031548017	0	43	-1.0	-63.08	376.61	-2.54	-65.62
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C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CCNC(=O)C1=CC=CC(F)=C1[O-]	REAL300031549029	0	45	-1.0	-79.23	385.07	4.75	-74.48
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C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CCNC(=O)C1=CC=CN([O-])C1=O	REAL300031549219	0	45	-1.0	-64.50	386.17	3.71	-60.79
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CCNC(=O)C1=CC(F)=CC=C1O	REAL300031549316	0	45	-1.0	-68.58	387.18	4.70	-63.88
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CCNC(=O)C1=CC(F)=CC=C1[O-]	REAL300031549316	1	45	-1.0	-68.58	387.18	4.70	-63.88
CC1=CC=NC(C(=O)NCC[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)=C1O	REAL300031549357	0	47	-1.0	-70.99	397.43	3.67	-67.32
CC1=CC=NC(C(=O)NCC[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)=C1[O-]	REAL300031549357	1	47	-1.0	-70.99	397.43	3.67	-67.32
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CCNC(=O)C1=CN=CC(O)=C1	REAL300031549412	0	44	-1.0	-65.08	377.08	1.25	-63.83
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CCNC(=O)C1=CN=CC([O-])=C1	REAL300031549412	1	44	-1.0	-65.08	377.08	1.25	-63.83
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CCNC(=O)CC1=NC([O-])=CS1	REAL300031549491	0	44	-1.0	-81.08	390.49	-0.55	-81.63
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CCNC(=O)C1=C(O)C=CC=C1F	REAL300031549502	0	45	-1.0	-64.77	390.76	3.03	-61.74
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CCNC(=O)C1=C([O-])C=CC=C1F	REAL300031549502	1	45	-1.0	-64.77	390.76	3.03	-61.74
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C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CCNC(=O)C1=NN(C)C(=O)[N-]1	REAL300031549644	0	44	-1.0	-64.07	383.27	-0.30	-64.37
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CCNC(=O)C1=CC=C(F)C(O)=C1	REAL300031549759	0	45	-1.0	-72.16	388.25	3.10	-69.06
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CCNC(=O)C1=CC=C(F)C([O-])=C1	REAL300031549759	1	45	-1.0	-72.16	388.25	3.10	-69.06
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CCNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300031549806	0	43	-1.0	-58.24	379.07	-3.57	-61.81
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CCNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300031549806	1	43	-1.0	-53.61	378.76	-2.78	-56.39
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C[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031555679	0	42	-1.0	-50.78	376.07	-2.41	-53.19
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C[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031556099	0	39	-1.0	-52.66	343.34	-1.21	-53.87
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C[C@@H]1CN(C(=O)CC2=CC(=O)N(C)[N-]2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031556107	0	45	-1.0	-61.90	390.76	0.95	-60.95
C[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031556135	0	42	-1.0	-74.91	374.37	2.50	-72.41
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C[C@@H]1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031556177	1	41	-1.0	-50.45	374.17	2.32	-48.13
C[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031556194	0	42	-1.0	-66.52	376.01	2.50	-64.02
C[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031556227	0	42	-1.0	-73.25	373.48	2.27	-70.98
C[C@@H]1CN(C(=O)C[N-]C(=O)C(F)(F)F)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031556349	0	41	-1.0	-51.51	378.73	-1.56	-53.07
C[C@@H]1CN(C(=O)CC2=C([O-])N=C(N)S2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031556350	0	43	-1.0	-70.26	388.80	-2.37	-72.63
C[C@@H]1CN(C(=O)CC2=NC([O-])=CS2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031556395	0	41	-1.0	-71.92	373.99	-1.51	-73.43
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C[C@@H]1CN(C(=O)CN2N=CC(=O)[N-]C2=O)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031556422	0	43	-1.0	-61.28	384.62	-2.97	-64.25
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C[C@@H]1CN(C(=O)C2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031556639	0	38	-1.0	-57.45	338.98	-2.70	-60.15
C[C@@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031556750	0	41	-1.0	-66.50	377.64	-0.25	-66.75
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C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=NC=CC=C1[O-]	REAL300031557019	1	41	-1.0	-68.39	356.37	2.30	-66.09
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300031557142	0	40	-1.0	-59.32	355.67	-3.24	-62.56
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)CN1C(=O)[N-]NC1=O	REAL300031557302	0	42	-1.0	-59.91	369.82	-1.59	-61.50
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC(Cl)=CC=C1[O-]	REAL300031558621	1	42	-1.0	-65.34	375.87	4.53	-60.81
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC([O-])=CC(C#N)=C1	REAL300031558646	1	43	-1.0	-55.19	381.99	2.71	-52.48
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C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=COC(=O)[N-]1	REAL300031558747	1	38	-1.0	-57.98	340.21	-2.19	-60.17
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C[N-]C(=O)C(F)(F)F	REAL300031558814	0	41	-1.0	-54.78	375.19	-1.30	-56.08
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)CC1=C([O-])N=C(N)S1	REAL300031558815	0	43	-1.0	-71.02	384.75	-2.10	-73.12
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=C(F)C=C([O-])C=C1F	REAL300031558824	0	42	-1.0	-57.22	376.71	2.41	-54.81
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=C([O-])C=C1F	REAL300031558839	1	42	-1.0	-59.43	364.87	2.46	-56.97
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC([O-])=CC(=O)O1	REAL300031558845	0	41	-1.0	-57.92	363.69	1.62	-56.30
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=C(C#N)C([O-])=C1	REAL300031558852	1	43	-1.0	-66.89	380.58	2.87	-64.02
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC(Cl)=NC=C1[O-]	REAL300031558855	0	41	-1.0	-61.86	371.29	2.60	-59.26
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)CN1N=CC(=O)[N-]C1=O	REAL300031558871	0	43	-1.0	-63.39	381.24	-2.77	-66.16
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)CCC1=NC(=O)[N-]N1	REAL300031558933	1	44	-1.0	-67.44	380.36	-1.48	-68.92
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=C[N-]N=CC1=O	REAL300031558949	0	40	-1.0	-50.56	349.26	0.97	-49.59
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=CC(F)=C1[O-]	REAL300031558958	0	42	-1.0	-70.27	365.16	4.05	-66.22
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=CC([O-])=C1F	REAL300031559044	1	42	-1.0	-69.14	365.48	2.42	-66.72
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC(=O)N[N-]1	REAL300031559142	0	39	-1.0	-56.25	345.04	-1.20	-57.45
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C(=O)[PH](C)(C)[O-]	REAL300031559148	0	44	-1.0	-58.29	376.84	0.51	-57.78
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300031559235	0	42	-1.0	-76.01	366.45	2.97	-73.04
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=NC(=O)N[N-]1	REAL300031559259	0	38	-1.0	-57.38	338.91	-2.43	-59.81
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C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC(F)=CC=C1O	REAL300031559430	0	42	-1.0	-64.89	365.55	4.07	-60.82
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC(F)=CC=C1[O-]	REAL300031559430	1	42	-1.0	-64.89	365.55	4.07	-60.82
CC1=CC=NC(C(=O)NC[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)=C1O	REAL300031559493	0	44	-1.0	-66.53	377.42	2.95	-63.58
CC1=CC=NC(C(=O)NC[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)=C1[O-]	REAL300031559493	1	44	-1.0	-66.53	377.42	2.95	-63.58
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CN=CC(O)=C1	REAL300031559597	0	41	-1.0	-64.88	355.45	0.65	-64.23
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CN=CC([O-])=C1	REAL300031559597	1	41	-1.0	-64.88	355.45	0.65	-64.23
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=CC(=S)N1[O-]	REAL300031559607	0	42	-1.0	-90.23	375.51	4.98	-85.25
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=C([O-])C(Cl)=N1	REAL300031559714	0	41	-1.0	-54.47	375.39	1.10	-53.37
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=C(O)C=C1Cl	REAL300031559752	0	42	-1.0	-58.39	372.84	2.91	-55.48
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=C([O-])C=C1Cl	REAL300031559752	1	42	-1.0	-58.39	372.84	2.91	-55.48
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)CC1=NC([O-])=CS1	REAL300031559763	0	41	-1.0	-72.91	371.73	-1.34	-74.25
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=C(O)C=CC=C1F	REAL300031559778	0	42	-1.0	-65.11	371.76	2.30	-62.81
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=C([O-])C=CC=C1F	REAL300031559778	1	42	-1.0	-65.11	371.76	2.30	-62.81
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)CN1[N-]C(=O)C=CC1=O	REAL300031559780	0	44	-1.0	-61.33	387.01	-0.68	-62.01
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)CC1SC(=O)[N-]C1=O	REAL300031559873	0	42	-1.0	-56.60	378.57	-1.98	-58.58
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=C([O-])C(F)=C1F	REAL300031559898	0	42	-1.0	-61.20	371.71	2.52	-58.68
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=CC(Cl)=C1[O-]	REAL300031559904	0	42	-1.0	-65.13	374.97	4.51	-60.62
CC1=CC(=O)C(C(=O)NC[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)=N[N-]1	REAL300031559932	0	43	-1.0	-58.46	372.83	2.63	-55.83
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300031559957	0	42	-1.0	-86.79	364.39	3.93	-82.86
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=C(C#N)[N-]C1=O	REAL300031559985	0	42	-1.0	-52.62	375.04	0.82	-51.80
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=NN(C)C(=O)[N-]1	REAL300031560031	0	41	-1.0	-61.75	361.44	-0.97	-62.72
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=C(F)C=CC(O)=C1O	REAL300031560080	0	43	-1.0	-68.49	381.78	0.41	-68.08
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300031560080	1	43	-1.0	-68.49	381.78	0.41	-68.08
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC(C#N)=CC=C1[O-]	REAL300031560089	0	43	-1.0	-60.63	380.69	4.37	-56.26
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CN([O-])C(=O)NC1=O	REAL300031560172	0	42	-1.0	-57.41	370.51	0.53	-56.88
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=C(F)C(O)=C1	REAL300031560223	0	42	-1.0	-71.32	366.65	2.49	-68.83
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=C(F)C([O-])=C1	REAL300031560223	1	42	-1.0	-71.32	366.65	2.49	-68.83
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=C(Cl)C=C1O	REAL300031560241	0	42	-1.0	-64.47	374.91	4.52	-59.95
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=C(Cl)C=C1[O-]	REAL300031560241	1	42	-1.0	-64.47	374.91	4.52	-59.95
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300031560308	0	40	-1.0	-60.84	357.24	-4.23	-65.07
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300031560308	1	40	-1.0	-53.97	358.08	-3.43	-57.40
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CN=C(N)[N-]C1=O	REAL300031560362	1	42	-1.0	-57.08	361.81	-0.28	-57.36
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=C(F)C([O-])=C1F	REAL300031560395	0	42	-1.0	-69.05	371.67	2.49	-66.56
COC1=NC(C(=O)NC[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)=CC(=O)[N-]1	REAL300031560437	0	44	-1.0	-61.32	385.03	-3.13	-64.45
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=NC=CC(Cl)=C1[O-]	REAL300031560446	0	41	-1.0	-62.80	373.29	2.78	-60.02
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=C(Cl)C([O-])=C1	REAL300031560484	0	42	-1.0	-67.03	376.45	2.98	-64.05
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=NC=C1[O-]	REAL300031560493	1	41	-1.0	-65.74	355.15	2.14	-63.60
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300031560499	0	38	-1.0	-60.82	339.78	-0.72	-61.54
CC1=C([O-])N=C(C(=O)NC[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)S1	REAL300031560521	1	41	-1.0	-64.79	370.88	-1.05	-65.84
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C(=O)C1=CC=C([O-])C=C1	REAL300031560613	1	44	-1.0	-58.63	381.43	2.19	-56.44
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CN=C(C=N[O-])S1	REAL300031560632	0	41	-1.0	-68.68	379.49	0.42	-68.26
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031560653	1	41	-1.0	-52.47	373.52	2.15	-50.32
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300031560673	0	42	-1.0	-57.39	366.56	-1.92	-59.31
CCN1[N-]C(C(=O)NC[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)=CC1=O	REAL300031560730	0	45	-1.0	-58.77	387.91	1.48	-57.29
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC(=O)N(C)[N-]1	REAL300031560749	0	42	-1.0	-58.62	367.77	0.51	-58.11
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300031560759	0	42	-1.0	-62.38	380.45	-1.24	-63.62
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)CC1=CC(=O)N[N-]1	REAL300031560886	1	42	-1.0	-62.45	364.78	-0.53	-62.98
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=C([O-])C(F)=C1	REAL300031560891	1	42	-1.0	-64.70	366.61	2.52	-62.18
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300031560937	0	42	-1.0	-63.44	372.82	2.61	-60.83
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC=NC(Cl)=C1[O-]	REAL300031560942	0	41	-1.0	-63.12	370.40	2.62	-60.50
CC1=C(CC(=O)NC[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)C(=O)N(C)[N-]1	REAL300031560957	0	48	-1.0	-65.64	408.70	1.79	-63.85
CC1=CN=C(C(=O)NC[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C)C([O-])=C1	REAL300031560993	1	44	-1.0	-69.83	377.82	2.94	-66.89
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CC([O-])=CS1	REAL300031561014	0	39	-1.0	-65.01	354.26	1.27	-63.74
C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300031561030	0	42	-1.0	-71.63	366.79	2.89	-68.74
C[C@@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031561182	0	42	-1.0	-55.22	366.07	0.50	-54.72
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031561189	0	42	-1.0	-55.89	384.31	-1.56	-57.45
C[C@@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031561338	0	40	-1.0	-54.21	357.12	-3.70	-57.91
C[C@@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031561338	1	40	-1.0	-48.33	357.71	-2.91	-51.24
C[C@@H]1CN(C(=O)CN2[N-]C(=O)C=CC2=O)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031561477	0	44	-1.0	-60.58	389.25	-0.89	-61.47
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031561484	0	38	-1.0	-57.73	339.41	-1.09	-58.82
C[C@@H]1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C[C@H]1CNC(=O)C1=NSNC1=O	REAL300031561495	0	42	-1.0	-52.96	371.32	-0.17	-53.13
O=C(NC[C@]12CCC[C@H]1N(C(=O)C1=NSNC1=O)CC2)C1=COC(=O)[N-]1	REAL300031562247	1	42	-1.0	-51.26	356.89	-0.87	-52.13
O=C(CC1=CC(=O)N[N-]1)NC[C@]12CCC[C@H]1N(C(=O)C1=NSNC1=O)CC2	REAL300031562325	1	46	-1.0	-67.83	380.73	0.73	-67.10
CN1N=C(C(=O)NC[C@]23CCC[C@H]2N(C(=O)C2=NSNC2=O)CC3)[N-]C1=O	REAL300031562334	0	45	-1.0	-60.41	379.05	0.32	-60.09
O=C(NC[C@]12CCC[C@H]1N(C(=O)C1=NSNC1=O)CC2)C1=C[N-]N=CC1=O	REAL300031562366	0	44	-1.0	-45.53	364.20	2.25	-43.28
O=C(NC[C@]12CCC[C@H]1N(C(=O)C1=NSNC1=O)CC2)C1=CC(=O)N[N-]1	REAL300031562400	0	43	-1.0	-53.69	362.36	0.09	-53.60
O=C(NC[C@]12CCC[C@H]1N(C(=O)C1=NSNC1=O)CC2)C1=NC(=O)N[N-]1	REAL300031562571	0	42	-1.0	-51.62	356.39	-1.18	-52.80
O=C(NC[C@]12CCC[C@H]1N(C(=O)C1=NC=CC=C1[O-])CC2)C1=NSNC1=O	REAL300031562865	1	45	-1.0	-73.77	374.00	3.72	-70.05
O=C(NC[C@]12CCC[C@H]1N(C(=O)C1=COC(=O)[N-]1)CC2)C1=NSNC1=O	REAL300031563254	1	42	-1.0	-55.54	355.28	-0.07	-55.61
O=C(NC[C@]12CCC[C@H]1N(C(=O)C1=C[N-]N=CC1=O)CC2)C1=NSNC1=O	REAL300031563321	0	44	-1.0	-59.97	374.38	1.53	-58.44
O=C(NC[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)N[N-]1)CC2)C1=NSNC1=O	REAL300031563370	0	43	-1.0	-58.46	360.00	0.03	-58.43
O=C(NC[C@]12CCC[C@H]1N(C(=O)C1=NC(=O)N[N-]1)CC2)C1=NSNC1=O	REAL300031563397	0	42	-1.0	-56.18	355.21	-0.70	-56.88
O=C(NC[C@]12CCC[C@H]1N(C(=O)C1=CN=CC([O-])=C1)CC2)C1=NSNC1=O	REAL300031563492	1	45	-1.0	-56.18	373.52	1.12	-55.06
CN1N=C(C(=O)N2CC[C@@]3(CNC(=O)C4=NSNC4=O)CCC[C@@H]23)[N-]C1=O	REAL300031563581	0	45	-1.0	-65.74	377.96	0.21	-65.53
O=C(NC[C@]12CCC[C@H]1N(C(=O)C1=CC=NC=C1[O-])CC2)C1=NSNC1=O	REAL300031563690	0	45	-1.0	-74.18	374.22	2.43	-71.75
O=C(NC[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1=NSNC1=O	REAL300031563693	0	42	-1.0	-61.18	356.67	0.17	-61.01
CN1[N-]C(C(=O)N2CC[C@@]3(CNC(=O)C4=NSNC4=O)CCC[C@@H]23)=CC1=O	REAL300031563771	0	46	-1.0	-61.16	384.50	1.75	-59.41
O=C(CC1=CC(=O)N[N-]1)N1CC[C@@]2(CNC(=O)C3=NSNC3=O)CCC[C@@H]12	REAL300031563807	1	46	-1.0	-68.32	385.61	0.45	-67.87
O=C(NC[C@]12CCC[C@H]1N(C(=O)C1=CC([O-])=CS1)CC2)C1=NSNC1=O	REAL300031563843	0	43	-1.0	-70.91	367.54	1.73	-69.18
CN1[N-]C(C(=O)NC[C@]23CCC[C@H]2N(C(=O)C2=NSNC2=O)CC3)=CC1=O	REAL300031563899	0	46	-1.0	-56.58	385.13	1.81	-54.77
O=C(NC[C@]12CCC[C@H]1N(C(=O)C1=NSNC1=O)CC2)C1=CC(=O)[N-]O1	REAL300031564008	0	42	-1.0	-57.56	357.11	0.58	-56.98
CC1(CNC(=O)C2=NNC(=O)[N-]C2=O)CN(C(=O)C2=NSNC2=O)CCO1	REAL300031564724	0	41	-1.0	-58.45	354.37	-4.43	-62.88
CC1(CNC(=O)CN2C(=O)[N-]NC2=O)CN(C(=O)C2=NSNC2=O)CCO1	REAL300031564768	0	43	-1.0	-60.37	368.49	-2.77	-63.14
CC1(CNC(=O)C2=CN([O-])C(=O)C=C2)CN(C(=O)C2=NSNC2=O)CCO1	REAL300031565105	0	43	-1.0	-70.56	366.15	1.77	-68.79
CC1(CNC(=O)C2=CC(=O)NC([O-])=C2)CN(C(=O)C2=NSNC2=O)CCO1	REAL300031565177	0	43	-1.0	-52.25	365.91	-3.20	-55.45
CC1(CNC(=O)C2=COC(=O)[N-]2)CN(C(=O)C2=NSNC2=O)CCO1	REAL300031565187	1	39	-1.0	-53.31	337.98	-3.35	-56.66
CCN1[N-]C(C(=O)NCC2(C)CN(C(=O)C3=NSNC3=O)CCO2)=CC1=O	REAL300031565291	0	46	-1.0	-57.15	387.36	0.27	-56.88
CC1(CNC(=O)CC2=CC(=O)N[N-]2)CN(C(=O)C2=NSNC2=O)CCO1	REAL300031565298	1	43	-1.0	-63.25	363.49	-1.73	-64.98
CN1N=C(C(=O)NCC2(C)CN(C(=O)C3=NSNC3=O)CCO2)[N-]C1=O	REAL300031565316	0	42	-1.0	-59.85	360.06	-2.16	-62.01
CC1(CNC(=O)C2=C[N-]N=CC2=O)CN(C(=O)C2=NSNC2=O)CCO1	REAL300031565366	0	41	-1.0	-47.12	347.03	-0.21	-47.33
CC1(CNC(=O)C2=CC(=O)N[N-]2)CN(C(=O)C2=NSNC2=O)CCO1	REAL300031565421	0	40	-1.0	-53.61	342.81	-2.37	-55.98
CC1(CNC(=O)C(=O)[PH](C)(C)[O-])CN(C(=O)C2=NSNC2=O)CCO1	REAL300031565426	0	45	-1.0	-53.00	376.96	-0.87	-53.87
CC1(CNC(=O)CCC2=NC(=O)NN2)CN(C(=O)C2=NSNC2=O)CCO1	REAL300031565444	0	45	-1.0	-63.93	378.73	-2.69	-66.62
CC1(CNC(=O)CCC2=NC(=O)[N-]N2)CN(C(=O)C2=NSNC2=O)CCO1	REAL300031565444	1	45	-1.0	-63.93	378.73	-2.69	-66.62
CC1(CNC(=O)C2=CC=CN([O-])C2=O)CN(C(=O)C2=NSNC2=O)CCO1	REAL300031565446	0	43	-1.0	-64.38	363.47	1.90	-62.48
CC1SC(C(=O)NCC2(C)CN(C(=O)C3=NSNC3=O)CCO2)=NC1=O	REAL300031565463	0	42	-1.0	-58.95	369.35	-2.24	-61.19
CC1=C([O-])N=C(C(=O)NCC2(C)CN(C(=O)C3=NSNC3=O)CCO2)S1	REAL300031565463	1	42	-1.0	-58.95	369.35	-2.24	-61.19
CC1(CNC(=O)C2=CC(=O)N([O-])C=C2)CN(C(=O)C2=NSNC2=O)CCO1	REAL300031565477	0	43	-1.0	-71.07	365.82	1.70	-69.37
CC1(CNC(=O)C2=CC=CC(=O)N2[O-])CN(C(=O)C2=NSNC2=O)CCO1	REAL300031565497	0	43	-1.0	-85.66	362.89	2.71	-82.95
CC1(CNC(=O)CC2=NC([O-])=CS2)CN(C(=O)C2=NSNC2=O)CCO1	REAL300031565596	0	42	-1.0	-73.77	369.28	-2.46	-76.23
CC1=CC(=O)C(C(=O)NCC2(C)CN(C(=O)C3=NSNC3=O)CCO2)=N[N-]1	REAL300031565732	0	44	-1.0	-57.35	371.53	1.43	-55.92
CC1(CNC(=O)C2=NNC(=O)[N-]2)CN(C(=O)C2=NSNC2=O)CCO1	REAL300031565741	0	39	-1.0	-56.91	337.30	-3.83	-60.74
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NC=CC=C2[O-])CCO1	REAL300031566070	1	42	-1.0	-63.56	357.43	0.83	-62.73
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NNC(=O)[N-]C2=O)CCO1	REAL300031566160	0	41	-1.0	-56.67	354.46	-4.52	-61.19
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)CN2C(=O)[N-]NC2=O)CCO1	REAL300031566241	0	43	-1.0	-58.96	371.96	-2.98	-61.94
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=COC(=O)[N-]2)CCO1	REAL300031567005	1	39	-1.0	-48.48	337.74	-2.23	-50.71
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C([O-])C=C2F)CCO1	REAL300031567066	1	43	-1.0	-56.04	369.08	0.69	-55.35
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC([O-])=CC(=O)O2)CCO1	REAL300031567069	0	42	-1.0	-51.96	365.29	0.08	-51.88
CC1=CC=C([O-])C(C(=O)N2CCOC(C)(CNC(=O)C3=NSNC3=O)C2)=N1	REAL300031567113	1	45	-1.0	-64.34	379.06	1.40	-62.94
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=C[N-]N=CC2=O)CCO1	REAL300031567123	0	41	-1.0	-49.55	356.33	-0.82	-50.37
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CC(F)=C2[O-])CCO1	REAL300031567130	0	43	-1.0	-67.31	369.01	1.14	-66.17
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CC([O-])=C2F)CCO1	REAL300031567181	1	43	-1.0	-64.90	369.23	0.68	-64.22
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)N[N-]2)CCO1	REAL300031567242	0	40	-1.0	-50.48	342.62	-2.33	-52.81
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C(=O)[PH](C)(C)[O-])CCO1	REAL300031567247	0	45	-1.0	-48.81	377.18	-1.40	-50.21
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)N([O-])C=C2)CCO1	REAL300031567292	0	43	-1.0	-65.47	373.31	1.33	-64.14
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NNC(=O)[N-]2)CCO1	REAL300031567306	0	39	-1.0	-54.44	337.32	-3.82	-58.26
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CN([O-])C2=O)CCO1	REAL300031567309	0	43	-1.0	-72.56	372.63	1.29	-71.27
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(F)=CC=C2O)CCO1	REAL300031567403	0	43	-1.0	-58.39	368.82	1.55	-56.84
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(F)=CC=C2[O-])CCO1	REAL300031567403	1	43	-1.0	-58.39	368.82	1.55	-56.84
CC1=CC=NC(C(=O)N2CCOC(C)(CNC(=O)C3=NSNC3=O)C2)=C1O	REAL300031567443	0	45	-1.0	-63.23	377.79	1.54	-61.69
CC1=CC=NC(C(=O)N2CCOC(C)(CNC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300031567443	1	45	-1.0	-63.23	377.79	1.54	-61.69
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=CC(O)=C2)CCO1	REAL300031567497	0	42	-1.0	-56.15	358.05	-1.27	-57.42
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=CC([O-])=C2)CCO1	REAL300031567497	1	42	-1.0	-56.15	358.05	-1.27	-57.42
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)CC2=NC([O-])=CS2)CCO1	REAL300031567569	0	42	-1.0	-72.22	372.55	-2.63	-74.85
CC1=CC(=O)C(C(=O)N2CCOC(C)(CNC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031567662	0	44	-1.0	-53.97	371.65	1.37	-52.60
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CC(=O)N2[O-])CCO1	REAL300031567676	0	43	-1.0	-69.02	365.71	1.45	-67.57
CN1N=C(C(=O)N2CCOC(C)(CNC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031567717	0	42	-1.0	-57.46	360.16	-2.15	-59.61
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(F)C(O)=C2)CCO1	REAL300031567826	0	43	-1.0	-63.10	368.48	0.64	-62.46
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(F)C([O-])=C2)CCO1	REAL300031567826	1	43	-1.0	-63.10	368.48	0.64	-62.46
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCO1	REAL300031567868	0	41	-1.0	-51.45	356.04	-4.71	-56.16
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCO1	REAL300031567868	1	41	-1.0	-46.47	357.04	-3.93	-50.40
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=C(N)[N-]C2=O)CCO1	REAL300031567902	1	43	-1.0	-57.42	370.79	-2.16	-59.58
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=NC=C2[O-])CCO1	REAL300031567974	0	42	-1.0	-61.57	357.89	-0.94	-62.51
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300031567979	0	39	-1.0	-54.93	337.57	-2.34	-57.27
CC1=C([O-])N=C(C(=O)N2CCOC(C)(CNC(=O)C3=NSNC3=O)C2)S1	REAL300031567993	1	42	-1.0	-53.89	369.61	-1.51	-55.40
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)NC([O-])=C2)CCO1	REAL300031568082	0	43	-1.0	-49.67	373.41	-3.56	-53.23
CCN1[N-]C(C(=O)N2CCOC(C)(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031568119	0	46	-1.0	-54.96	387.51	0.34	-54.62
CN1[N-]C(C(=O)N2CCOC(C)(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031568134	0	43	-1.0	-54.34	365.70	-0.59	-54.93
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)CC2=CC(=O)N[N-]2)CCO1	REAL300031568210	1	43	-1.0	-61.83	366.70	-1.92	-63.75
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C([O-])C(F)=C2)CCO1	REAL300031568214	1	43	-1.0	-58.42	368.46	0.69	-57.73
CC1=CN=C(C(=O)N2CCOC(C)(CNC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300031568267	1	45	-1.0	-64.79	378.90	1.47	-63.32
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC([O-])=CS2)CCO1	REAL300031568278	0	40	-1.0	-60.98	353.31	-0.44	-61.42
CC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CN([O-])C(=O)C=C2)CCO1	REAL300031568289	0	43	-1.0	-65.01	373.08	1.32	-63.69
CN1[N-]C(C(=O)NCC2(C)CN(C(=O)C3=NSNC3=O)CCO2)=CC1=O	REAL300031568377	0	43	-1.0	-56.24	366.32	-0.59	-56.83
CC1(CNC(=O)C2=NC(=O)[N-]C(=O)N2)CN(C(=O)C2=NSNC2=O)CCO1	REAL300031568458	0	41	-1.0	-49.77	357.28	-4.60	-54.37
CC1(CNC(=O)C2=NC(=O)NC(=O)[N-]2)CN(C(=O)C2=NSNC2=O)CCO1	REAL300031568458	1	41	-1.0	-49.77	357.28	-4.60	-54.37
CC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NSNC2=O)CCO1	REAL300031568549	0	39	-1.0	-57.17	338.25	-1.81	-58.98
O=C(NC1CC(=O)N(C2CN(C(=O)C3=NSNC3=O)C2)C1)C1=COC(=O)[N-]1	REAL300031569093	1	40	-1.0	-55.87	362.09	-3.49	-59.36
O=C(NC1CC(=O)N(C2CN(C(=O)C3=NSNC3=O)C2)C1)C1=CC(=O)N[N-]1	REAL300031569175	0	41	-1.0	-56.41	366.92	-2.49	-58.90
O=C(NC1CC(=O)N(C2CN(C(=O)C3=NSNC3=O)C2)C1)C1=NC(=O)N[N-]1	REAL300031569246	0	40	-1.0	-55.88	361.51	-3.80	-59.68
O=C(NC1CC(=O)N(C2CN(C(=O)C3=COC(=O)[N-]3)C2)C1)C1=NSNC1=O	REAL300031569599	1	40	-1.0	-63.63	362.28	-3.09	-66.72
O=C(NC1CC(=O)N(C2CN(C(=O)C3=CC(=O)N[N-]3)C2)C1)C1=NSNC1=O	REAL300031569653	0	41	-1.0	-62.66	367.07	-2.53	-65.19
O=C(NC1CC(=O)N(C2CN(C(=O)C3=NNC(=O)[N-]3)C2)C1)C1=NSNC1=O	REAL300031569666	0	40	-1.0	-66.05	361.69	-4.00	-70.05
O=C(NC1CC(=O)N(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=NSNC1=O	REAL300031569815	0	40	-1.0	-66.26	362.09	-2.21	-68.47
O=C(NC1CC(=O)N(C2CN(C(=O)C3=NSNC3=O)C2)C1)C1=CC(=O)[N-]O1	REAL300031569977	0	40	-1.0	-62.13	361.66	-2.01	-64.14
O=C(NC1CC2CC(C1)N(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=NSNC1=O	REAL300031570753	0	41	-1.0	-76.86	350.98	-2.48	-79.34
O=C(CN1C(=O)[N-]NC1=O)N1CC2CC1CC(NC(=O)C1=NSNC1=O)C2	REAL300031570804	0	43	-1.0	-49.17	339.45	0.82	-48.35
N#CC1=CC([O-])=CC(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)=C1	REAL300031573254	1	44	-1.0	-42.83	343.11	4.91	-37.92
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=COC(=O)[N-]1	REAL300031573321	1	39	-1.0	-59.33	334.80	-1.36	-60.69
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CC=C([O-])C=C1F	REAL300031573390	1	43	-1.0	-43.46	325.22	4.00	-39.46
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CC([O-])=CC(=O)O1	REAL300031573394	0	42	-1.0	-46.19	326.17	3.67	-42.52
N#CC1=CC=C(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)C=C1[O-]	REAL300031573397	1	44	-1.0	-59.37	376.72	3.60	-55.77
O=C(CCC1=NC(=O)[N-]N1)NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2	REAL300031573449	1	45	-1.0	-52.18	356.77	0.73	-51.45
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=C[N-]N=CC1=O	REAL300031573459	0	41	-1.0	-42.74	306.42	2.52	-40.22
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CC=CC(F)=C1[O-]	REAL300031573466	0	43	-1.0	-58.28	324.76	5.53	-52.75
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CC=CC([O-])=C1F	REAL300031573530	1	43	-1.0	-53.23	325.06	3.99	-49.24
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CC(=O)N[N-]1	REAL300031573602	0	40	-1.0	-62.71	339.80	-0.38	-63.09
C[PH](C)([O-])C(=O)C(=O)NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2	REAL300031573607	0	45	-1.0	-60.90	372.53	0.93	-59.97
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CC(=O)N([O-])C=C1	REAL300031573657	0	43	-1.0	-81.70	362.60	3.67	-78.03
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=NNC(=O)[N-]1	REAL300031573674	0	39	-1.0	-66.33	334.39	-1.87	-68.20
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CC=CN([O-])C1=O	REAL300031573679	0	43	-1.0	-64.76	323.32	5.24	-59.52
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CC(F)=CC=C1O	REAL300031573785	0	43	-1.0	-52.74	323.44	5.62	-47.12
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CC(F)=CC=C1[O-]	REAL300031573785	1	43	-1.0	-52.74	323.44	5.62	-47.12
CC1=CC=NC(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)=C1O	REAL300031573827	0	45	-1.0	-78.52	371.96	3.73	-74.79
CC1=CC=NC(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)=C1[O-]	REAL300031573827	1	45	-1.0	-78.52	371.96	3.73	-74.79
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CN=CC(O)=C1	REAL300031573887	0	42	-1.0	-70.92	351.60	1.36	-69.56
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CN=CC([O-])=C1	REAL300031573887	1	42	-1.0	-70.92	351.60	1.36	-69.56
O=C(CC1=NC([O-])=CS1)NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2	REAL300031573980	0	42	-1.0	-88.39	366.11	-0.46	-88.85
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=C([O-])C=CC=C1F	REAL300031573991	1	43	-1.0	-51.38	340.32	4.46	-46.92
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CC=C(F)C=C1[O-]	REAL300031573992	0	43	-1.0	-52.07	324.92	5.53	-46.54
CC1=CC(=O)C(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300031574086	0	44	-1.0	-67.88	368.35	3.41	-64.47
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CC=CC(=O)N1[O-]	REAL300031574101	0	43	-1.0	-66.25	323.79	5.42	-60.83
CN1N=C(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300031574147	0	42	-1.0	-69.82	357.05	-0.19	-70.01
N#CC1=CC=C(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)C([O-])=C1	REAL300031574180	0	44	-1.0	-49.18	339.38	5.87	-43.31
N#CC1=CC=C([O-])C(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)=C1	REAL300031574186	0	44	-1.0	-49.30	337.22	5.81	-43.49
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CC=C(F)C([O-])=C1	REAL300031574276	1	43	-1.0	-62.96	362.79	3.21	-59.75
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=NC(=O)[N-]C(=O)N1	REAL300031574326	0	41	-1.0	-44.41	320.52	-0.65	-45.06
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=NC(=O)NC(=O)[N-]1	REAL300031574326	1	41	-1.0	-44.41	320.52	-0.65	-45.06
NC1=NC=C(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)C(=O)N1	REAL300031574362	0	43	-1.0	-58.94	358.10	0.48	-58.46
NC1=NC=C(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300031574362	1	43	-1.0	-58.94	358.10	0.48	-58.46
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CC=NC=C1O	REAL300031574445	0	42	-1.0	-80.07	349.91	2.95	-77.12
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CC=NC=C1[O-]	REAL300031574445	1	42	-1.0	-80.07	349.91	2.95	-77.12
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CC(=O)[N-]O1	REAL300031574450	0	39	-1.0	-65.69	334.33	0.11	-65.58
CC1SC(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)=NC1=O	REAL300031574466	0	42	-1.0	-64.35	366.36	-0.26	-64.61
CC1=C([O-])N=C(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)S1	REAL300031574466	1	42	-1.0	-64.35	366.36	-0.26	-64.61
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CC(=O)NC([O-])=C1	REAL300031574565	0	43	-1.0	-61.09	362.69	-1.22	-62.31
CCN1[N-]C(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031574607	0	46	-1.0	-66.46	384.14	2.27	-64.19
CN1[N-]C(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031574623	0	43	-1.0	-65.35	362.64	1.30	-64.05
O=C(CC1=CC(=O)NN1)NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2	REAL300031574704	0	43	-1.0	-75.67	360.26	0.27	-75.40
O=C(CC1=CC(=O)N[N-]1)NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2	REAL300031574704	1	43	-1.0	-75.67	360.26	0.27	-75.40
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CC=C(O)C(F)=C1	REAL300031574708	0	43	-1.0	-65.81	362.76	3.26	-62.55
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CC=C([O-])C(F)=C1	REAL300031574708	1	43	-1.0	-65.81	362.76	3.26	-62.55
CC1=CN=C(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)C(O)=C1	REAL300031574770	0	45	-1.0	-80.60	373.30	3.68	-76.92
CC1=CN=C(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)C([O-])=C1	REAL300031574770	1	45	-1.0	-80.60	373.30	3.68	-76.92
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CC([O-])=CS1	REAL300031574783	0	40	-1.0	-50.82	316.24	2.85	-47.97
O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CN([O-])C(=O)C=C1	REAL300031574794	0	43	-1.0	-81.93	362.23	3.71	-78.22
CN1[N-]C(C(=O)N2CC3CC2CC(NC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031574891	0	43	-1.0	-75.00	362.77	1.25	-73.75
O=C(NC1CC2CC(C1)N(C(=O)C1=NC(=O)[N-]C(=O)N1)C2)C1=NSNC1=O	REAL300031574986	0	41	-1.0	-68.91	352.57	-2.91	-71.82
O=C(NC1CC2CC(C1)N(C(=O)C1=NC(=O)NC(=O)[N-]1)C2)C1=NSNC1=O	REAL300031574986	1	41	-1.0	-66.60	353.22	-2.14	-68.74
O=C(NC1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NSNC1=O	REAL300031575092	0	39	-1.0	-73.99	334.85	-0.24	-74.23
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=NNC(=O)[N-]C1=O	REAL300031576359	0	38	-1.0	-66.26	335.49	-2.40	-68.66
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O	REAL300031576450	0	40	-1.0	-70.19	349.43	-0.76	-70.95
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CN([O-])C(=O)C=C1	REAL300031577076	0	40	-1.0	-80.66	346.84	3.75	-76.91
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CC(=O)NC([O-])=C1	REAL300031577196	0	40	-1.0	-58.32	346.98	-1.19	-59.51
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300031577207	1	36	-1.0	-55.83	319.19	-1.30	-57.13
O=C([N-][C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C(F)(F)C(F)(F)F	REAL300031577301	0	35	-1.0	-45.67	323.87	2.02	-43.65
CCN1[N-]C(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=NSNC2=O)=CC1=O	REAL300031577383	0	43	-1.0	-63.02	368.78	2.28	-60.74
O=C(CC1=CC(=O)N[N-]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O	REAL300031577391	1	40	-1.0	-73.46	344.37	0.29	-73.17
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CC=CC(=S)N1[O-]	REAL300031577409	0	40	-1.0	-103.86	355.50	5.76	-98.10
O=C(CC1SC(=O)[N-]C1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O	REAL300031577419	0	40	-1.0	-61.89	358.12	-1.20	-63.09
CN1N=C(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=NSNC2=O)[N-]C1=O	REAL300031577435	0	39	-1.0	-65.84	340.96	-0.16	-66.00
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=C[N-]N=CC1=O	REAL300031577526	0	38	-1.0	-49.39	328.49	1.79	-47.60
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300031577633	0	37	-1.0	-58.81	323.73	-0.37	-59.18
C[PH](C)([O-])C(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O	REAL300031577638	0	42	-1.0	-58.06	356.93	0.98	-57.08
O=C(CCC1=NC(=O)NN1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O	REAL300031577666	0	42	-1.0	-69.03	360.03	-0.66	-69.69
O=C(CCC1=NC(=O)[N-]N1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O	REAL300031577666	1	42	-1.0	-69.03	360.03	-0.66	-69.69
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CC=CN([O-])C1=O	REAL300031577670	0	40	-1.0	-62.93	344.23	3.89	-59.04
CC1SC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=NSNC2=O)=NC1=O	REAL300031577699	0	39	-1.0	-60.87	350.74	-0.23	-61.10
CC1=C([O-])N=C(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=NSNC2=O)S1	REAL300031577699	1	39	-1.0	-60.87	350.74	-0.23	-61.10
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CC(=O)C=C(Cl)N1	REAL300031577713	0	39	-1.0	-55.95	354.05	2.96	-52.99
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031577713	1	39	-1.0	-55.95	354.05	2.96	-52.99
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CC(=O)N([O-])C=C1	REAL300031577732	0	40	-1.0	-80.33	347.28	3.74	-76.59
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CC=CC(=O)N1[O-]	REAL300031577767	0	40	-1.0	-99.11	344.38	4.72	-94.39
NC1=NC([O-])=C(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=NSNC2=O)S1	REAL300031577897	0	41	-1.0	-82.75	365.30	-1.29	-84.04
O=C(CC1=NC([O-])=CS1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O	REAL300031577945	0	39	-1.0	-86.06	350.41	-0.42	-86.48
CCC1=NC=C(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031577963	1	44	-1.0	-53.41	369.14	2.17	-51.24
O=C(CN1N=CC(=O)[N-]C1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O	REAL300031577972	0	41	-1.0	-75.57	359.80	-1.88	-77.45
CC1=CC(=O)C(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=NSNC2=O)=N[N-]1	REAL300031578191	0	41	-1.0	-63.35	352.81	3.43	-59.92
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=NNC(=O)[N-]1	REAL300031578206	0	36	-1.0	-62.70	318.24	-1.79	-64.49
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CN=C(C=N[O-])S1	REAL300031578323	0	39	-1.0	-72.84	359.05	1.23	-71.61
COC1=NC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300031578338	0	42	-1.0	-64.71	364.81	-2.35	-67.06
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NC=CC=C1[O-])C1=NSNC1=O	REAL300031578595	1	39	-1.0	-78.19	335.79	3.31	-74.88
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NNC(=O)[N-]C1=O)C1=NSNC1=O	REAL300031578722	0	38	-1.0	-67.14	335.37	-2.49	-69.63
O=C(CN1C(=O)[N-]NC1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=NSNC1=O)C2	REAL300031578894	0	40	-1.0	-70.59	353.50	-1.00	-71.59
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(Cl)=CC=C1[O-])C1=NSNC1=O	REAL300031580315	1	40	-1.0	-68.11	355.24	4.61	-63.50
N#CC1=CC([O-])=CC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NSNC2=O)C3)=C1	REAL300031580340	1	41	-1.0	-63.29	362.07	2.89	-60.40
CCC1=NC=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300031580428	1	44	-1.0	-70.68	379.60	1.56	-69.12
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=COC(=O)[N-]1)C1=NSNC1=O	REAL300031580447	1	36	-1.0	-56.96	319.03	-0.66	-57.62
O=C(C[N-]C(=O)C(F)(F)F)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=NSNC1=O)C2	REAL300031580517	0	39	-1.0	-61.08	358.15	-0.67	-61.75
NC1=NC([O-])=C(CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NSNC2=O)C3)S1	REAL300031580518	0	41	-1.0	-83.23	369.36	-1.50	-84.73
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=C(F)C=C([O-])C=C1F)C1=NSNC1=O	REAL300031580528	0	40	-1.0	-58.49	360.78	2.89	-55.60
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C([O-])C=C1F)C1=NSNC1=O	REAL300031580543	1	40	-1.0	-63.88	353.91	2.81	-61.07
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC([O-])=CC(=O)O1)C1=NSNC1=O	REAL300031580549	0	39	-1.0	-58.28	344.00	2.02	-56.26
N#CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NSNC2=O)C3)C=C1[O-]	REAL300031580556	1	41	-1.0	-56.26	360.60	2.95	-53.31
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(Cl)=NC=C1[O-])C1=NSNC1=O	REAL300031580559	0	39	-1.0	-69.25	352.95	2.36	-66.89
O=C(CN1N=CC(=O)[N-]C1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=NSNC1=O)C2	REAL300031580577	0	41	-1.0	-75.06	364.04	-2.07	-77.13
CC1=CC=C([O-])C(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NSNC2=O)C3)=N1	REAL300031580640	1	42	-1.0	-78.86	357.53	3.84	-75.02
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=C[N-]N=CC1=O)C1=NSNC1=O	REAL300031580658	0	38	-1.0	-61.67	332.18	1.12	-60.55
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=CC(F)=C1[O-])C1=NSNC1=O	REAL300031580667	0	40	-1.0	-72.85	348.46	3.73	-69.12
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=CC([O-])=C1F)C1=NSNC1=O	REAL300031580763	1	40	-1.0	-70.39	348.76	2.66	-67.73
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)N[N-]1)C1=NSNC1=O	REAL300031580871	0	37	-1.0	-60.38	323.75	-0.42	-60.80
C[PH](C)([O-])C(=O)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=NSNC1=O)C2	REAL300031580877	0	42	-1.0	-60.00	357.68	0.71	-59.29
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)N([O-])C=C1)C1=NSNC1=O	REAL300031580973	0	40	-1.0	-78.00	346.35	3.08	-74.92
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NC(=O)N[N-]1)C1=NSNC1=O	REAL300031580998	0	36	-1.0	-57.55	318.66	-1.19	-58.74
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=C([O-])C=CC=C1Cl)C1=NSNC1=O	REAL300031581001	1	40	-1.0	-71.30	363.87	3.31	-67.99
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=CN([O-])C1=O)C1=NSNC1=O	REAL300031581005	0	40	-1.0	-82.78	342.65	3.08	-79.70
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=C(F)C=CC([O-])=C1F)C1=NSNC1=O	REAL300031581034	1	40	-1.0	-66.49	360.80	2.91	-63.58
NC1=CC(=O)[N-]C(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NSNC2=O)C3)=N1	REAL300031581121	0	40	-1.0	-71.30	347.81	-0.78	-72.08
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C([O-])C(Cl)=C1)C1=NSNC1=O	REAL300031581173	0	40	-1.0	-62.99	356.41	3.09	-59.90
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(F)=CC=C1[O-])C1=NSNC1=O	REAL300031581178	1	40	-1.0	-68.49	344.91	4.16	-64.33
CC1=CC=NC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NSNC2=O)C3)=C1[O-]	REAL300031581243	1	42	-1.0	-77.77	356.08	3.99	-73.78
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CN=CC([O-])=C1)C1=NSNC1=O	REAL300031581358	1	39	-1.0	-57.90	336.24	0.72	-57.18
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=CC(=S)N1[O-])C1=NSNC1=O	REAL300031581368	0	40	-1.0	-84.09	363.31	3.74	-80.35
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C([O-])C(Cl)=N1)C1=NSNC1=O	REAL300031581480	0	39	-1.0	-54.25	354.16	2.08	-52.17
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C([O-])C=C1Cl)C1=NSNC1=O	REAL300031581522	1	40	-1.0	-63.40	362.92	3.18	-60.22
O=C(CC1=NC([O-])=CS1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=NSNC1=O)C2	REAL300031581533	0	39	-1.0	-84.05	354.54	-0.62	-84.67
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=C([O-])C=CC=C1F)C1=NSNC1=O	REAL300031581548	0	40	-1.0	-72.72	354.38	2.93	-69.79
O=C(CN1[N-]C(=O)C=CC1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=NSNC1=O)C2	REAL300031581550	0	42	-1.0	-70.75	369.81	0.03	-70.72
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(F)C=C1[O-])C1=NSNC1=O	REAL300031581551	0	40	-1.0	-67.20	353.81	2.87	-64.33
CC1=CC=C(F)C([O-])=C1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=NSNC1=O)C2	REAL300031581588	0	43	-1.0	-77.47	373.90	3.49	-73.98
O=C(CC1SC(=O)[N-]C1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=NSNC1=O)C2	REAL300031581657	0	40	-1.0	-59.86	362.20	-1.41	-61.27
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C([O-])C(F)=C1F)C1=NSNC1=O	REAL300031581682	0	40	-1.0	-64.14	351.16	2.65	-61.49
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=CC(Cl)=C1[O-])C1=NSNC1=O	REAL300031581689	0	40	-1.0	-68.24	358.28	4.19	-64.05
CC1=CC(=O)C(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300031581718	0	41	-1.0	-66.15	352.52	3.37	-62.78
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=CC(=O)N1[O-])C1=NSNC1=O	REAL300031581743	0	40	-1.0	-82.78	352.47	3.11	-79.67
N#CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300031581773	0	40	-1.0	-60.67	356.96	0.93	-59.74
CN1N=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300031581822	0	39	-1.0	-68.10	341.71	-0.22	-68.32
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=C(F)C=CC(O)=C1O)C1=NSNC1=O	REAL300031581875	0	41	-1.0	-71.88	365.17	1.01	-70.87
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=C(F)C=CC(O)=C1[O-])C1=NSNC1=O	REAL300031581875	1	41	-1.0	-71.88	365.17	1.01	-70.87
N#CC1=CC=C([O-])C(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NSNC2=O)C3)=C1	REAL300031581884	0	41	-1.0	-65.79	359.35	4.48	-61.31
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CN([O-])C(=O)NC1=O)C1=NSNC1=O	REAL300031581978	0	40	-1.0	-62.97	359.93	0.76	-62.21
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(F)C([O-])=C1)C1=NSNC1=O	REAL300031582031	1	40	-1.0	-73.84	346.65	2.59	-71.25
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(Cl)C=C1[O-])C1=NSNC1=O	REAL300031582050	1	40	-1.0	-67.31	364.06	3.31	-64.00
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NC(=O)[N-]C(=O)N1)C1=NSNC1=O	REAL300031582120	0	38	-1.0	-54.69	337.36	-2.16	-56.85
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NC(=O)NC(=O)[N-]1)C1=NSNC1=O	REAL300031582120	1	38	-1.0	-54.69	337.36	-2.16	-56.85
NC1=NC=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NSNC2=O)C3)C(=O)N1	REAL300031582180	0	40	-1.0	-71.18	352.96	-0.09	-71.27
NC1=NC=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300031582180	1	40	-1.0	-71.18	352.96	-0.09	-71.27
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NC=CC(Cl)=C1[O-])C1=NSNC1=O	REAL300031582270	0	39	-1.0	-73.95	352.01	3.80	-70.15
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1)C1=NSNC1=O	REAL300031582323	0	36	-1.0	-62.98	318.93	-0.23	-63.21
CC1SC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NSNC2=O)C3)=NC1=O	REAL300031582346	0	39	-1.0	-61.18	350.97	0.20	-60.98
CC1=C([O-])N=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NSNC2=O)C3)S1	REAL300031582346	1	39	-1.0	-61.18	350.97	0.20	-60.98
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(=O)C1=CC=C(O)C=C1)C1=NSNC1=O	REAL300031582440	0	42	-1.0	-62.29	361.76	2.81	-59.48
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(=O)C1=CC=C([O-])C=C1)C1=NSNC1=O	REAL300031582440	1	42	-1.0	-62.29	361.76	2.81	-59.48
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CN=C(C=N[O-])S1)C1=NSNC1=O	REAL300031582461	0	39	-1.0	-73.34	357.95	0.58	-72.76
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)C=C(Cl)N1)C1=NSNC1=O	REAL300031582485	0	39	-1.0	-57.13	353.76	3.11	-54.02
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=NSNC1=O	REAL300031582485	1	39	-1.0	-57.13	353.76	3.11	-54.02
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)NC([O-])=C1)C1=NSNC1=O	REAL300031582507	0	40	-1.0	-63.68	346.44	-1.82	-65.50
CCN1[N-]C(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031582568	0	43	-1.0	-64.57	368.82	2.22	-62.35
CN1[N-]C(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031582589	0	40	-1.0	-63.68	347.10	1.29	-62.39
O=C(CSC1=NNC(=O)[N-]1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=NSNC1=O)C2	REAL300031582599	0	40	-1.0	-63.81	365.06	-0.69	-64.50
O=C(CC1=CC(=O)NN1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=NSNC1=O)C2	REAL300031582735	0	40	-1.0	-72.90	348.70	0.10	-72.80
O=C(CC1=CC(=O)N[N-]1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=NSNC1=O)C2	REAL300031582735	1	40	-1.0	-72.90	348.70	0.10	-72.80
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(O)C(F)=C1)C1=NSNC1=O	REAL300031582740	0	40	-1.0	-67.67	346.62	2.62	-65.05
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C([O-])C(F)=C1)C1=NSNC1=O	REAL300031582740	1	40	-1.0	-67.67	346.62	2.62	-65.05
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(F)=C([O-])C(F)=C1)C1=NSNC1=O	REAL300031582787	0	40	-1.0	-63.29	353.67	2.67	-60.62
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=NC(Cl)=C1[O-])C1=NSNC1=O	REAL300031582792	0	39	-1.0	-74.35	352.52	2.36	-71.99
CC1=CN=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NSNC2=O)C3)C(O)=C1	REAL300031582843	0	42	-1.0	-79.45	357.10	3.91	-75.54
CC1=CN=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2=NSNC2=O)C3)C([O-])=C1	REAL300031582843	1	42	-1.0	-79.45	357.10	3.91	-75.54
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC([O-])=CS1)C1=NSNC1=O	REAL300031582866	0	37	-1.0	-72.81	331.18	1.42	-71.39
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CN([O-])C(=O)C=C1)C1=NSNC1=O	REAL300031582882	0	40	-1.0	-79.22	354.67	3.39	-75.83
CN1[N-]C(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=NSNC2=O)=CC1=O	REAL300031583047	0	40	-1.0	-62.03	346.83	1.40	-60.63
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O	REAL300031583054	0	40	-1.0	-65.35	360.73	-0.53	-65.88
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=NC(=O)[N-]C(=O)N1	REAL300031583216	0	38	-1.0	-58.20	337.02	-3.38	-61.58
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=NC(=O)NC(=O)[N-]1	REAL300031583216	1	38	-1.0	-54.29	337.65	-2.62	-56.91
O=C(CN1[N-]C(=O)C=CC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O	REAL300031583367	0	42	-1.0	-70.37	365.72	0.25	-70.12
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300031583375	0	36	-1.0	-62.84	318.67	0.14	-62.70
O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CN([O-])C(=O)NC1=O	REAL300031583388	0	40	-1.0	-58.05	349.43	1.34	-56.71
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=NNC(=O)[N-]C1=O	REAL300031584674	0	38	-1.0	-57.19	338.54	-3.02	-60.21
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O	REAL300031584765	0	40	-1.0	-56.89	352.59	-1.38	-58.27
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CN([O-])C(=O)C=C1	REAL300031585391	0	40	-1.0	-67.43	349.61	3.14	-64.29
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CC(=O)NC([O-])=C1	REAL300031585511	0	40	-1.0	-54.78	349.96	-1.80	-56.58
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300031585522	1	36	-1.0	-59.11	321.99	-1.95	-61.06
O=C([N-][C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C(F)(F)C(F)(F)F	REAL300031585616	0	35	-1.0	-50.68	325.99	1.30	-49.38
CCN1[N-]C(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=NSNC2=O)=CC1=O	REAL300031585698	0	43	-1.0	-58.52	371.37	1.68	-56.84
O=C(CC1=CC(=O)N[N-]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O	REAL300031585706	1	40	-1.0	-59.26	347.32	-0.32	-59.58
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CC=CC(=S)N1[O-]	REAL300031585724	0	40	-1.0	-80.06	357.92	5.13	-74.93
O=C(CC1SC(=O)[N-]C1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O	REAL300031585734	0	40	-1.0	-51.65	360.58	-1.79	-53.44
CN1N=C(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=NSNC2=O)[N-]C1=O	REAL300031585750	0	39	-1.0	-60.78	344.28	-0.76	-61.54
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=C[N-]N=CC1=O	REAL300031585841	0	38	-1.0	-52.71	330.95	1.16	-51.55
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300031585948	0	37	-1.0	-55.55	327.08	-0.94	-56.49
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O	REAL300031585953	0	42	-1.0	-55.86	359.83	0.37	-55.49
O=C(CCC1=NC(=O)[N-]N1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O	REAL300031585981	1	42	-1.0	-65.74	362.65	-1.31	-67.05
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CC=CN([O-])C1=O	REAL300031585985	0	40	-1.0	-75.80	347.12	3.32	-72.48
CC1=C([O-])N=C(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=NSNC2=O)S1	REAL300031586014	1	39	-1.0	-66.50	353.41	-0.83	-67.33
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031586028	1	39	-1.0	-52.11	356.94	2.31	-49.80
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CC(=O)N([O-])C=C1	REAL300031586047	0	40	-1.0	-68.48	349.81	3.09	-65.39
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CC=CC(=O)N1[O-]	REAL300031586082	0	40	-1.0	-77.87	346.80	4.08	-73.79
O=C(C[N-]C(=O)C(F)(F)F)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O	REAL300031586211	0	39	-1.0	-53.29	356.75	-1.06	-54.35
NC1=NC([O-])=C(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=NSNC2=O)S1	REAL300031586212	0	41	-1.0	-69.06	367.98	-1.91	-70.97
O=C(CC1=NC([O-])=CS1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O	REAL300031586260	0	39	-1.0	-68.59	353.23	-1.03	-69.62
CCC1=NC=C(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031586278	1	44	-1.0	-60.81	372.29	1.52	-59.29
O=C(CN1N=CC(=O)[N-]C1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O	REAL300031586287	0	41	-1.0	-59.99	362.67	-2.48	-62.47
CC1=CC(=O)C(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=NSNC2=O)=N[N-]1	REAL300031586506	0	41	-1.0	-58.43	355.70	2.84	-55.59
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=NNC(=O)[N-]1	REAL300031586521	0	36	-1.0	-58.18	321.45	-2.42	-60.60
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NSNC1=O)C1=CN=C(C=N[O-])S1	REAL300031586638	0	39	-1.0	-66.07	362.04	0.62	-65.45
COC1=NC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300031586653	0	42	-1.0	-57.60	367.50	-2.95	-60.55
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NC=CC=C1[O-])C1=NSNC1=O	REAL300031586910	1	39	-1.0	-61.61	338.58	2.65	-58.96
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NNC(=O)[N-]C1=O)C1=NSNC1=O	REAL300031587037	0	38	-1.0	-54.75	338.17	-3.10	-57.85
O=C(CN1C(=O)[N-]NC1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=NSNC1=O)C2	REAL300031587209	0	40	-1.0	-54.61	356.26	-1.60	-56.21
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(Cl)=CC=C1[O-])C1=NSNC1=O	REAL300031588630	1	40	-1.0	-57.83	360.57	3.82	-54.01
N#CC1=CC([O-])=CC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=NSNC2=O)C3)=C1	REAL300031588655	1	41	-1.0	-48.28	364.75	2.29	-45.99
CCC1=NC=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300031588743	1	44	-1.0	-52.14	375.65	0.83	-51.31
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=COC(=O)[N-]1)C1=NSNC1=O	REAL300031588762	1	36	-1.0	-50.66	321.92	-1.19	-51.85
O=C(C[N-]C(=O)C(F)(F)F)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=NSNC1=O)C2	REAL300031588832	0	39	-1.0	-49.30	360.61	-1.33	-50.63
NC1=NC([O-])=C(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=NSNC2=O)C3)S1	REAL300031588833	0	41	-1.0	-66.29	372.19	-2.17	-68.46
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=C(F)C=C([O-])C=C1F)C1=NSNC1=O	REAL300031588843	0	40	-1.0	-49.26	363.67	2.31	-46.95
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C([O-])C=C1F)C1=NSNC1=O	REAL300031588858	1	40	-1.0	-53.37	350.42	2.03	-51.34
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC([O-])=CC(=O)O1)C1=NSNC1=O	REAL300031588864	0	39	-1.0	-51.51	347.16	1.40	-50.11
N#CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=NSNC2=O)C3)C=C1[O-]	REAL300031588871	1	41	-1.0	-56.88	364.16	2.34	-54.54
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(Cl)=NC=C1[O-])C1=NSNC1=O	REAL300031588874	0	39	-1.0	-54.50	355.84	1.72	-52.78
O=C(CN1N=CC(=O)[N-]C1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=NSNC1=O)C2	REAL300031588892	0	41	-1.0	-58.29	366.63	-2.73	-61.02
CC1=CC=C([O-])C(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=NSNC2=O)C3)=N1	REAL300031588955	1	42	-1.0	-62.38	360.25	3.25	-59.13
O=C(CCC1=NNC(=O)[N-]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=NSNC1=O)C2	REAL300031588957	0	42	-1.0	-53.52	366.59	-0.94	-54.46
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=C[N-]N=CC1=O)C1=NSNC1=O	REAL300031588973	0	38	-1.0	-49.10	340.73	0.64	-48.46
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=CC(F)=C1[O-])C1=NSNC1=O	REAL300031588982	0	40	-1.0	-65.98	350.12	3.26	-62.72
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=CC([O-])=C1F)C1=NSNC1=O	REAL300031589078	1	40	-1.0	-63.76	350.38	2.03	-61.73
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)N[N-]1)C1=NSNC1=O	REAL300031589186	0	37	-1.0	-50.52	326.63	-0.99	-51.51
C[PH](C)([O-])C(=O)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=NSNC1=O)C2	REAL300031589192	0	42	-1.0	-50.35	360.16	0.12	-50.23
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)N([O-])C=C1)C1=NSNC1=O	REAL300031589288	0	40	-1.0	-64.05	357.81	2.75	-61.30
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NC(=O)N[N-]1)C1=NSNC1=O	REAL300031589313	0	36	-1.0	-50.40	321.77	-1.84	-52.24
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=C(O)C=CC=C1Cl)C1=NSNC1=O	REAL300031589316	0	40	-1.0	-55.95	366.64	2.70	-53.25
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=C([O-])C=CC=C1Cl)C1=NSNC1=O	REAL300031589316	1	40	-1.0	-55.95	366.64	2.70	-53.25
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=CN([O-])C1=O)C1=NSNC1=O	REAL300031589320	0	40	-1.0	-71.80	357.18	2.74	-69.06
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=C(F)C=CC(O)=C1F)C1=NSNC1=O	REAL300031589349	0	40	-1.0	-55.31	363.65	2.27	-53.04
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=C(F)C=CC([O-])=C1F)C1=NSNC1=O	REAL300031589349	1	40	-1.0	-55.31	363.65	2.27	-53.04
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(F)=CC=C1O)C1=NSNC1=O	REAL300031589493	0	40	-1.0	-57.27	350.25	3.37	-53.90
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(F)=CC=C1[O-])C1=NSNC1=O	REAL300031589493	1	40	-1.0	-57.27	350.25	3.37	-53.90
CC1=CC=NC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=NSNC2=O)C3)=C1O	REAL300031589558	0	42	-1.0	-61.19	358.98	3.37	-57.82
CC1=CC=NC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=NSNC2=O)C3)=C1[O-]	REAL300031589558	1	42	-1.0	-61.19	358.98	3.37	-57.82
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CN=CC(O)=C1)C1=NSNC1=O	REAL300031589673	0	39	-1.0	-51.68	338.94	0.10	-51.58
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CN=CC([O-])=C1)C1=NSNC1=O	REAL300031589673	1	39	-1.0	-51.68	338.94	0.10	-51.58
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=CC(=S)N1[O-])C1=NSNC1=O	REAL300031589683	0	40	-1.0	-75.80	368.23	3.23	-72.57
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C([O-])C(Cl)=N1)C1=NSNC1=O	REAL300031589795	0	39	-1.0	-47.46	357.12	1.50	-45.96
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(O)C=C1Cl)C1=NSNC1=O	REAL300031589837	0	40	-1.0	-52.03	359.05	2.50	-49.53
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C([O-])C=C1Cl)C1=NSNC1=O	REAL300031589837	1	40	-1.0	-52.03	359.05	2.50	-49.53
O=C(CC1=NC([O-])=CS1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=NSNC1=O)C2	REAL300031589848	0	39	-1.0	-67.20	357.38	-1.30	-68.50
O=C(CN1[N-]C(=O)C=CC1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=NSNC1=O)C2	REAL300031589865	0	42	-1.0	-55.72	372.39	-0.63	-56.35
O=C(CC1SC(=O)[N-]C1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=NSNC1=O)C2	REAL300031589972	0	40	-1.0	-48.76	364.70	-1.99	-50.75
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C([O-])C(F)=C1F)C1=NSNC1=O	REAL300031589997	0	40	-1.0	-55.71	356.51	2.12	-53.59
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=CC(Cl)=C1[O-])C1=NSNC1=O	REAL300031590004	0	40	-1.0	-60.66	359.92	3.74	-56.92
CC1=CC(=O)C(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300031590033	0	41	-1.0	-53.37	355.37	2.75	-50.62
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=CC(=O)N1[O-])C1=NSNC1=O	REAL300031590058	0	40	-1.0	-72.64	357.12	2.60	-70.04
N#CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300031590088	0	40	-1.0	-49.18	365.97	0.39	-48.79
CN1N=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300031590137	0	39	-1.0	-56.63	344.40	-0.83	-57.46
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=C(F)C=CC(O)=C1O)C1=NSNC1=O	REAL300031590190	0	41	-1.0	-58.84	368.18	0.41	-58.43
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=C(F)C=CC(O)=C1[O-])C1=NSNC1=O	REAL300031590190	1	41	-1.0	-58.84	368.18	0.41	-58.43
N#CC1=CC=C([O-])C(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=NSNC2=O)C3)=C1	REAL300031590199	0	41	-1.0	-53.76	364.83	3.59	-50.17
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CN([O-])C(=O)NC1=O)C1=NSNC1=O	REAL300031590293	0	40	-1.0	-52.51	358.53	0.01	-52.50
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(F)C(O)=C1)C1=NSNC1=O	REAL300031590346	0	40	-1.0	-61.19	350.22	1.96	-59.23
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(F)C([O-])=C1)C1=NSNC1=O	REAL300031590346	1	40	-1.0	-61.19	350.22	1.96	-59.23
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(Cl)C=C1O)C1=NSNC1=O	REAL300031590365	0	40	-1.0	-59.62	360.62	3.69	-55.93
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(Cl)C=C1[O-])C1=NSNC1=O	REAL300031590365	1	40	-1.0	-59.62	360.62	3.69	-55.93
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NC(=O)[N-]C(=O)N1)C1=NSNC1=O	REAL300031590435	0	38	-1.0	-52.94	339.75	-3.55	-56.49
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NC(=O)NC(=O)[N-]1)C1=NSNC1=O	REAL300031590435	1	38	-1.0	-46.73	340.56	-2.77	-49.50
NC1=NC=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300031590495	1	40	-1.0	-53.73	352.99	-0.83	-54.56
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(F)C([O-])=C1F)C1=NSNC1=O	REAL300031590530	0	40	-1.0	-63.86	356.47	2.10	-61.76
COC1=NC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=NSNC2=O)C3)=CC(=O)[N-]1	REAL300031590575	0	42	-1.0	-55.14	363.42	-2.66	-57.80
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NC=CC(Cl)=C1[O-])C1=NSNC1=O	REAL300031590585	0	39	-1.0	-57.64	354.84	3.19	-54.45
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=C(Cl)C([O-])=C1)C1=NSNC1=O	REAL300031590623	0	40	-1.0	-57.11	360.02	2.45	-54.66
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=NC=C1[O-])C1=NSNC1=O	REAL300031590632	0	39	-1.0	-60.13	339.10	1.27	-58.86
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1)C1=NSNC1=O	REAL300031590638	0	36	-1.0	-54.92	321.70	-0.87	-55.79
CC1=C([O-])N=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=NSNC2=O)C3)S1	REAL300031590661	1	39	-1.0	-57.30	353.73	-0.43	-57.73
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(=O)C1=CC=C([O-])C=C1)C1=NSNC1=O	REAL300031590755	1	42	-1.0	-52.49	364.63	2.22	-50.27
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CN=C(C=N[O-])S1)C1=NSNC1=O	REAL300031590776	0	39	-1.0	-64.11	360.14	-0.04	-64.15
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=NSNC1=O	REAL300031590800	1	39	-1.0	-47.06	356.82	2.48	-44.58
O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)NC([O-])=C1)C1=NSNC1=O	REAL300031590822	0	40	-1.0	-49.08	357.99	-2.15	-51.23
CCN1[N-]C(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031590883	0	43	-1.0	-53.72	371.54	1.65	-52.07
CN1[N-]C(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031590904	0	40	-1.0	-53.22	349.70	0.73	-52.49
O=C(CSC1=NNC(=O)[N-]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=NSNC1=O)C2	REAL300031590914	0	40	-1.0	-53.92	367.56	-1.33	-55.25
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=NNC(=O)[N-]C1=O	REAL300031592874	0	41	-1.0	-66.13	351.07	-3.10	-69.23
O=C(CN1C(=O)[N-]NC1=O)N[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2	REAL300031592918	0	43	-1.0	-69.57	365.19	-1.33	-70.90
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CN([O-])C(=O)C=C1	REAL300031593231	0	43	-1.0	-79.54	362.24	3.13	-76.41
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC(=O)NC([O-])=C1	REAL300031593299	0	43	-1.0	-57.92	362.79	-1.77	-59.69
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=COC(=O)[N-]1	REAL300031593310	1	39	-1.0	-56.04	335.29	-1.90	-57.94
CCN1[N-]C(C(=O)N[C@]23CCC[C@H]2CN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031593415	0	46	-1.0	-62.80	384.66	1.72	-61.08
O=C(CC1=CC(=O)N[N-]1)N[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2	REAL300031593421	1	43	-1.0	-72.60	360.39	-0.30	-72.90
CN1N=C(C(=O)N[C@]23CCC[C@H]2CN(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300031593441	0	42	-1.0	-66.07	356.97	-0.74	-66.81
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=C[N-]N=CC1=O	REAL300031593490	0	41	-1.0	-54.97	342.08	1.18	-53.79
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC(=O)N[N-]1	REAL300031593548	0	40	-1.0	-59.04	339.72	-0.94	-59.98
C[PH](C)([O-])C(=O)C(=O)N[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2	REAL300031593552	0	45	-1.0	-63.84	376.42	0.33	-63.51
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC=CN([O-])C1=O	REAL300031593575	0	43	-1.0	-63.93	360.42	3.30	-60.63
CC1SC(C(=O)N[C@]23CCC[C@H]2CN(C(=O)C2=NSNC2=O)C3)=NC1=O	REAL300031593595	0	42	-1.0	-61.14	366.66	-0.79	-61.93
CC1=C([O-])N=C(C(=O)N[C@]23CCC[C@H]2CN(C(=O)C2=NSNC2=O)C3)S1	REAL300031593595	1	42	-1.0	-61.14	366.66	-0.79	-61.93
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC(=O)N([O-])C=C1	REAL300031593607	0	43	-1.0	-79.31	362.61	3.12	-76.19
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC=CC(=O)N1[O-]	REAL300031593628	0	43	-1.0	-97.76	358.02	3.99	-93.77
O=C(CC1=NC([O-])=CS1)N[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2	REAL300031593724	0	42	-1.0	-79.33	364.16	-1.04	-80.37
CC1=CC(=O)C(C(=O)N[C@]23CCC[C@H]2CN(C(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300031593858	0	44	-1.0	-64.10	368.23	2.76	-61.34
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=NNC(=O)[N-]1	REAL300031593866	0	39	-1.0	-63.00	334.21	-2.41	-65.41
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=NC=CC=C1[O-])C2)C1=NSNC1=O	REAL300031594189	1	42	-1.0	-76.02	351.38	2.65	-73.37
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O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=COC(=O)[N-]1)C2)C1=NSNC1=O	REAL300031595256	1	39	-1.0	-52.08	332.86	-1.21	-53.29
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=CC=C([O-])C=C1F)C2)C1=NSNC1=O	REAL300031595325	1	43	-1.0	-62.49	363.08	1.97	-60.52
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=CC([O-])=CC(=O)O1)C2)C1=NSNC1=O	REAL300031595329	0	42	-1.0	-53.31	357.84	1.30	-52.01
N#CC1=CC=C(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C3=NSNC3=O)C2)C=C1[O-]	REAL300031595332	1	44	-1.0	-68.29	376.74	2.28	-66.01
CC1=CC=C([O-])C(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C3=NSNC3=O)C2)=N1	REAL300031595383	1	45	-1.0	-72.89	371.30	3.18	-69.71
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C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C2=NSNC2=O)C1	REAL300031595542	0	45	-1.0	-57.66	373.15	0.06	-57.60
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=NSNC1=O	REAL300031595592	0	43	-1.0	-75.28	370.63	2.68	-72.60
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=NNC(=O)[N-]1)C2)C1=NSNC1=O	REAL300031595609	0	39	-1.0	-61.40	334.77	-2.49	-63.89
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=CC=CN([O-])C1=O)C2)C1=NSNC1=O	REAL300031595614	0	43	-1.0	-68.95	363.72	2.49	-66.46
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=CC(F)=CC=C1O)C2)C1=NSNC1=O	REAL300031595720	0	43	-1.0	-62.43	361.45	3.22	-59.21
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=CC(F)=CC=C1[O-])C2)C1=NSNC1=O	REAL300031595720	1	43	-1.0	-62.43	361.45	3.22	-59.21
CC1=CC=NC(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C3=NSNC3=O)C2)=C1O	REAL300031595762	0	45	-1.0	-71.80	370.02	3.28	-68.52
CC1=CC=NC(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300031595762	1	45	-1.0	-71.80	370.02	3.28	-68.52
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=CN=CC(O)=C1)C2)C1=NSNC1=O	REAL300031595822	0	42	-1.0	-55.07	350.66	0.02	-55.05
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=CN=CC([O-])=C1)C2)C1=NSNC1=O	REAL300031595822	1	42	-1.0	-55.07	350.66	0.02	-55.05
O=C(CC1=NC([O-])=CS1)N1C[C@@H]2CCC[C@]2(NC(=O)C2=NSNC2=O)C1	REAL300031595915	0	42	-1.0	-76.43	367.66	-1.39	-77.82
CC1=CC(=O)C(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031596021	0	44	-1.0	-63.90	368.23	2.72	-61.18
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=CC=CC(=O)N1[O-])C2)C1=NSNC1=O	REAL300031596036	0	43	-1.0	-77.10	367.98	2.39	-74.71
CN1N=C(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031596082	0	42	-1.0	-61.78	355.28	-0.91	-62.69
N#CC1=CC=C(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300031596115	0	44	-1.0	-73.43	377.22	3.63	-69.80
N#CC1=CC=C([O-])C(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C3=NSNC3=O)C2)=C1	REAL300031596121	0	44	-1.0	-63.34	376.09	3.47	-59.87
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=CC=C(F)C([O-])=C1)C2)C1=NSNC1=O	REAL300031596211	1	43	-1.0	-72.82	362.81	1.87	-70.95
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2)C1=NSNC1=O	REAL300031596261	0	41	-1.0	-51.90	353.13	-2.74	-54.64
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2)C1=NSNC1=O	REAL300031596261	1	41	-1.0	-51.90	353.13	-2.74	-54.64
NC1=NC=C(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300031596297	0	43	-1.0	-63.00	366.23	-0.84	-63.84
NC1=NC=C(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031596297	1	43	-1.0	-63.00	366.23	-0.84	-63.84
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NSNC1=O	REAL300031596385	0	39	-1.0	-57.53	332.70	-0.97	-58.50
CC1SC(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C3=NSNC3=O)C2)=NC1=O	REAL300031596401	0	42	-1.0	-56.59	364.55	-0.43	-57.02
CC1=C([O-])N=C(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C3=NSNC3=O)C2)S1	REAL300031596401	1	42	-1.0	-56.59	364.55	-0.43	-57.02
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=CC(=O)NC([O-])=C1)C2)C1=NSNC1=O	REAL300031596500	0	43	-1.0	-52.29	368.70	-2.29	-54.58
CCN1[N-]C(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031596542	0	46	-1.0	-58.92	382.26	1.54	-57.38
CN1[N-]C(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031596558	0	43	-1.0	-58.08	360.53	0.61	-57.47
O=C(CC1=CC(=O)NN1)N1C[C@@H]2CCC[C@]2(NC(=O)C2=NSNC2=O)C1	REAL300031596639	0	43	-1.0	-66.81	361.81	-0.68	-67.49
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H]2CCC[C@]2(NC(=O)C2=NSNC2=O)C1	REAL300031596639	1	43	-1.0	-66.81	361.81	-0.68	-67.49
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=CC=C(O)C(F)=C1)C2)C1=NSNC1=O	REAL300031596643	0	43	-1.0	-63.62	362.77	1.92	-61.70
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=CC=C([O-])C(F)=C1)C2)C1=NSNC1=O	REAL300031596643	1	43	-1.0	-63.62	362.77	1.92	-61.70
CC1=CN=C(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C3=NSNC3=O)C2)C(O)=C1	REAL300031596705	0	45	-1.0	-77.54	372.83	3.29	-74.25
CC1=CN=C(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300031596705	1	45	-1.0	-77.54	372.83	3.29	-74.25
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=CC([O-])=CS1)C2)C1=NSNC1=O	REAL300031596718	0	40	-1.0	-68.42	347.39	0.73	-67.69
O=C(N[C@]12CCC[C@H]1CN(C(=O)C1=CN([O-])C(=O)C=C1)C2)C1=NSNC1=O	REAL300031596729	0	43	-1.0	-66.59	368.38	2.64	-63.95
CN1[N-]C(C(=O)N[C@]23CCC[C@H]2CN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031596817	0	43	-1.0	-61.81	362.85	0.79	-61.02
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O=C(N[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1C(F)(F)F)C1=NSNC1=O	REAL300031597347	1	35	-1.0	-53.55	334.72	-1.55	-55.10
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1C(F)(F)F)C1=NSNC1=O	REAL300031597429	0	36	-1.0	-50.82	339.59	-1.46	-52.28
O=C(N[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1C(F)(F)F)C1=NSNC1=O	REAL300031597500	0	35	-1.0	-52.64	334.29	-2.19	-54.83
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C(F)(F)F)C1=COC(=O)[N-]1	REAL300031597853	1	35	-1.0	-47.44	334.62	-2.41	-49.85
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C(F)(F)F)C1=CC(=O)N[N-]1	REAL300031597907	0	36	-1.0	-45.83	339.62	-1.39	-47.22
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C(F)(F)F)C1=NNC(=O)[N-]1	REAL300031597920	0	35	-1.0	-48.80	333.98	-2.85	-51.65
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C(F)(F)F)C1=CC(=O)[N-]O1	REAL300031598069	0	35	-1.0	-51.02	334.23	-0.92	-51.94
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F)C1=NSNC1=O	REAL300031598231	0	35	-1.0	-56.06	334.56	-1.30	-57.36
O=C(NC[C@]12CCC[C@H]1CN(C(=O)C1=COC(=O)[N-]1)C2)C1=NSNC1=O	REAL300031598934	1	42	-1.0	-51.78	358.38	-0.14	-51.92
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H]2CCC[C@]2(CNC(=O)C2=NSNC2=O)C1	REAL300031599012	1	46	-1.0	-59.98	387.48	0.38	-59.60
CN1N=C(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031599021	0	45	-1.0	-64.57	380.76	0.17	-64.40
O=C(NC[C@]12CCC[C@H]1CN(C(=O)C1=C[N-]N=CC1=O)C2)C1=NSNC1=O	REAL300031599053	0	44	-1.0	-52.07	377.31	1.56	-50.51
O=C(NC[C@]12CCC[C@H]1CN(C(=O)C1=CC(=O)N[N-]1)C2)C1=NSNC1=O	REAL300031599087	0	43	-1.0	-57.85	361.18	0.07	-57.78
O=C(NC[C@]12CCC[C@H]1CN(C(=O)C1=NC(=O)N[N-]1)C2)C1=NSNC1=O	REAL300031599258	0	42	-1.0	-56.70	358.01	-0.75	-57.45
O=C(NC[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=NC=CC=C1[O-]	REAL300031599552	1	45	-1.0	-65.68	374.37	3.82	-61.86
O=C(NC[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=COC(=O)[N-]1	REAL300031600027	1	42	-1.0	-58.45	358.48	-0.97	-59.42
O=C(NC[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=C[N-]N=CC1=O	REAL300031600098	0	44	-1.0	-55.04	367.62	2.20	-52.84
O=C(NC[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC(=O)N[N-]1	REAL300031600157	0	43	-1.0	-60.33	361.45	0.14	-60.19
O=C(NC[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=NC(=O)N[N-]1	REAL300031600191	0	42	-1.0	-60.14	355.87	-1.18	-61.32
O=C(NC[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CN=CC([O-])=C1	REAL300031600299	1	45	-1.0	-60.58	375.26	1.75	-58.83
CN1N=C(C(=O)NC[C@]23CCC[C@H]2CN(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300031600407	0	45	-1.0	-66.45	378.53	0.33	-66.12
O=C(NC[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC=NC=C1[O-]	REAL300031600537	1	45	-1.0	-64.14	373.42	3.37	-60.77
O=C(NC[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC(=O)[N-]O1	REAL300031600540	0	42	-1.0	-60.67	358.24	0.49	-60.18
CN1[N-]C(C(=O)NC[C@]23CCC[C@H]2CN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031600627	0	46	-1.0	-58.30	386.09	1.73	-56.57
O=C(CC1=CC(=O)N[N-]1)NC[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2	REAL300031600673	1	46	-1.0	-67.74	383.91	0.67	-67.07
O=C(NC[C@]12CCC[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC([O-])=CS1	REAL300031600717	0	43	-1.0	-68.92	370.51	2.57	-66.35
CN1[N-]C(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031600776	0	46	-1.0	-60.65	383.91	1.77	-58.88
O=C(NC[C@]12CCC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NSNC1=O	REAL300031600885	0	42	-1.0	-56.41	358.22	0.10	-56.31
O=C(CCCN1C(=O)[N-]NC1=O)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031602262	0	42	-1.0	-56.33	360.99	-0.33	-56.66
CC(C)CN1[N-]C(CC(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031602458	0	48	-1.0	-61.73	397.92	3.74	-57.99
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031602552	0	40	-1.0	-56.59	348.65	-3.07	-59.66
CC(=O)[N-]C1=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)=CS1	REAL300031602553	1	38	-1.0	-43.38	340.02	0.93	-42.45
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031602767	1	41	-1.0	-60.89	354.43	1.08	-59.81
COC1=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)NC(=O)[N-]C1=O	REAL300031602912	1	39	-1.0	-50.98	343.85	-3.38	-54.36
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1	REAL300031603063	0	34	-1.0	-55.14	301.43	-3.06	-58.20
O=C(CN1C(=O)[N-]NC1=O)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031603204	0	36	-1.0	-57.50	318.45	-1.59	-59.09
CC1=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]C(C(C)C)=N1	REAL300031603247	1	46	-1.0	-57.26	385.04	1.85	-55.41
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031603384	0	40	-1.0	-58.22	352.02	1.31	-56.91
CC1=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)NC(C2CC2)=N1	REAL300031605016	0	44	-1.0	-57.71	374.04	2.32	-55.39
CC1=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]C(C2CC2)=N1	REAL300031605016	1	44	-1.0	-57.71	374.04	2.32	-55.39
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300031605032	0	34	-1.0	-45.76	294.88	0.43	-45.33
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)CC1	REAL300031605077	0	38	-1.0	-66.15	329.75	0.95	-65.20
O=C(C1=CC(=O)N[N-]1)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031605204	0	33	-1.0	-50.37	289.37	-0.92	-51.29
C[PH](C)([O-])C(=O)C(=O)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031605209	0	38	-1.0	-50.70	322.99	-0.05	-50.75
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1	REAL300031605263	0	36	-1.0	-63.18	314.79	2.54	-60.64
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)N1	REAL300031605289	0	38	-1.0	-56.03	345.69	0.44	-55.59
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031605289	1	38	-1.0	-56.03	345.69	0.44	-55.59
CC1SC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)=NC1=O	REAL300031605317	0	35	-1.0	-50.27	316.33	-0.09	-50.36
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)S1	REAL300031605317	1	35	-1.0	-50.27	316.33	-0.09	-50.36
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(=O)C=C(Cl)N2)CC1	REAL300031605341	0	35	-1.0	-47.74	322.16	2.43	-45.31
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1	REAL300031605341	1	35	-1.0	-47.74	322.16	2.43	-45.31
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1	REAL300031605369	0	36	-1.0	-65.40	316.13	2.59	-62.81
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1	REAL300031605444	0	36	-1.0	-61.35	312.78	2.89	-58.46
O=C(C[N-]C(=O)C(F)(F)F)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031605662	0	35	-1.0	-49.13	322.91	-1.31	-50.44
NC1=NC([O-])=C(CC(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)S1	REAL300031605663	0	37	-1.0	-67.02	334.13	-2.08	-69.10
O=C(CC1=NC([O-])=CS1)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031605742	0	35	-1.0	-68.96	319.32	-1.21	-70.17
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)N1	REAL300031605774	0	40	-1.0	-50.14	339.84	0.82	-49.32
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031605774	1	40	-1.0	-50.14	339.84	0.82	-49.32
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)CC1	REAL300031605888	0	32	-1.0	-51.13	306.23	-0.26	-51.39
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031606028	1	41	-1.0	-50.94	352.77	-0.94	-51.88
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)CC1	REAL300031606043	1	44	-1.0	-50.55	371.45	2.41	-48.14
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300031606151	0	37	-1.0	-52.12	318.83	2.81	-49.31
O=C(C1=NC(=O)N[N-]1)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031606174	0	32	-1.0	-45.59	284.31	-1.50	-47.09
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CC1	REAL300031606205	1	37	-1.0	-49.28	334.65	1.72	-47.56
CC1=NC2=NC=C(C(=O)N3CCN(C(=O)C4=NSNC4=O)CC3)C(=O)N2[N-]1	REAL300031606241	0	40	-1.0	-54.00	351.59	3.67	-50.33
O=C(C1=CN=C(C=N[O-])S1)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031606368	0	35	-1.0	-63.51	324.51	-0.00	-63.51
COC1=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)=CC(=O)[N-]1	REAL300031606389	0	38	-1.0	-54.53	328.31	-2.38	-56.91
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300031606643	1	35	-1.0	-63.40	301.77	2.75	-60.65
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031606774	1	41	-1.0	-60.89	354.43	1.08	-59.81
CC(=O)[N-]C1=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)=CS1	REAL300031606792	1	38	-1.0	-43.38	340.02	0.93	-42.45
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1	REAL300031606833	0	34	-1.0	-55.14	301.43	-3.06	-58.20
COC1=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)NC(=O)[N-]C1=O	REAL300031606903	1	39	-1.0	-50.98	343.85	-3.38	-54.36
O=C(CN1C(=O)[N-]NC1=O)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031607114	0	36	-1.0	-57.50	318.45	-1.59	-59.09
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031607184	0	40	-1.0	-58.22	352.02	1.31	-56.91
O=C(CCCN1C(=O)[N-]NC1=O)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031608380	0	42	-1.0	-56.33	360.99	-0.33	-56.66
CC(C)CN1[N-]C(CC(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031608591	0	48	-1.0	-61.73	397.92	3.74	-57.99
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300031608651	1	41	-1.0	-56.66	355.22	1.59	-55.07
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031608904	0	41	-1.0	-40.58	349.27	0.98	-39.60
CC1=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]C(C(C)C)=N1	REAL300031609459	1	46	-1.0	-57.26	385.04	1.85	-55.41
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031609806	0	40	-1.0	-56.59	348.65	-3.07	-59.66
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)CC1	REAL300031609816	0	38	-1.0	-56.53	332.79	3.79	-52.74
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC1	REAL300031609835	1	36	-1.0	-58.10	325.58	3.41	-54.69
N#CC1=CC([O-])=CC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)=C1	REAL300031609876	1	37	-1.0	-49.81	327.69	2.33	-47.48
NC1=CC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)C([O-])=C1Cl	REAL300031609913	0	38	-1.0	-64.04	336.73	1.53	-62.51
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)CC1	REAL300031613007	0	38	-1.0	-66.15	329.75	0.95	-65.20
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300031613056	1	41	-1.0	-65.16	346.97	5.02	-60.14
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)CC1	REAL300031613057	0	32	-1.0	-51.13	306.23	-0.26	-51.39
NC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031613086	1	36	-1.0	-50.78	313.11	-0.81	-51.59
CC1=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)[N-]C(=O)C(C#N)=C1	REAL300031613129	0	39	-1.0	-50.77	348.45	0.90	-49.87
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)CC1	REAL300031613158	0	36	-1.0	-64.04	320.90	2.15	-61.89
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300031613231	0	36	-1.0	-49.75	330.87	2.64	-47.11
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CC1	REAL300031613240	1	37	-1.0	-49.28	334.65	1.72	-47.56
COC1=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)=CC(=O)[N-]1	REAL300031613247	0	38	-1.0	-54.53	328.31	-2.38	-56.91
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C3N[N-]N=C3C2=O)CC1	REAL300031613250	0	38	-1.0	-48.16	329.51	0.67	-47.49
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])CC1	REAL300031613263	0	35	-1.0	-59.73	317.97	3.25	-56.48
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031613270	1	39	-1.0	-62.00	350.46	3.61	-58.39
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)CC1	REAL300031613322	0	36	-1.0	-56.54	326.20	2.57	-53.97
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=NC=C2[O-])CC1	REAL300031613334	0	35	-1.0	-59.09	304.68	0.47	-58.62
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031613344	0	32	-1.0	-52.00	284.33	-0.93	-52.93
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)S1	REAL300031613395	1	35	-1.0	-50.27	316.33	-0.09	-50.36
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)CC1	REAL300031613457	1	42	-1.0	-63.43	359.01	4.46	-58.97
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)CC1	REAL300031613476	1	42	-1.0	-65.10	354.48	5.29	-59.81
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])CC1	REAL300031613485	1	42	-1.0	-67.66	355.61	5.20	-62.46
O=C(C(=O)N1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=C([O-])C=C1	REAL300031613545	1	38	-1.0	-53.54	336.04	2.05	-51.49
O=C(C1=CN=C(C=N[O-])S1)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031613585	0	35	-1.0	-63.51	324.51	-0.00	-63.51
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1	REAL300031613623	1	35	-1.0	-47.74	322.16	2.43	-45.31
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031613654	1	38	-1.0	-56.03	345.69	0.44	-55.59
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1	REAL300031613664	0	36	-1.0	-46.70	314.10	-2.52	-49.22
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031613763	0	39	-1.0	-52.24	334.08	1.75	-50.49
O=C(CNC(=O)C1=NC=CC=C1[O-])N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031613775	1	42	-1.0	-64.19	363.81	0.76	-63.43
CN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031613789	0	36	-1.0	-51.36	312.42	0.82	-50.54
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)CC1	REAL300031613803	1	39	-1.0	-66.50	336.89	0.39	-66.11
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031613808	0	36	-1.0	-55.28	329.73	-1.25	-56.53
CC1=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)C(=S)[N-]C(=O)N1	REAL300031613810	1	38	-1.0	-63.74	341.13	0.20	-63.54
CC1=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]C(C2CC2)=N1	REAL300031613821	1	44	-1.0	-57.71	374.04	2.32	-55.39
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)CC1	REAL300031613888	1	41	-1.0	-55.85	353.58	2.56	-53.29
O=C(CN1[N-]C(=O)C=CC1=O)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031615108	0	38	-1.0	-56.17	334.58	-0.59	-56.76
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031615123	0	32	-1.0	-52.00	284.33	-0.93	-52.93
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1	REAL300031615145	0	36	-1.0	-52.48	324.71	0.13	-52.35
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CC1	REAL300031615185	1	37	-1.0	-40.46	327.64	0.52	-39.94
O=C(NC1(CNC(=O)C2=NNC(=O)[N-]C2=O)CCCCC1)C1=NSNC1=O	REAL300031615965	0	43	-1.0	-60.34	363.83	-3.27	-63.61
O=C(CN1C(=O)[N-]NC1=O)NCC1(NC(=O)C2=NSNC2=O)CCCCC1	REAL300031616014	0	45	-1.0	-62.00	377.81	-1.61	-63.61
O=C(NC1(CNC(=O)C2=CN([O-])C(=O)C=C2)CCCCC1)C1=NSNC1=O	REAL300031616360	0	45	-1.0	-71.63	374.97	2.90	-68.73
O=C(NC1(CNC(=O)C2=CC(=O)NC([O-])=C2)CCCCC1)C1=NSNC1=O	REAL300031616435	0	45	-1.0	-51.51	375.37	-2.04	-53.55
O=C(NCC1(NC(=O)C2=NSNC2=O)CCCCC1)C1=COC(=O)[N-]1	REAL300031616446	1	41	-1.0	-51.43	347.57	-2.18	-53.61
CCN1[N-]C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCCC2)=CC1=O	REAL300031616551	0	48	-1.0	-58.22	396.81	1.43	-56.79
O=C(CC1=CC(=O)N[N-]1)NCC1(NC(=O)C2=NSNC2=O)CCCCC1	REAL300031616558	1	45	-1.0	-65.78	373.00	-0.55	-66.33
CN1N=C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCCC2)[N-]C1=O	REAL300031616577	0	44	-1.0	-61.04	369.59	-1.00	-62.04
O=C(NC1(CNC(=O)C2=C[N-]N=CC2=O)CCCCC1)C1=NSNC1=O	REAL300031616629	0	43	-1.0	-46.50	356.74	1.01	-45.49
O=C(NCC1(NC(=O)C2=NSNC2=O)CCCCC1)C1=CC(=O)N[N-]1	REAL300031616687	0	42	-1.0	-53.68	352.34	-1.17	-54.85
C[PH](C)([O-])C(=O)C(=O)NCC1(NC(=O)C2=NSNC2=O)CCCCC1	REAL300031616692	0	47	-1.0	-55.69	390.80	0.13	-55.56
O=C(CCC1=NC(=O)NN1)NCC1(NC(=O)C2=NSNC2=O)CCCCC1	REAL300031616710	0	47	-1.0	-61.85	388.07	-1.53	-63.38
O=C(CCC1=NC(=O)[N-]N1)NCC1(NC(=O)C2=NSNC2=O)CCCCC1	REAL300031616710	1	47	-1.0	-61.85	388.07	-1.53	-63.38
O=C(NC1(CNC(=O)C2=CC=CN([O-])C2=O)CCCCC1)C1=NSNC1=O	REAL300031616712	0	45	-1.0	-59.81	372.66	3.10	-56.71
CC1SC(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCCC2)=NC1=O	REAL300031616731	0	44	-1.0	-55.41	378.81	-1.08	-56.49
CC1=C([O-])N=C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCCC2)S1	REAL300031616731	1	44	-1.0	-55.41	378.81	-1.08	-56.49
O=C(NC1(CNC(=O)C2=CC(=O)N([O-])C=C2)CCCCC1)C1=NSNC1=O	REAL300031616746	0	45	-1.0	-71.72	375.28	2.87	-68.85
O=C(NC1(CNC(=O)C2=CC=CC(=O)N2[O-])CCCCC1)C1=NSNC1=O	REAL300031616768	0	45	-1.0	-57.35	370.76	2.88	-54.47
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CC1=CC(=O)C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCCC2)=N[N-]1	REAL300031617009	0	46	-1.0	-59.82	380.98	2.59	-57.23
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CCN1[N-]C(C(=O)NC2CC3(C2)CC(NC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031622170	0	46	-1.0	-53.89	400.79	0.98	-52.91
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C[PH](C)([O-])C(=O)C(=O)NC1CC2(C1)CC(NC(=O)C1=NSNC1=O)C2	REAL300031622327	0	45	-1.0	-54.27	394.73	-0.33	-54.60
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CC1SC(C(=O)NC2CC3(C2)CC(NC(=O)C2=NSNC2=O)C3)=NC1=O	REAL300031622372	0	42	-1.0	-56.88	382.79	-1.53	-58.41
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C[PH](C)([O-])C(=O)C(=O)NC1CC2(C1)CC(NC(=O)C1=NSNC1=O)C2	REAL300031624386	0	45	-1.0	-54.27	394.73	-0.33	-54.60
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CC1=CC=NC(C(=O)NC2CC3(CC(NC(=O)C4=NSNC4=O)C3)C2)=C1O	REAL300031624606	0	45	-1.0	-66.53	388.63	2.46	-64.07
CC1=CC=NC(C(=O)NC2CC3(CC(NC(=O)C4=NSNC4=O)C3)C2)=C1[O-]	REAL300031624606	1	45	-1.0	-66.53	388.63	2.46	-64.07
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O=C(CN1N=CC(=O)[N-]C1=O)N1CC[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031666124	0	37	-1.0	-60.16	341.52	-4.17	-64.33
O=C(N[C@@H]1CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=NSNC1=O	REAL300031666224	0	32	-1.0	-57.34	318.29	-1.73	-59.07
COCC1=NC=C(C(=O)N2CC[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300031666364	0	41	-1.0	-64.35	371.07	-2.24	-66.59
COCC1=NC=C(C(=O)N2CC[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031666364	1	41	-1.0	-64.35	371.07	-2.24	-66.59
O=C(N[C@@H]1CCN(C(=O)C2=CN=C(CC3CC3)NC2=O)C1)C1=NSNC1=O	REAL300031666379	0	44	-1.0	-63.89	389.07	1.11	-62.78
O=C(N[C@@H]1CCN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300031666379	1	44	-1.0	-63.89	389.07	1.11	-62.78
CC1=CC(=O)C(C(=O)N2CC[C@@H](NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031666487	0	37	-1.0	-61.77	331.83	1.34	-60.43
O=C(N[C@@H]1CCN(C(=O)C2=NC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300031666510	0	32	-1.0	-55.01	298.16	-3.30	-58.31
O=C(N[C@@H]1CCN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C1)C1=NSNC1=O	REAL300031666541	0	37	-1.0	-56.28	337.62	-0.06	-56.34
O=C(N[C@@H]1CCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=NSNC1=O	REAL300031666541	1	37	-1.0	-56.28	337.62	-0.06	-56.34
O=C(N[C@@H]1CCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=NSNC1=O	REAL300031666704	0	35	-1.0	-70.71	336.20	-1.33	-72.04
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=NC=CC=C1[O-]	REAL300031666979	1	35	-1.0	-71.39	315.45	1.02	-70.37
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031667110	1	41	-1.0	-65.02	364.14	-0.11	-65.13
CC(=O)[N-]C1=NC(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)=CS1	REAL300031667128	1	38	-1.0	-53.11	352.79	-0.76	-53.87
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300031667169	0	34	-1.0	-62.00	314.07	-4.38	-66.38
COC1=C(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031667239	1	39	-1.0	-61.75	347.76	-3.10	-64.85
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031667450	0	36	-1.0	-64.07	328.25	-2.73	-66.80
O=C(CN1[N-]C=C2C1=NC=NC2=O)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031667520	0	40	-1.0	-67.25	361.85	0.16	-67.09
O=C(CCCN1C(=O)[N-]NC1=O)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031668716	0	42	-1.0	-65.83	371.44	-1.60	-67.43
CC(C)CN1[N-]C(CC(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031668927	0	48	-1.0	-72.14	408.34	2.48	-69.66
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300031668987	1	41	-1.0	-54.34	359.52	0.68	-53.66
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031669240	0	41	-1.0	-47.60	364.78	-0.88	-48.48
CC1=C(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C(C)C)=N1	REAL300031669795	1	46	-1.0	-55.29	384.87	1.22	-54.07
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=CC([O-])=C1	REAL300031671967	1	35	-1.0	-64.88	314.63	-0.60	-65.48
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=S)N1[O-]	REAL300031671983	0	36	-1.0	-98.41	334.55	3.69	-94.72
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C2CCC2)[N-]C1=O	REAL300031672158	1	44	-1.0	-54.19	375.27	1.24	-52.95
NC1=CC(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)=CC([O-])=C1Cl	REAL300031672177	1	38	-1.0	-57.86	348.20	-0.30	-58.16
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(Cl)=N1	REAL300031672182	0	35	-1.0	-53.48	333.76	-0.14	-53.62
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031672260	0	40	-1.0	-61.91	356.63	1.13	-60.78
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C=C1Cl	REAL300031672267	1	36	-1.0	-61.09	332.09	1.73	-59.36
N#CC1=CC(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)=C([O-])C=C1N	REAL300031672270	0	39	-1.0	-67.86	351.89	1.00	-66.86
O=C(CC1=NC([O-])=CS1)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031672285	0	35	-1.0	-76.70	329.10	-2.41	-79.11
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C=CC=C1F	REAL300031672313	1	36	-1.0	-63.19	330.09	1.05	-62.14
O=C(CN1[N-]C(=O)C=CC1=O)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031672317	0	38	-1.0	-66.09	344.41	-1.75	-67.84
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(F)C=C1[O-]	REAL300031672322	0	36	-1.0	-71.13	323.84	2.87	-68.26
CC1=CC=C(F)C([O-])=C1C(=O)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031672382	0	39	-1.0	-64.08	348.68	1.73	-62.35
O=C(CC1SC(=O)[N-]C1=O)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031672497	0	36	-1.0	-56.57	336.37	-3.17	-59.74
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(F)=C1F	REAL300031672531	0	36	-1.0	-66.35	330.95	1.26	-65.09
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300031672535	1	37	-1.0	-46.86	339.96	-0.10	-46.96
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(Cl)=C1[O-]	REAL300031672542	0	36	-1.0	-71.26	333.47	3.33	-67.93
CC1=CC(=O)C(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031672586	0	37	-1.0	-61.37	332.12	1.36	-60.01
O=C(C=C([O-])C1=CC=C(O)C=C1)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031672591	0	41	-1.0	-72.90	361.02	1.32	-71.58
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300031672630	0	36	-1.0	-93.98	323.44	2.64	-91.34
N#CC1=CC=C(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031672680	0	36	-1.0	-48.63	333.44	-0.40	-49.03
O=C(COC1=NC(=O)[N-]C(=O)N1)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031672681	0	38	-1.0	-64.39	350.19	-6.26	-70.65
O=C(COC1=NC(=O)NC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031672681	1	38	-1.0	-58.81	350.13	-6.21	-65.02
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300031672713	0	38	-1.0	-55.62	346.30	2.52	-53.10
CN1N=C(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031672763	0	35	-1.0	-64.44	320.69	-2.23	-66.67
[N-]=[N+]=NC1=CC(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)=CC=C1[O-]	REAL300031672810	0	38	-1.0	-59.70	347.33	-0.94	-60.64
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=C(F)C=CC(O)=C1O	REAL300031672857	0	37	-1.0	-63.64	340.69	-0.85	-64.49
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=C(F)C=CC(O)=C1[O-]	REAL300031672857	1	37	-1.0	-63.64	340.69	-0.85	-64.49
N#CC1=CC=C([O-])C(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)=C1	REAL300031672872	0	37	-1.0	-64.14	338.27	3.22	-60.92
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300031673959	1	35	-1.0	-53.46	332.66	0.99	-52.47
CSC1=NC=C(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031673990	1	38	-1.0	-53.87	349.82	-0.39	-54.26
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)NC([O-])=C1	REAL300031674000	0	36	-1.0	-56.25	325.71	-3.17	-59.42
CCN1[N-]C(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031674099	0	39	-1.0	-60.12	347.06	0.32	-59.80
O=C(CNC(=O)C1=NC=CC=C1[O-])N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031674111	1	42	-1.0	-71.04	374.26	-0.46	-71.50
CN1[N-]C(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031674125	0	36	-1.0	-60.21	326.10	-0.72	-60.93
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300031674139	1	39	-1.0	-81.13	348.88	-0.30	-81.43
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031674144	0	36	-1.0	-63.23	340.27	-2.58	-65.81
CC1=C(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300031674146	1	38	-1.0	-78.58	353.00	-1.21	-79.79
CC1=C(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C2CC2)=N1	REAL300031674157	1	44	-1.0	-54.87	376.31	1.36	-53.51
O=C(CC1=CC(=O)N[N-]1)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031674352	1	36	-1.0	-69.19	323.96	-1.77	-70.96
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(F)=C1	REAL300031674359	1	36	-1.0	-61.93	325.79	1.28	-60.65
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(F)=C([O-])C(F)=C1	REAL300031674433	0	36	-1.0	-62.60	331.89	1.39	-61.21
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=NC(Cl)=C1[O-]	REAL300031674439	0	35	-1.0	-71.15	329.64	1.35	-69.80
CC1=C(CC(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300031674464	0	42	-1.0	-71.88	366.75	0.63	-71.25
O=C(CCC(=O)C1=CC=C([O-])C=C1)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031674476	1	44	-1.0	-65.10	386.47	2.44	-62.66
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC([O-])=CS1	REAL300031674565	0	33	-1.0	-66.98	311.73	0.15	-66.83
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)C=C1	REAL300031674593	0	36	-1.0	-75.60	325.15	1.76	-73.84
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(F)=CC(Cl)=C1[O-]	REAL300031674601	0	36	-1.0	-65.58	340.62	3.30	-62.28
CN1[N-]C(C(=O)N2CC[C@@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031674884	0	36	-1.0	-60.48	326.34	-0.79	-61.27
O=C(N[C@@H]1CCN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1)C1=NSNC1=O	REAL300031674894	1	39	-1.0	-74.37	351.36	-1.06	-75.43
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031674898	0	36	-1.0	-59.73	342.78	-2.74	-62.47
CC1=C(C(=O)N2CC[C@@H](NC(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300031674899	1	38	-1.0	-75.57	349.99	-1.55	-77.12
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300031676048	1	44	-1.0	-66.91	379.27	2.13	-64.78
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CCCN2C(=O)[N-]NC2=O)C1	REAL300031676687	0	45	-1.0	-62.43	385.14	0.21	-62.22
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CCC2=NNC(=O)[N-]C2=O)C1	REAL300031676903	0	43	-1.0	-60.32	372.61	-2.52	-62.84
CC(=O)[N-]C1=NC(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)C2)=CS1	REAL300031676904	1	41	-1.0	-51.06	363.37	1.35	-49.71
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1	REAL300031677062	1	44	-1.0	-63.20	378.58	1.62	-61.58
COC1=C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031677171	1	42	-1.0	-59.41	356.63	-1.23	-60.64
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300031677285	0	37	-1.0	-61.01	324.73	-2.51	-63.52
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300031677402	0	39	-1.0	-62.40	342.38	-1.01	-63.41
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300031678981	0	36	-1.0	-54.92	313.83	-0.48	-55.40
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300031678986	0	41	-1.0	-51.76	346.72	0.92	-50.84
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=CC(=O)N(C)[N-]2)C1	REAL300031678989	0	42	-1.0	-67.40	360.14	1.79	-65.61
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300031679027	1	41	-1.0	-64.95	352.64	-0.90	-65.85
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300031679035	0	39	-1.0	-83.47	343.41	3.32	-80.15
CSC1=NC=C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031679055	1	41	-1.0	-66.91	369.50	1.05	-65.86
CC1=C([O-])N=C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)C2)S1	REAL300031679080	1	38	-1.0	-59.84	340.38	0.14	-59.70
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300031679101	1	38	-1.0	-52.31	343.09	3.07	-49.24
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300031679123	0	39	-1.0	-70.00	343.98	3.35	-66.65
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300031679183	0	39	-1.0	-84.02	343.17	3.13	-80.89
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300031679353	0	38	-1.0	-55.15	346.84	-0.72	-55.87
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300031679354	0	40	-1.0	-72.40	358.05	-1.54	-73.94
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300031679414	0	38	-1.0	-74.61	343.23	-0.66	-75.27
CCC1=NC=C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031679439	1	43	-1.0	-65.73	368.19	1.54	-64.19
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300031679451	0	40	-1.0	-65.13	352.73	-2.12	-67.25
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1	REAL300031679528	0	35	-1.0	-57.27	328.65	0.41	-56.86
COCC1=NC=C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300031679635	0	44	-1.0	-65.66	381.12	-0.21	-65.87
COCC1=NC=C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031679635	1	44	-1.0	-65.66	381.12	-0.21	-65.87
CC1=CC(=O)C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031679736	0	40	-1.0	-59.66	341.92	3.35	-56.31
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NNC(=O)[N-]2)C1	REAL300031679755	0	35	-1.0	-58.75	308.13	-1.93	-60.68
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C1	REAL300031679780	0	40	-1.0	-52.73	357.84	2.30	-50.43
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1	REAL300031679780	1	40	-1.0	-52.73	357.84	2.30	-50.43
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300031679918	0	38	-1.0	-69.13	346.30	0.68	-68.45
CN(C(=O)C1=NC=CC=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031680197	1	38	-1.0	-68.30	325.21	3.33	-64.97
CN(C(=O)CCN1C=C[N-]C(=O)C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031680317	1	44	-1.0	-63.31	377.47	1.49	-61.82
CC(=O)[N-]C1=NC(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)=CS1	REAL300031680329	1	41	-1.0	-50.32	363.36	1.44	-48.88
CN(C(=O)C1=NNC(=O)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031680361	0	37	-1.0	-60.69	324.85	-2.55	-63.24
COC1=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031680415	1	42	-1.0	-58.10	367.18	-2.95	-61.05
CN(C(=O)CN1C(=O)[N-]NC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031680584	0	39	-1.0	-62.80	341.79	-1.16	-63.96
CN(C(=O)CCCN1C(=O)[N-]NC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031681574	0	45	-1.0	-62.36	384.04	0.09	-62.27
CN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031681781	1	44	-1.0	-60.32	378.89	1.96	-58.36
CN(C(=O)CCC1=NNC(=O)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031682634	0	43	-1.0	-59.24	370.79	-2.58	-61.82
CN(C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031682644	0	41	-1.0	-57.38	356.95	4.28	-53.10
CN(C(=O)C1=CC(Cl)=CC=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031682658	1	39	-1.0	-61.19	347.69	3.40	-57.79
CN(C(=O)C1=CC([O-])=CC(C#N)=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031682689	1	40	-1.0	-60.17	351.86	2.83	-57.34
CN(C(=O)C1=CC=C(N)C(Cl)=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031682716	0	41	-1.0	-72.65	359.89	1.69	-70.96
CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031682778	0	41	-1.0	-77.85	357.16	4.99	-72.86
CCC1=NC=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031682809	1	43	-1.0	-59.22	367.80	1.36	-57.86
CN(C(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031682833	1	35	-1.0	-53.36	308.31	-0.37	-53.73
CN(C(=O)C1=CC=CC([O-])=C1[N+](=O)[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031682911	0	41	-1.0	-76.39	359.54	3.56	-72.83
CN(C(=O)C[N-]C(=O)C(F)(F)F)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031682929	0	38	-1.0	-53.81	345.02	-0.80	-54.61
CN(C(=O)CC1=C([O-])N=C(N)S1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031682930	0	40	-1.0	-77.02	357.24	-1.66	-78.68
CN(C(=O)C1=C(F)C=C([O-])C=C1F)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031682941	0	39	-1.0	-54.12	349.49	2.75	-51.37
CN(C(=O)C1=CN=CC([O-])=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684083	1	38	-1.0	-54.73	325.84	0.64	-54.09
CN(C(=O)C1=CC=CC(=S)N1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684096	0	39	-1.0	-88.32	353.97	3.59	-84.73
CN(C(=O)C1=CC(N)=C(Cl)C([O-])=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684252	1	41	-1.0	-67.69	359.70	0.95	-66.74
CN(C(=O)C1=CC=C([O-])C(Cl)=N1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684257	0	38	-1.0	-51.33	343.59	2.18	-49.15
CN(C(=O)C1=CC=C([O-])C=C1Cl)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684319	1	39	-1.0	-57.05	346.76	2.96	-54.09
CN(C(=O)C1=CC(C#N)=C(N)C=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684322	0	42	-1.0	-64.90	365.11	1.49	-63.41
CN(C(=O)CC1=NC([O-])=CS1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684334	0	38	-1.0	-77.82	342.36	-0.78	-78.60
CN(C(=O)C1=C([O-])C=CC=C1F)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684356	0	39	-1.0	-65.27	343.00	2.71	-62.56
CN(C(=O)CN1[N-]C(=O)C=CC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684359	0	41	-1.0	-63.36	357.64	-0.17	-63.53
CN(C(=O)C1=CC=C(F)C=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684361	0	39	-1.0	-64.21	337.84	3.26	-60.95
CC1=CC=C(F)C([O-])=C1C(=O)N(C)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684409	0	42	-1.0	-72.10	362.24	3.30	-68.80
CN(C(=O)CC1SC(=O)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684498	0	39	-1.0	-54.13	349.86	-1.58	-55.71
CN(C(=O)C1=CC=C([O-])C(F)=C1F)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684531	0	39	-1.0	-63.41	344.06	2.62	-60.79
CN(C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684534	1	40	-1.0	-50.70	354.85	1.08	-49.62
CN(C(=O)C1=CC=CC(Cl)=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684540	0	39	-1.0	-70.55	347.37	3.73	-66.82
CC1=CC(=O)C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031684577	0	40	-1.0	-58.04	342.00	3.32	-54.72
CN(C(=O)C=C([O-])C1=CC=C(O)C=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684583	0	44	-1.0	-69.80	372.53	2.97	-66.83
CN(C(=O)C1=CC=CC(=O)N1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684615	0	39	-1.0	-84.06	342.86	2.95	-81.11
CN(C(=O)C1=CC=C(C#N)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684658	0	39	-1.0	-62.31	352.58	0.90	-61.41
CN(C(=O)COC1=NC(=O)[N-]C(=O)N1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684659	0	41	-1.0	-60.42	361.79	-4.47	-64.89
CN(C(=O)COC1=NC(=O)NC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684659	1	41	-1.0	-54.39	361.73	-4.42	-58.81
CN(C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684688	0	41	-1.0	-52.00	356.90	3.92	-48.08
CN(C(=O)C1=NN(C)C(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684732	0	38	-1.0	-60.16	330.46	-0.22	-60.38
CN(C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684767	0	41	-1.0	-53.80	358.90	0.31	-53.49
CN(C(=O)C1=C(F)C=CC(O)=C1O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684809	0	40	-1.0	-66.92	353.60	0.79	-66.13
CN(C(=O)C1=C(F)C=CC(O)=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684809	1	40	-1.0	-66.92	353.60	0.79	-66.13
CN(C(=O)C1=CC(C#N)=CC=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684819	0	40	-1.0	-58.16	351.88	3.24	-54.92
CN(C(=O)C1=CN([O-])C(=O)NC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031684946	0	39	-1.0	-59.88	347.97	0.57	-59.31
CN(C(=O)C1=CC=C(F)C([O-])=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685011	1	39	-1.0	-57.49	335.69	2.49	-55.00
CN(C(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685020	1	44	-1.0	-80.93	372.20	3.74	-77.19
CN(C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685023	0	41	-1.0	-61.28	359.58	3.87	-57.41
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685026	0	41	-1.0	-54.99	359.61	3.85	-51.14
CN(C(=O)C1=CC=C(Cl)C=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685039	1	39	-1.0	-63.77	348.15	3.70	-60.07
CN(C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685060	0	41	-1.0	-51.90	359.18	3.09	-48.81
CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685138	0	37	-1.0	-50.98	327.27	-2.04	-53.02
CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685138	1	37	-1.0	-50.98	327.27	-2.04	-53.02
CN(C(=O)C1=CC=C2N=NN([O-])C2=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685172	0	41	-1.0	-72.74	351.73	1.47	-71.27
CN(C(=O)C1=C(O)C2=CC=CC=C2C=N1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685213	0	44	-1.0	-72.29	370.45	5.63	-66.66
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685213	1	44	-1.0	-72.29	370.45	5.63	-66.66
CN(C(=O)C1=C(Cl)C(=O)[N-]S1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685214	0	35	-1.0	-57.74	329.10	0.17	-57.57
CN(C(=O)C1=CN=C(N)NC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685237	0	39	-1.0	-59.72	341.16	-0.29	-60.01
CN(C(=O)C1=CN=C(N)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685237	1	39	-1.0	-59.72	341.16	-0.29	-60.01
CC1=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)[N-]C(=O)C(C#N)=C1	REAL300031685268	0	42	-1.0	-52.42	365.40	2.49	-49.93
CN(C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685348	0	40	-1.0	-55.48	349.73	1.92	-53.56
CN(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685348	1	40	-1.0	-55.48	349.73	1.92	-53.56
CN(C(=O)C1=CC=C2N[N-]N=C2C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685356	0	41	-1.0	-55.10	355.97	1.10	-54.00
CN(C(=O)C1=NC=CC(Cl)=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685369	0	38	-1.0	-63.49	341.79	3.79	-59.70
CN(C(=O)CC1=CC=C(O)C(Cl)=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685375	0	42	-1.0	-68.48	373.67	4.05	-64.43
CN(C(=O)CC1=CC=C([O-])C(Cl)=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685375	1	42	-1.0	-68.48	373.67	4.05	-64.43
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685437	0	35	-1.0	-59.59	308.16	-0.35	-59.94
CC1SC(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300031685472	0	38	-1.0	-59.16	340.18	0.36	-58.80
CC1=C([O-])N=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)S1	REAL300031685472	1	38	-1.0	-59.16	340.18	0.36	-58.80
CN(C(=O)C1=C(O)C=CC2=CC=CC=C21)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685522	0	45	-1.0	-71.21	381.74	4.89	-66.32
CN(C(=O)C1=C([O-])C=CC2=CC=CC=C21)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685522	1	45	-1.0	-71.21	381.74	4.89	-66.32
CN(C(=O)C1=C(O)C2=CC=CC=C2C=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685542	0	45	-1.0	-70.63	373.00	6.09	-64.54
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685542	1	45	-1.0	-70.63	373.00	6.09	-64.54
CN(C(=O)C1=CC2=CC=CC=C2C=C1O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685550	0	45	-1.0	-78.70	377.47	5.54	-73.16
CN(C(=O)C1=CC2=CC=CC=C2C=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685550	1	45	-1.0	-78.70	377.47	5.54	-73.16
CN(C(=O)C(=O)C1=CC=C(O)C=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685600	0	41	-1.0	-58.36	351.54	2.76	-55.60
CN(C(=O)C(=O)C1=CC=C([O-])C=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685600	1	41	-1.0	-58.36	351.54	2.76	-55.60
CN(C(=O)C1=CN=C(C=N[O-])S1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685637	0	38	-1.0	-71.93	346.58	0.41	-71.52
CN(C(=O)C1=CC(=O)C=C(Cl)N1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685672	0	38	-1.0	-51.51	343.25	3.16	-48.35
CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685672	1	38	-1.0	-51.51	343.25	3.16	-48.35
CSC1=NC=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300031685698	0	41	-1.0	-59.97	369.10	0.88	-59.09
CSC1=NC=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031685698	1	41	-1.0	-59.97	369.10	0.88	-59.09
CN(C(=O)C1=CC(=O)NC([O-])=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685706	0	39	-1.0	-53.93	343.59	-1.72	-55.65
CCN1[N-]C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031685788	0	42	-1.0	-58.20	357.72	2.20	-56.00
CN(C(=O)C1=CC(=O)N(C)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685810	0	39	-1.0	-57.45	335.99	1.26	-56.19
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685827	0	39	-1.0	-59.12	351.88	-0.77	-59.89
CC1=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)C(=S)NC(=O)N1	REAL300031685829	0	41	-1.0	-64.47	363.58	0.61	-63.86
CC1=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300031685829	1	41	-1.0	-64.47	363.58	0.61	-63.86
CN(C(=O)C1=C(O)C=NC2=CC=CC=C21)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685900	0	44	-1.0	-59.94	376.38	2.97	-56.97
CN(C(=O)C1=C([O-])C=NC2=CC=CC=C21)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300031685900	1	44	-1.0	-59.94	376.38	2.97	-56.97
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300031687459	1	44	-1.0	-61.62	356.84	2.55	-59.07
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300031688098	0	45	-1.0	-65.66	375.73	0.94	-64.72
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300031688314	0	43	-1.0	-54.56	364.82	-1.45	-56.01
CC(=O)[N-]C1=NC(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=CS1	REAL300031688315	1	41	-1.0	-59.86	350.67	2.64	-57.22
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300031688473	1	44	-1.0	-70.31	369.17	2.36	-67.95
COC1=C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)NC(=O)[N-]C1=O	REAL300031688582	1	42	-1.0	-66.89	356.92	-2.06	-68.95
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1	REAL300031688696	0	37	-1.0	-64.58	312.15	-1.52	-66.10
O=C(CN1C(=O)[N-]NC1=O)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300031688813	0	39	-1.0	-67.61	333.21	-0.31	-67.92
COCC1=NC=C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031691046	1	44	-1.0	-68.21	371.76	0.51	-67.70
CC1=CC(=O)C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300031691147	0	40	-1.0	-66.22	329.95	4.33	-61.89
O=C(C1=NC(=O)N[N-]1)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300031691166	0	35	-1.0	-65.03	296.19	0.20	-64.83
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CC1	REAL300031691191	1	40	-1.0	-59.18	335.66	2.70	-56.48
O=C(C1=CN=C(C=N[O-])S1)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300031691329	0	38	-1.0	-78.63	332.01	0.97	-77.66
COC1=NC(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=CC(=O)[N-]1	REAL300031691349	0	41	-1.0	-65.20	331.56	-0.77	-65.97
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300031691608	1	38	-1.0	-68.76	312.43	4.51	-64.25
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300031691728	1	44	-1.0	-70.31	369.17	2.36	-67.95
CC(=O)[N-]C1=NC(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=CS1	REAL300031691740	1	41	-1.0	-59.86	350.67	2.64	-57.22
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1	REAL300031691772	0	37	-1.0	-64.58	312.15	-1.52	-66.10
COC1=C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)NC(=O)[N-]C1=O	REAL300031691826	1	42	-1.0	-66.89	356.92	-2.06	-68.95
O=C(CN1C(=O)[N-]NC1=O)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300031691995	0	39	-1.0	-67.61	333.21	-0.31	-67.92
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300031692985	0	45	-1.0	-65.66	375.73	0.94	-64.72
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300031693192	1	44	-1.0	-61.62	356.84	2.55	-59.07
O=C(C1=NC(=O)N[N-]1)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300031694986	0	35	-1.0	-65.03	296.19	0.20	-64.83
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=C([O-])C=CC=C2Cl)CC1	REAL300031694991	1	39	-1.0	-70.28	337.67	4.74	-65.54
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=CN([O-])C2=O)CC1	REAL300031694999	0	39	-1.0	-86.87	334.03	4.07	-82.80
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=C(F)C=CC([O-])=C2F)CC1	REAL300031695036	1	39	-1.0	-64.01	335.43	3.38	-60.63
NC1=CC(=O)[N-]C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=N1	REAL300031695154	0	39	-1.0	-68.50	324.61	0.48	-68.02
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300031695224	0	39	-1.0	-64.34	331.88	3.74	-60.60
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300031695231	1	39	-1.0	-66.28	320.18	4.74	-61.54
CC1=CC=NC(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=C1[O-]	REAL300031695323	1	41	-1.0	-70.75	333.96	5.17	-65.58
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300031695494	1	38	-1.0	-64.40	316.48	1.43	-62.97
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=CC(=S)N2[O-])CC1	REAL300031695507	0	39	-1.0	-91.33	330.46	5.64	-85.69
NC1=CC(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=CC([O-])=C1Cl	REAL300031695663	1	41	-1.0	-70.74	350.34	1.80	-68.94
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC1	REAL300031695668	0	38	-1.0	-60.14	330.73	3.35	-56.79
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=C([O-])C=C2Cl)CC1	REAL300031695730	1	39	-1.0	-56.91	336.21	3.83	-53.08
N#CC1=CC(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=C([O-])C=C1N	REAL300031695733	0	42	-1.0	-64.38	347.59	2.94	-61.44
O=C(CC1=NC([O-])=CS1)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300031695745	0	38	-1.0	-82.86	332.97	0.13	-82.73
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=C([O-])C=CC=C2F)CC1	REAL300031695767	0	39	-1.0	-66.14	329.05	3.40	-62.74
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300031695770	0	41	-1.0	-55.27	350.66	1.02	-54.25
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=C(F)C=C2[O-])CC1	REAL300031695772	0	39	-1.0	-73.20	320.38	4.69	-68.51
CC1=CC=C(F)C([O-])=C1C(=O)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300031695820	0	42	-1.0	-78.82	347.78	4.89	-73.93
O=C(CC1SC(=O)[N-]C1=O)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300031695909	0	39	-1.0	-58.64	340.25	-0.64	-59.28
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=C([O-])C(F)=C2F)CC1	REAL300031695942	0	39	-1.0	-64.64	326.60	3.35	-61.29
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CC1	REAL300031695945	1	40	-1.0	-52.57	339.29	1.67	-50.90
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=CC(Cl)=C2[O-])CC1	REAL300031695951	0	39	-1.0	-69.53	329.80	5.20	-64.33
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])CC1	REAL300031696961	1	45	-1.0	-78.96	359.92	6.94	-72.02
O=C(C(=O)N1CCCN(C(=O)C2=NSNC2=O)CC1)C1=CC=C([O-])C=C1	REAL300031697011	1	41	-1.0	-56.62	349.86	3.43	-53.19
O=C(C1=CN=C(C=N[O-])S1)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300031697048	0	38	-1.0	-78.63	332.01	0.97	-77.66
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1	REAL300031697083	1	38	-1.0	-55.10	330.35	4.37	-50.73
CSC1=NC=C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031697109	1	41	-1.0	-69.04	360.13	1.78	-67.26
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1	REAL300031697117	0	39	-1.0	-53.47	334.81	-0.82	-54.29
CCN1[N-]C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031697199	0	42	-1.0	-67.87	346.75	3.13	-64.74
CN1[N-]C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031697221	0	39	-1.0	-67.90	324.01	2.25	-65.65
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300031697238	0	39	-1.0	-61.53	344.51	0.03	-61.50
CC1=C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)C(=S)[N-]C(=O)N1	REAL300031697240	1	41	-1.0	-76.10	355.47	1.54	-74.56
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)CC1	REAL300031697311	1	44	-1.0	-56.06	365.14	3.75	-52.31
O=C(CC1=CC(=O)N[N-]1)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300031697416	1	39	-1.0	-57.58	329.55	1.13	-56.45
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300031697422	1	39	-1.0	-68.30	322.08	3.25	-65.05
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC1	REAL300031697484	0	39	-1.0	-63.96	328.02	3.35	-60.61
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=NC(Cl)=C2[O-])CC1	REAL300031697490	0	38	-1.0	-69.60	326.19	3.10	-66.50
CC1=C(CC(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)C(=O)N(C)[N-]1	REAL300031697510	0	45	-1.0	-66.45	371.01	3.19	-63.26
CC1=CN=C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)C([O-])=C1	REAL300031697559	1	41	-1.0	-70.34	333.89	5.16	-65.18
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])CC1	REAL300031697573	0	40	-1.0	-60.50	348.80	1.90	-58.60
O=C(C1=CC([O-])=CS1)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300031697593	0	36	-1.0	-74.46	306.64	1.95	-72.51
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1	REAL300031697615	0	39	-1.0	-75.16	321.14	3.74	-71.42
CN1[N-]C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031697850	0	39	-1.0	-67.90	324.01	2.25	-65.65
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300031697862	0	39	-1.0	-61.53	344.51	0.03	-61.50
CC1=C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)C(=S)[N-]C(=O)N1	REAL300031697863	1	41	-1.0	-76.10	355.47	1.54	-74.56
O=C(NC1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1)C1=NSNC1=O	REAL300031699310	1	44	-1.0	-56.38	374.74	0.73	-55.65
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC(NC(=O)C2=NSNC2=O)CC1	REAL300031699949	0	45	-1.0	-56.86	388.36	-1.06	-57.92
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCC(NC(=O)C2=NSNC2=O)CC1	REAL300031700165	0	43	-1.0	-55.93	376.06	-3.79	-59.72
CC(=O)[N-]C1=NC(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2)=CS1	REAL300031700166	1	41	-1.0	-46.39	367.43	0.20	-46.19
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC(NC(=O)C2=NSNC2=O)CC1	REAL300031700324	1	44	-1.0	-62.55	381.81	0.36	-62.19
COC1=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2)NC(=O)[N-]C1=O	REAL300031700433	1	42	-1.0	-57.42	371.41	-4.11	-61.53
O=C(NC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1)C1=NSNC1=O	REAL300031700547	0	37	-1.0	-56.23	329.86	-4.02	-60.25
O=C(CN1C(=O)[N-]NC1=O)N1CCC(NC(=O)C2=NSNC2=O)CC1	REAL300031700664	0	39	-1.0	-56.87	345.84	-2.30	-59.17
O=C(CC1SC(=O)[N-]C1=O)N1CCC(NC(=O)C2=NSNC2=O)CC1	REAL300031701971	0	39	-1.0	-51.20	354.22	-2.68	-53.88
CN1N=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300031701990	0	38	-1.0	-58.41	334.40	-1.47	-59.88
O=C(NC1CCN(C(=O)C2=C[N-]N=CC2=O)CC1)C1=NSNC1=O	REAL300031702105	0	37	-1.0	-48.89	324.81	-0.19	-49.08
O=C(NC1CCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)CC1)C1=NSNC1=O	REAL300031702145	0	41	-1.0	-64.18	358.21	0.32	-63.86
O=C(NC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C1=NSNC1=O	REAL300031702243	0	36	-1.0	-52.12	316.72	-1.64	-53.76
C[PH](C)([O-])C(=O)C(=O)N1CCC(NC(=O)C2=NSNC2=O)CC1	REAL300031702248	0	41	-1.0	-51.58	350.56	-0.68	-52.26
O=C(NC1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1)C1=NSNC1=O	REAL300031702297	0	39	-1.0	-72.00	342.98	1.83	-70.17
CSC1=NC=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2)C(=O)N1	REAL300031702317	0	41	-1.0	-57.80	368.94	-0.40	-58.20
CSC1=NC=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031702317	1	41	-1.0	-57.80	368.94	-0.40	-58.20
CC1SC(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2)=NC1=O	REAL300031702342	0	38	-1.0	-54.83	343.88	-0.82	-55.65
CC1=C([O-])N=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2)S1	REAL300031702342	1	38	-1.0	-54.83	343.88	-0.82	-55.65
O=C(NC1CCN(C(=O)C2=CC(=O)C=C(Cl)N2)CC1)C1=NSNC1=O	REAL300031702363	0	38	-1.0	-48.73	347.32	1.87	-46.86
O=C(NC1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1)C1=NSNC1=O	REAL300031702363	1	38	-1.0	-48.73	347.32	1.87	-46.86
O=C(NC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1)C1=NSNC1=O	REAL300031702385	0	39	-1.0	-68.04	342.45	1.85	-66.19
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NC1=NC([O-])=C(CC(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2)S1	REAL300031702616	0	40	-1.0	-70.17	361.46	-2.82	-72.99
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CCC1=NC=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2)C(=O)N1	REAL300031702701	0	43	-1.0	-54.82	363.90	0.07	-54.75
CCC1=NC=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031702701	1	43	-1.0	-54.82	363.90	0.07	-54.75
O=C(NC1CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)CC1)C1=NSNC1=O	REAL300031702790	0	35	-1.0	-52.54	335.81	-0.91	-53.45
COCC1=NC=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031702897	1	44	-1.0	-55.39	376.83	-1.68	-57.07
CC1=CC(=O)C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300031702998	0	40	-1.0	-54.66	345.99	2.07	-52.59
O=C(NC1CCN(C(=O)C2=NC(=O)N[N-]2)CC1)C1=NSNC1=O	REAL300031703017	0	35	-1.0	-52.12	311.50	-2.26	-54.38
O=C(NC1CCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CC1)C1=NSNC1=O	REAL300031703042	1	40	-1.0	-53.74	361.69	0.96	-52.78
O=C(NC1CCN(C(=O)C2=CN=C(C=N[O-])S2)CC1)C1=NSNC1=O	REAL300031703180	0	38	-1.0	-66.08	352.62	-0.63	-66.71
COC1=NC(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2)=CC(=O)[N-]1	REAL300031703200	0	41	-1.0	-55.63	355.73	-3.07	-58.70
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=NC=CC=C1[O-]	REAL300031703459	1	38	-1.0	-64.68	329.43	1.77	-62.91
O=C(CCN1C=C[N-]C(=O)C1=O)NC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031703579	1	44	-1.0	-65.26	379.02	0.55	-64.71
CC(=O)[N-]C1=NC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2)=CS1	REAL300031703591	1	41	-1.0	-49.20	367.50	-0.08	-49.28
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=NNC(=O)[N-]C1=O	REAL300031703623	0	37	-1.0	-58.00	328.94	-3.73	-61.73
COC1=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2)NC(=O)[N-]C1=O	REAL300031703677	1	42	-1.0	-58.57	364.33	-2.42	-60.99
O=C(CN1C(=O)[N-]NC1=O)NC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031703846	0	39	-1.0	-59.29	343.06	-2.06	-61.35
O=C(CCCN1C(=O)[N-]NC1=O)NC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031704836	0	45	-1.0	-59.54	385.58	-0.87	-60.41
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CN=C(C2CC2)[N-]C1=O	REAL300031705043	1	44	-1.0	-50.33	373.25	1.42	-48.91
O=C(CCC1=NNC(=O)[N-]C1=O)NC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031705896	0	43	-1.0	-58.53	373.28	-3.60	-62.13
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300031705906	0	41	-1.0	-60.11	360.28	3.70	-56.41
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(Cl)=CC=C1[O-]	REAL300031705920	1	39	-1.0	-62.30	348.93	4.01	-58.29
N#CC1=CC([O-])=CC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2)=C1	REAL300031705951	1	40	-1.0	-50.50	355.22	2.25	-48.25
NC1=CC(=O)[N-]C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2)=N1	REAL300031707005	0	39	-1.0	-62.03	341.55	-2.21	-64.24
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=C([O-])C(Cl)=C1	REAL300031707075	0	39	-1.0	-55.88	350.35	2.45	-53.43
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(F)=CC=C1[O-]	REAL300031707082	1	39	-1.0	-61.75	338.62	3.55	-58.20
CC1=CC=NC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2)=C1[O-]	REAL300031707174	1	41	-1.0	-64.32	349.76	2.47	-61.85
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CN=CC([O-])=C1	REAL300031707345	1	38	-1.0	-60.14	329.39	0.07	-60.07
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=CC(=S)N1[O-]	REAL300031707358	0	39	-1.0	-89.55	348.57	4.45	-85.10
NC1=CC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2)=CC([O-])=C1Cl	REAL300031707514	1	41	-1.0	-54.44	363.07	0.37	-54.07
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O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=C([O-])C=C1Cl	REAL300031707581	1	39	-1.0	-56.68	346.85	2.42	-54.26
N#CC1=CC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2)=C([O-])C=C1N	REAL300031707584	0	42	-1.0	-60.93	365.92	1.77	-59.16
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O=C(CN1[N-]C(=O)C=CC1=O)NC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031707621	0	41	-1.0	-59.95	359.17	-1.07	-61.02
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=C(F)C=C1[O-]	REAL300031707623	0	39	-1.0	-65.53	338.60	3.56	-61.97
CC1=CC=C(F)C([O-])=C1C(=O)NC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031707671	0	42	-1.0	-61.63	363.55	2.38	-59.25
O=C(CC1SC(=O)[N-]C1=O)NC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031707760	0	39	-1.0	-52.68	351.17	-2.51	-55.19
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=C([O-])C(F)=C1F	REAL300031707793	0	39	-1.0	-60.58	344.97	2.04	-58.54
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300031707796	1	40	-1.0	-40.64	353.60	0.64	-40.00
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=CC(Cl)=C1[O-]	REAL300031707802	0	39	-1.0	-66.17	347.93	3.98	-62.19
CC1=CC(=O)C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300031707839	0	40	-1.0	-55.76	346.10	2.13	-53.63
O=C(C=C([O-])C1=CC=C(O)C=C1)NC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031707845	0	44	-1.0	-68.06	375.88	1.99	-66.07
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=CC(=O)N1[O-]	REAL300031707877	0	39	-1.0	-86.33	337.16	3.38	-82.95
N#CC1=CC=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031707920	0	39	-1.0	-44.69	347.03	0.34	-44.35
O=C(COC1=NC(=O)[N-]C(=O)N1)NC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031707921	0	41	-1.0	-59.98	364.28	-5.52	-65.50
O=C(COC1=NC(=O)NC(=O)[N-]1)NC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031707921	1	41	-1.0	-53.69	364.22	-5.45	-59.14
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300031707950	0	41	-1.0	-50.07	360.18	3.18	-46.89
CSC1=NC=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031708960	1	41	-1.0	-49.79	363.40	0.35	-49.44
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)NC([O-])=C1	REAL300031708968	0	39	-1.0	-52.34	340.48	-2.48	-54.82
CCN1[N-]C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031709050	0	42	-1.0	-56.33	361.93	0.99	-55.34
CN1[N-]C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031709072	0	39	-1.0	-55.52	340.20	0.06	-55.46
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031709089	0	39	-1.0	-58.48	354.36	-1.83	-60.31
CC1=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2)C(=S)[N-]C(=O)N1	REAL300031709091	1	41	-1.0	-71.65	366.54	-0.30	-71.95
O=C(CC1=CC(=O)N[N-]1)NC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031709267	1	39	-1.0	-63.03	338.05	-1.03	-64.06
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=C([O-])C(F)=C1	REAL300031709273	1	39	-1.0	-60.18	340.55	1.97	-58.21
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(F)=C([O-])C(F)=C1	REAL300031709335	0	39	-1.0	-58.86	346.76	2.05	-56.81
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=NC(Cl)=C1[O-]	REAL300031709341	0	38	-1.0	-63.63	343.67	2.13	-61.50
CC1=C(CC(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)N(C)[N-]1	REAL300031709361	0	45	-1.0	-61.87	380.86	1.38	-60.49
CC1=CN=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2)C([O-])=C1	REAL300031709410	1	41	-1.0	-66.11	350.88	2.41	-63.70
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=C(O)C=CC(Cl)=C1[O-]	REAL300031709424	0	40	-1.0	-57.75	364.56	-0.47	-58.22
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC([O-])=CS1	REAL300031709444	0	36	-1.0	-63.19	326.61	0.82	-62.37
O=C(NC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CN([O-])C(=O)C=C1	REAL300031709466	0	39	-1.0	-71.68	340.02	2.43	-69.25
CN1[N-]C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031709701	0	39	-1.0	-54.50	339.54	0.05	-54.45
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=NSNC2=O)CC1	REAL300031709713	0	39	-1.0	-56.18	357.15	-1.97	-58.15
CC1=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2)C(=S)[N-]C(=O)N1	REAL300031709714	1	41	-1.0	-63.97	369.37	-0.71	-64.68
O=C(NC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1)C1=NSNC1=O	REAL300031709927	0	37	-1.0	-56.18	330.57	-4.12	-60.30
O=C(NC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1)C1=NSNC1=O	REAL300031709927	1	37	-1.0	-46.68	331.23	-3.34	-50.02
O=C(NCC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1)C1=NSNC1=O	REAL300031711408	0	40	-1.0	-60.88	349.57	-3.30	-64.18
O=C(CN1C(=O)[N-]NC1=O)N1CCC(CNC(=O)C2=NSNC2=O)CC1	REAL300031711492	0	42	-1.0	-62.13	365.56	-1.58	-63.71
O=C(NCC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1)C1=NSNC1=O	REAL300031712083	0	42	-1.0	-72.37	364.23	2.64	-69.73
O=C(NCC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1)C1=NSNC1=O	REAL300031712197	0	42	-1.0	-53.13	367.82	-2.13	-55.26
O=C(NCC1CCN(C(=O)C2=COC(=O)[N-]2)CC1)C1=NSNC1=O	REAL300031712208	1	38	-1.0	-51.31	331.70	-0.84	-52.15
CCN1[N-]C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031712378	0	45	-1.0	-58.03	381.35	1.76	-56.27
O=C(CC1=CC(=O)N[N-]1)N1CCC(CNC(=O)C2=NSNC2=O)CC1	REAL300031712386	1	42	-1.0	-64.53	360.55	-0.50	-65.03
O=C(NCC1CCN(C(=O)C2=CC=CC(=S)N2[O-])CC1)C1=NSNC1=O	REAL300031712404	0	42	-1.0	-92.64	372.76	4.02	-88.62
O=C(CC1SC(=O)[N-]C1=O)N1CCC(CNC(=O)C2=NSNC2=O)CC1	REAL300031712413	0	42	-1.0	-53.40	373.94	-1.97	-55.37
CN1N=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300031712429	0	41	-1.0	-61.08	354.12	-0.74	-61.82
O=C(NCC1CCN(C(=O)C2=C[N-]N=CC2=O)CC1)C1=NSNC1=O	REAL300031712518	0	40	-1.0	-47.42	344.52	0.54	-46.88
O=C(NCC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C1=NSNC1=O	REAL300031712617	0	39	-1.0	-53.98	336.85	-0.90	-54.88
C[PH](C)([O-])C(=O)C(=O)N1CCC(CNC(=O)C2=NSNC2=O)CC1	REAL300031712622	0	44	-1.0	-53.88	370.27	0.02	-53.86
O=C(NCC1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1)C1=NSNC1=O	REAL300031712653	0	42	-1.0	-66.15	362.70	2.54	-63.61
CC1SC(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)CC2)=NC1=O	REAL300031712681	0	41	-1.0	-58.84	363.59	-0.10	-58.94
CC1=C([O-])N=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)CC2)S1	REAL300031712681	1	41	-1.0	-58.84	363.59	-0.10	-58.94
O=C(NCC1CCN(C(=O)C2=CC(=O)C=C(Cl)N2)CC1)C1=NSNC1=O	REAL300031712695	0	41	-1.0	-51.27	368.93	2.48	-48.79
O=C(NCC1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1)C1=NSNC1=O	REAL300031712695	1	41	-1.0	-51.27	368.93	2.48	-48.79
O=C(NCC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1)C1=NSNC1=O	REAL300031712712	0	42	-1.0	-73.34	362.17	2.56	-70.78
O=C(NCC1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1)C1=NSNC1=O	REAL300031712745	0	42	-1.0	-88.44	361.64	3.18	-85.26
NC1=NC([O-])=C(CC(=O)N2CCC(CNC(=O)C3=NSNC3=O)CC2)S1	REAL300031712868	0	43	-1.0	-75.08	381.20	-2.09	-77.17
O=C(CC1=NC([O-])=CS1)N1CCC(CNC(=O)C2=NSNC2=O)CC1	REAL300031712913	0	41	-1.0	-76.35	366.40	-1.22	-77.57
CCC1=NC=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)CC2)C(=O)N1	REAL300031712931	0	46	-1.0	-51.46	383.61	0.79	-50.67
CCC1=NC=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031712931	1	46	-1.0	-51.46	383.61	0.79	-50.67
CC1=CC(=O)C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300031713142	0	43	-1.0	-57.69	365.70	2.79	-54.90
O=C(NCC1CCN(C(=O)C2=NNC(=O)[N-]2)CC1)C1=NSNC1=O	REAL300031713157	0	38	-1.0	-58.20	331.15	-2.43	-60.63
O=C(NCC1CCN(C(=O)C2=CN=C(C=N[O-])S2)CC1)C1=NSNC1=O	REAL300031713268	0	41	-1.0	-68.68	372.21	0.08	-68.60
COC1=NC(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)CC2)=CC(=O)[N-]1	REAL300031713281	0	44	-1.0	-59.43	375.45	-2.35	-61.78
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=NC=CC=C1[O-]	REAL300031713537	1	41	-1.0	-66.20	349.15	2.51	-63.69
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=NNC(=O)[N-]C1=O	REAL300031713660	0	40	-1.0	-59.49	348.65	-2.98	-62.47
O=C(CN1C(=O)[N-]NC1=O)NCC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031713820	0	42	-1.0	-61.18	362.78	-1.34	-62.52
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(Cl)=CC=C1[O-]	REAL300031715139	1	42	-1.0	-63.85	368.64	4.74	-59.11
N#CC1=CC([O-])=CC(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)=C1	REAL300031715164	1	43	-1.0	-52.11	374.93	2.96	-49.15
CCC1=NC=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031715247	1	46	-1.0	-51.68	381.89	1.55	-50.13
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=COC(=O)[N-]1	REAL300031715265	1	38	-1.0	-54.20	332.27	-1.92	-56.12
O=C(C[N-]C(=O)C(F)(F)F)NCC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031715332	0	41	-1.0	-53.07	366.96	-1.07	-54.14
NC1=NC([O-])=C(CC(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)S1	REAL300031715333	0	43	-1.0	-70.90	378.43	-1.88	-72.78
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=C(F)C=C([O-])C=C1F	REAL300031715342	0	42	-1.0	-53.42	370.35	2.54	-50.88
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=C([O-])C=C1F	REAL300031715357	1	42	-1.0	-59.66	358.60	2.68	-56.98
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC([O-])=CC(=O)O1	REAL300031715363	0	41	-1.0	-55.76	357.41	1.85	-53.91
N#CC1=CC=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)C=C1[O-]	REAL300031715370	1	43	-1.0	-64.21	374.23	3.03	-61.18
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(Cl)=NC=C1[O-]	REAL300031715373	0	41	-1.0	-60.50	364.07	2.82	-57.68
O=C(CN1N=CC(=O)[N-]C1=O)NCC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031715389	0	43	-1.0	-63.95	373.11	-2.45	-66.40
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=C[N-]N=CC1=O	REAL300031715467	0	40	-1.0	-46.64	341.32	1.22	-45.42
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=CC(F)=C1[O-]	REAL300031715476	0	42	-1.0	-72.59	358.14	4.28	-68.31
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=CC([O-])=C1F	REAL300031715562	1	42	-1.0	-71.14	358.46	2.66	-68.48
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)N[N-]1	REAL300031715660	0	39	-1.0	-54.41	337.10	-0.93	-55.34
C[PH](C)([O-])C(=O)C(=O)NCC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031715666	0	44	-1.0	-51.47	375.62	0.38	-51.09
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)N([O-])C=C1	REAL300031715753	0	42	-1.0	-73.62	360.10	3.14	-70.48
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=NNC(=O)[N-]1	REAL300031715777	0	38	-1.0	-57.98	331.58	-2.40	-60.38
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=C(O)C=CC=C1Cl	REAL300031715780	0	42	-1.0	-59.02	373.31	2.93	-56.09
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=C([O-])C=CC=C1Cl	REAL300031715780	1	42	-1.0	-59.02	373.31	2.93	-56.09
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=CN([O-])C1=O	REAL300031715784	0	42	-1.0	-64.33	356.98	3.26	-61.07
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=C(F)C=CC(O)=C1F	REAL300031715813	0	42	-1.0	-57.83	370.19	2.52	-55.31
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=C(F)C=CC([O-])=C1F	REAL300031715813	1	42	-1.0	-57.83	370.19	2.52	-55.31
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(F)=CC=C1O	REAL300031715948	0	42	-1.0	-63.32	358.33	4.28	-59.04
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(F)=CC=C1[O-]	REAL300031715948	1	42	-1.0	-63.32	358.33	4.28	-59.04
CC1=CC=NC(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)=C1[O-]	REAL300031716011	1	44	-1.0	-66.00	369.47	3.21	-62.79
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CN=CC([O-])=C1	REAL300031716115	1	41	-1.0	-61.63	349.11	0.80	-60.83
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=CC(=S)N1[O-]	REAL300031716125	0	42	-1.0	-90.89	368.29	5.18	-85.71
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=C([O-])C(Cl)=N1	REAL300031716232	0	41	-1.0	-51.57	367.46	1.35	-50.22
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=C([O-])C=C1Cl	REAL300031716270	1	42	-1.0	-58.15	366.57	3.12	-55.03
O=C(CC1=NC([O-])=CS1)NCC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031716281	0	41	-1.0	-73.17	363.35	-1.04	-74.21
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=C([O-])C=CC=C1F	REAL300031716296	1	42	-1.0	-59.86	363.82	2.55	-57.31
O=C(CN1[N-]C(=O)C=CC1=O)NCC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031716298	0	44	-1.0	-61.71	378.89	-0.34	-62.05
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=C(F)C=C1[O-]	REAL300031716299	0	42	-1.0	-67.06	358.32	4.29	-62.77
CC1=CC=C(F)C([O-])=C1C(=O)NCC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031716329	0	45	-1.0	-69.40	383.26	3.11	-66.29
O=C(CC1SC(=O)[N-]C1=O)NCC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031716391	0	42	-1.0	-55.38	370.88	-1.79	-57.17
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=C([O-])C(F)=C1F	REAL300031716416	0	42	-1.0	-61.98	364.68	2.75	-59.23
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=CC(Cl)=C1[O-]	REAL300031716422	0	42	-1.0	-67.10	367.94	4.75	-62.35
CC1=CC(=O)C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300031716450	0	43	-1.0	-57.29	365.81	2.87	-54.42
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=CC(=O)N1[O-]	REAL300031716475	0	42	-1.0	-86.83	357.17	4.14	-82.69
N#CC1=CC=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031716503	0	42	-1.0	-47.31	366.76	1.05	-46.26
CN1N=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300031716549	0	41	-1.0	-60.85	354.42	-0.74	-61.59
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=C(F)C=CC(O)=C1O	REAL300031716598	0	43	-1.0	-60.96	374.56	0.61	-60.35
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=C(F)C=CC(O)=C1[O-]	REAL300031716598	1	43	-1.0	-60.96	374.56	0.61	-60.35
N#CC1=CC=C([O-])C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)=C1	REAL300031716607	0	43	-1.0	-60.70	372.75	4.63	-56.07
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CN([O-])C(=O)NC1=O	REAL300031716690	0	42	-1.0	-54.65	362.43	0.75	-53.90
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=C(F)C(O)=C1	REAL300031716741	0	42	-1.0	-68.39	360.30	2.64	-65.75
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=C(F)C([O-])=C1	REAL300031716741	1	42	-1.0	-68.39	360.30	2.64	-65.75
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=C(Cl)C=C1O	REAL300031716759	0	42	-1.0	-66.59	368.64	4.74	-61.85
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=C(Cl)C=C1[O-]	REAL300031716759	1	42	-1.0	-66.59	368.64	4.74	-61.85
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=NC(=O)[N-]C(=O)N1	REAL300031716826	0	40	-1.0	-57.53	350.21	-3.99	-61.52
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=NC(=O)NC(=O)[N-]1	REAL300031716826	1	40	-1.0	-51.07	350.86	-3.23	-54.30
NC1=NC=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031716880	1	42	-1.0	-52.32	355.20	-0.10	-52.42
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=C(F)C([O-])=C1F	REAL300031716913	0	42	-1.0	-71.18	364.65	2.73	-68.45
COC1=NC(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)=CC(=O)[N-]1	REAL300031716955	0	44	-1.0	-59.50	377.81	-2.92	-62.42
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=NC=CC(Cl)=C1[O-]	REAL300031716964	0	41	-1.0	-62.45	365.34	3.03	-59.42
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=C(Cl)C([O-])=C1	REAL300031717002	0	42	-1.0	-63.97	370.10	3.12	-60.85
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=NC=C1[O-]	REAL300031717011	1	41	-1.0	-66.75	347.20	2.40	-64.35
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)[N-]O1	REAL300031717017	0	38	-1.0	-58.93	331.84	-0.45	-59.38
CC1=C([O-])N=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)S1	REAL300031717039	1	41	-1.0	-60.34	363.64	-0.81	-61.15
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC=C([O-])C=C1	REAL300031717131	1	44	-1.0	-57.28	374.06	2.41	-54.87
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CN=C(C=N[O-])S1	REAL300031717150	0	41	-1.0	-68.57	372.47	0.65	-67.92
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)C=C(Cl)[N-]1	REAL300031717171	1	41	-1.0	-51.25	367.24	2.36	-48.89
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)NC([O-])=C1	REAL300031717191	0	42	-1.0	-54.07	360.19	-1.76	-55.83
CCN1[N-]C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031717248	0	45	-1.0	-57.82	381.64	1.71	-56.11
CN1[N-]C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031717267	0	42	-1.0	-57.03	359.91	0.78	-56.25
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031717277	0	42	-1.0	-59.84	374.08	-1.10	-60.94
O=C(CC1=CC(=O)N[N-]1)NCC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031717404	1	42	-1.0	-63.82	357.77	-0.30	-64.12
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=C([O-])C(F)=C1	REAL300031717409	1	42	-1.0	-61.66	360.26	2.68	-58.98
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(F)=C([O-])C(F)=C1	REAL300031717455	0	42	-1.0	-60.53	366.48	2.75	-57.78
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=NC(Cl)=C1[O-]	REAL300031717460	0	41	-1.0	-65.08	363.38	2.85	-62.23
CC1=C(CC(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)N(C)[N-]1	REAL300031717475	0	48	-1.0	-65.76	400.58	2.11	-63.65
CC1=CN=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)C([O-])=C1	REAL300031717511	1	44	-1.0	-67.63	370.59	3.15	-64.48
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC([O-])=CS1	REAL300031717532	0	39	-1.0	-64.73	346.32	1.52	-63.21
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CN([O-])C(=O)C=C1	REAL300031717548	0	42	-1.0	-73.16	359.73	3.13	-70.03
CN1[N-]C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031717700	0	42	-1.0	-56.76	359.25	0.77	-55.99
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=NSNC2=O)CC1	REAL300031717707	0	42	-1.0	-58.89	376.86	-1.25	-60.14
O=C(NCC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1)C1=NSNC1=O	REAL300031717856	0	40	-1.0	-54.22	350.29	-3.40	-57.62
O=C(NCC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1)C1=NSNC1=O	REAL300031717856	1	40	-1.0	-50.57	350.94	-2.63	-53.20
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC(CNC(=O)C2=NSNC2=O)CC1	REAL300031717995	0	44	-1.0	-62.11	381.65	-0.61	-62.72
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NSNC1=O	REAL300031718002	0	38	-1.0	-59.57	331.74	-0.83	-60.40
O=C(NCC1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1)C1=NSNC1=O	REAL300031718013	0	42	-1.0	-57.52	371.77	0.12	-57.40
O=C(NC1CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300031718527	1	44	-1.0	-65.32	376.91	0.71	-64.61
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031719166	0	45	-1.0	-61.65	388.34	-1.08	-62.73
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031719382	0	43	-1.0	-65.45	376.07	-3.79	-69.24
CC(=O)[N-]C1=NC(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)=CS1	REAL300031719383	1	41	-1.0	-54.33	367.17	0.16	-54.17
COC1=C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031719650	1	42	-1.0	-62.04	371.42	-4.10	-66.14
O=C(CN1C(=O)[N-]NC1=O)N1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031719881	0	39	-1.0	-70.72	345.84	-2.30	-73.02
O=C(NC1CCCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=NSNC1=O	REAL300031722007	0	35	-1.0	-63.02	336.38	-0.89	-63.91
COCC1=NC=C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300031722114	0	44	-1.0	-65.02	378.78	-1.64	-66.66
COCC1=NC=C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031722114	1	44	-1.0	-65.02	378.78	-1.64	-66.66
CC1=CC(=O)C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031722215	0	40	-1.0	-67.62	347.04	1.87	-65.75
O=C(NC1CCCN(C(=O)C2=NC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300031722234	0	35	-1.0	-57.72	311.69	-2.25	-59.97
O=C(NC1CCCN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C1)C1=NSNC1=O	REAL300031722259	0	40	-1.0	-58.49	358.85	0.88	-57.61
O=C(NC1CCCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=NSNC1=O	REAL300031722259	1	40	-1.0	-58.49	358.85	0.88	-57.61
O=C(NC1CCCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=NSNC1=O	REAL300031722397	0	38	-1.0	-73.16	353.37	-0.58	-73.74
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=NC=CC=C1O	REAL300031722676	0	38	-1.0	-77.21	329.17	1.73	-75.48
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=NC=CC=C1[O-]	REAL300031722676	1	38	-1.0	-77.21	329.17	1.73	-75.48
O=C(CCN1C=CNC(=O)C1=O)NC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031722796	0	44	-1.0	-70.17	379.02	0.54	-69.63
O=C(CCN1C=C[N-]C(=O)C1=O)NC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031722796	1	44	-1.0	-70.17	379.02	0.54	-69.63
CC(=O)NC1=NC(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)=CS1	REAL300031722808	0	41	-1.0	-55.62	368.22	-0.25	-55.87
CC(=O)[N-]C1=NC(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)=CS1	REAL300031722808	1	41	-1.0	-55.62	368.22	-0.25	-55.87
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300031722840	0	37	-1.0	-67.58	328.68	-3.77	-71.35
COC1=C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)NC(=O)NC1=O	REAL300031722894	0	42	-1.0	-65.05	362.11	-2.47	-67.52
COC1=C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031722894	1	42	-1.0	-65.05	362.11	-2.47	-67.52
O=C(CN1C(=O)[N-]NC1=O)NC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031723063	0	39	-1.0	-72.88	343.06	-2.06	-74.94
O=C(CCCN1C(=O)[N-]NC1=O)NC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031724053	0	45	-1.0	-71.03	385.59	-0.87	-71.90
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300031724260	1	44	-1.0	-59.25	373.72	1.45	-57.80
COCC1=NC=C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031725959	1	44	-1.0	-59.42	375.38	-0.88	-60.30
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(F)=CC(F)=C1[O-]	REAL300031725989	0	39	-1.0	-74.98	344.57	3.58	-71.40
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N([O-])C=C1	REAL300031726019	0	39	-1.0	-79.82	340.92	2.28	-77.54
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)N[N-]1	REAL300031726054	0	35	-1.0	-59.23	311.71	-2.98	-62.21
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C=CC=C1Cl	REAL300031726059	1	39	-1.0	-69.05	353.61	2.21	-66.84
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CN([O-])C1=O	REAL300031726067	0	39	-1.0	-67.50	337.74	2.57	-64.93
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=C(F)C=CC([O-])=C1F	REAL300031726104	1	39	-1.0	-65.90	350.48	1.80	-64.10
NC1=CC(=O)[N-]C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)=N1	REAL300031726222	0	39	-1.0	-72.39	341.54	-2.21	-74.60
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(Cl)=C1	REAL300031726292	0	39	-1.0	-61.20	350.87	2.33	-58.87
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(F)=CC=C1[O-]	REAL300031726299	1	39	-1.0	-74.10	338.35	3.52	-70.58
CC1=CC=NC(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300031726391	1	41	-1.0	-78.33	349.76	2.46	-75.87
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN=CC([O-])=C1	REAL300031726562	1	38	-1.0	-70.49	329.39	0.07	-70.42
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=S)N1[O-]	REAL300031726575	0	39	-1.0	-103.34	348.31	4.42	-98.92
NC1=CC(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)=CC([O-])=C1Cl	REAL300031726731	1	41	-1.0	-60.94	363.08	0.36	-60.58
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(Cl)=N1	REAL300031726736	0	38	-1.0	-56.08	347.48	0.60	-55.48
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C=C1Cl	REAL300031726798	1	39	-1.0	-65.40	346.86	2.42	-62.98
N#CC1=CC(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)=C([O-])C=C1N	REAL300031726801	0	42	-1.0	-72.99	365.66	1.74	-71.25
O=C(CC1=NC([O-])=CS1)NC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031726813	0	38	-1.0	-84.50	343.91	-1.75	-86.25
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C=CC=C1F	REAL300031726835	1	39	-1.0	-73.17	344.11	1.83	-71.34
O=C(CN1[N-]C(=O)C=CC1=O)NC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031726838	0	41	-1.0	-70.41	359.62	-1.18	-71.59
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(F)C=C1[O-]	REAL300031726840	0	39	-1.0	-80.23	338.61	3.56	-76.67
CC1=CC=C(F)C([O-])=C1C(=O)NC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031726888	0	42	-1.0	-78.29	363.55	2.39	-75.90
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300031728021	1	45	-1.0	-85.17	377.15	5.82	-79.35
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300031728029	1	45	-1.0	-87.64	377.97	5.73	-81.91
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C([O-])C=C1	REAL300031728079	1	41	-1.0	-63.49	355.21	1.61	-61.88
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300031728116	0	38	-1.0	-73.17	352.49	-0.09	-73.26
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300031728151	1	38	-1.0	-57.90	347.27	1.60	-56.30
CSC1=NC=C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031728177	1	41	-1.0	-58.56	363.70	0.40	-58.16
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)NC([O-])=C1	REAL300031728185	0	39	-1.0	-60.54	340.49	-2.48	-63.02
CCN1[N-]C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031728267	0	42	-1.0	-64.98	361.66	0.96	-64.02
CN1[N-]C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031728289	0	39	-1.0	-64.01	339.93	0.02	-63.99
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031728306	0	39	-1.0	-66.52	354.36	-1.83	-68.35
CC1=C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300031728308	1	41	-1.0	-75.05	368.66	-0.66	-75.71
O=C(CC1=CC(=O)N[N-]1)NC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031728484	1	39	-1.0	-74.94	338.05	-1.03	-75.97
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(F)=C1	REAL300031728490	1	39	-1.0	-64.46	341.08	1.84	-62.62
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(F)=C([O-])C(F)=C1	REAL300031728552	0	39	-1.0	-66.57	346.77	2.05	-64.52
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=NC(Cl)=C1[O-]	REAL300031728558	0	38	-1.0	-76.20	343.40	2.09	-74.11
CC1=C(CC(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300031728578	0	45	-1.0	-77.77	380.87	1.38	-76.39
CC1=CN=C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300031728627	1	41	-1.0	-78.78	350.61	2.37	-76.41
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=C(O)C=CC(Cl)=C1[O-]	REAL300031728641	0	40	-1.0	-66.71	364.57	-0.47	-67.18
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC([O-])=CS1	REAL300031728661	0	36	-1.0	-72.88	326.62	0.81	-72.07
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)C=C1	REAL300031728683	0	39	-1.0	-81.33	340.03	2.43	-78.90
CN1[N-]C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031728918	0	39	-1.0	-63.67	339.61	0.08	-63.59
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031728930	0	39	-1.0	-64.60	357.12	-1.98	-66.58
CC1=C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300031728931	1	41	-1.0	-81.50	369.40	-0.72	-82.22
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=NNC(=O)[N-]C1=O	REAL300031730625	0	40	-1.0	-59.49	348.65	-2.98	-62.47
O=C(CN1C(=O)[N-]NC1=O)NCC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031730709	0	42	-1.0	-61.18	362.78	-1.34	-62.52
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CN([O-])C(=O)C=C1	REAL300031731300	0	42	-1.0	-73.16	359.73	3.13	-70.03
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)NC([O-])=C1	REAL300031731414	0	42	-1.0	-54.07	360.19	-1.76	-55.83
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=COC(=O)[N-]1	REAL300031731425	1	38	-1.0	-54.20	332.27	-1.92	-56.12
CCN1[N-]C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031731595	0	45	-1.0	-57.82	381.64	1.71	-56.11
O=C(CC1=CC(=O)N[N-]1)NCC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031731603	1	42	-1.0	-63.82	357.77	-0.30	-64.12
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=CC(=S)N1[O-]	REAL300031731621	0	42	-1.0	-90.89	368.29	5.18	-85.71
O=C(CC1SC(=O)[N-]C1=O)NCC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031731630	0	42	-1.0	-55.38	370.88	-1.79	-57.17
CN1N=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300031731646	0	41	-1.0	-60.85	354.42	-0.74	-61.59
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=C[N-]N=CC1=O	REAL300031731735	0	40	-1.0	-46.64	341.32	1.22	-45.42
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)N[N-]1	REAL300031731834	0	39	-1.0	-54.41	337.10	-0.93	-55.34
C[PH](C)([O-])C(=O)C(=O)NCC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031731839	0	44	-1.0	-51.47	375.62	0.38	-51.09
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=CN([O-])C1=O	REAL300031731870	0	42	-1.0	-64.33	356.98	3.26	-61.07
CC1SC(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)=NC1=O	REAL300031731898	0	41	-1.0	-60.34	363.64	-0.81	-61.15
CC1=C([O-])N=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)S1	REAL300031731898	1	41	-1.0	-60.34	363.64	-0.81	-61.15
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)C=C(Cl)N1	REAL300031731912	0	41	-1.0	-51.25	367.24	2.36	-48.89
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)C=C(Cl)[N-]1	REAL300031731912	1	41	-1.0	-51.25	367.24	2.36	-48.89
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)N([O-])C=C1	REAL300031731929	0	42	-1.0	-73.62	360.10	3.14	-70.48
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=CC(=O)N1[O-]	REAL300031731962	0	42	-1.0	-86.83	357.17	4.14	-82.69
O=C(C[N-]C(=O)C(F)(F)F)NCC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031732084	0	41	-1.0	-53.07	366.96	-1.07	-54.14
NC1=NC([O-])=C(CC(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)S1	REAL300031732085	0	43	-1.0	-70.90	378.43	-1.88	-72.78
O=C(CC1=NC([O-])=CS1)NCC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031732130	0	41	-1.0	-73.17	363.35	-1.04	-74.21
CCC1=NC=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031732148	1	46	-1.0	-51.68	381.89	1.55	-50.13
O=C(CN1N=CC(=O)[N-]C1=O)NCC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031732157	0	43	-1.0	-63.95	373.11	-2.45	-66.40
CC1=CC(=O)C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300031732359	0	43	-1.0	-57.29	365.81	2.87	-54.42
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=NNC(=O)[N-]1	REAL300031732374	0	38	-1.0	-57.98	331.58	-2.40	-60.38
O=C(NCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CN=C(C=N[O-])S1	REAL300031732485	0	41	-1.0	-68.57	372.47	0.65	-67.92
COC1=NC(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)=CC(=O)[N-]1	REAL300031732498	0	44	-1.0	-59.50	377.81	-2.92	-62.42
O=C(NCC1CCN(C(=O)C2=NC=CC=C2[O-])CC1)C1=NSNC1=O	REAL300031732754	1	41	-1.0	-67.15	348.94	2.73	-64.42
O=C(NCC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1)C1=NSNC1=O	REAL300031732877	0	40	-1.0	-60.88	349.57	-3.30	-64.18
O=C(CN1C(=O)[N-]NC1=O)N1CCC(CNC(=O)C2=NSNC2=O)CC1	REAL300031733037	0	42	-1.0	-62.13	365.56	-1.58	-63.71
O=C(NCC1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC1)C1=NSNC1=O	REAL300031734356	1	42	-1.0	-65.20	373.06	3.41	-61.79
N#CC1=CC([O-])=CC(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)CC2)=C1	REAL300031734381	1	43	-1.0	-51.68	376.67	2.37	-49.31
CCC1=NC=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031734464	1	46	-1.0	-51.46	383.61	0.79	-50.67
O=C(NCC1CCN(C(=O)C2=COC(=O)[N-]2)CC1)C1=NSNC1=O	REAL300031734482	1	38	-1.0	-51.31	331.70	-0.84	-52.15
O=C(C[N-]C(=O)C(F)(F)F)N1CCC(CNC(=O)C2=NSNC2=O)CC1	REAL300031734549	0	41	-1.0	-54.14	370.01	-1.29	-55.43
NC1=NC([O-])=C(CC(=O)N2CCC(CNC(=O)C3=NSNC3=O)CC2)S1	REAL300031734550	0	43	-1.0	-75.08	381.20	-2.09	-77.17
O=C(NCC1CCN(C(=O)C2=C(F)C=C([O-])C=C2F)CC1)C1=NSNC1=O	REAL300031734559	0	42	-1.0	-52.89	373.61	2.31	-50.58
O=C(NCC1CCN(C(=O)C2=CC=C([O-])C=C2F)CC1)C1=NSNC1=O	REAL300031734574	1	42	-1.0	-60.06	360.64	2.07	-57.99
O=C(NCC1CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1)C1=NSNC1=O	REAL300031734580	0	41	-1.0	-56.23	359.13	1.49	-54.74
N#CC1=CC=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)CC2)C=C1[O-]	REAL300031734587	1	43	-1.0	-54.06	375.74	2.43	-51.63
O=C(NCC1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])CC1)C1=NSNC1=O	REAL300031734590	0	41	-1.0	-61.87	368.14	1.45	-60.42
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC(CNC(=O)C2=NSNC2=O)CC1	REAL300031734606	0	43	-1.0	-67.11	375.89	-2.71	-69.82
CC1=CC=C([O-])C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)CC2)=N1	REAL300031734666	1	44	-1.0	-67.92	370.55	3.32	-64.60
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O=C(NCC1CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1)C1=NSNC1=O	REAL300031734693	0	42	-1.0	-74.18	362.57	2.95	-71.23
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CN1[N-]C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031736917	0	42	-1.0	-57.03	359.91	0.78	-56.25
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CN1[N-]C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031747506	0	39	-1.0	-54.50	339.54	0.05	-54.45
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CN(CCCNC(=O)CN1N=CC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031755175	0	39	-1.0	-67.19	356.62	-3.35	-70.54
CN(CCCNC(=O)C1=C(Cl)C(=O)[N-]S1)C(=O)C1=NSNC1=O	REAL300031755275	0	34	-1.0	-56.22	338.17	-0.54	-56.76
COCC1=NC=C(C(=O)NCCCN(C)C(=O)C2=NSNC2=O)C(=O)N1	REAL300031755415	0	43	-1.0	-55.68	378.62	-1.07	-56.75
COCC1=NC=C(C(=O)NCCCN(C)C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031755415	1	43	-1.0	-55.68	378.62	-1.07	-56.75
CN(CCCNC(=O)C1=CN=C(CC2CC2)NC1=O)C(=O)C1=NSNC1=O	REAL300031755430	0	46	-1.0	-54.64	396.61	2.28	-52.36
CN(CCCNC(=O)C1=CN=C(CC2CC2)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031755430	1	46	-1.0	-54.64	396.61	2.28	-52.36
CC1=CC(=O)C(C(=O)NCCCN(C)C(=O)C2=NSNC2=O)=N[N-]1	REAL300031755538	0	39	-1.0	-59.00	349.33	1.97	-57.03
CN(CCCNC(=O)C1=NNC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031755562	0	34	-1.0	-58.80	315.10	-3.29	-62.09
CN(CCCNC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C(=O)C1=NSNC1=O	REAL300031755593	0	39	-1.0	-55.27	357.80	1.18	-54.09
CN(CCCNC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C(=O)C1=NSNC1=O	REAL300031755593	1	39	-1.0	-55.27	357.80	1.18	-54.09
CN(CCCNC(=O)C1=CN=C(C=N[O-])S1)C(=O)C1=NSNC1=O	REAL300031755756	0	37	-1.0	-68.07	355.98	-0.24	-68.31
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=NC=CC=C1[O-]	REAL300031756034	1	37	-1.0	-65.75	332.02	1.91	-63.84
CN(CCCNC(=O)C1=NSNC1=O)C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300031756165	1	43	-1.0	-63.93	384.31	0.07	-63.86
CC(=O)[N-]C1=NC(C(=O)N(C)CCCNC(=O)C2=NSNC2=O)=CS1	REAL300031756183	1	40	-1.0	-48.23	370.16	0.05	-48.18
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=NNC(=O)[N-]C1=O	REAL300031756224	0	36	-1.0	-59.42	332.06	-3.96	-63.38
COC1=C(C(=O)N(C)CCCNC(=O)C2=NSNC2=O)NC(=O)[N-]C1=O	REAL300031756294	1	41	-1.0	-57.20	374.24	-4.31	-61.51
CN(CCCNC(=O)C1=NSNC1=O)C(=O)CN1C(=O)[N-]NC1=O	REAL300031756505	0	38	-1.0	-60.14	348.35	-2.58	-62.72
CN(CCCNC(=O)C1=NSNC1=O)C(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300031756575	0	42	-1.0	-63.73	382.17	0.33	-63.40
CN(CCCNC(=O)C1=NSNC1=O)C(=O)CCCN1C(=O)[N-]NC1=O	REAL300031757772	0	44	-1.0	-60.23	391.14	-1.33	-61.56
CC(C)CN1[N-]C(CC(=O)N(C)CCCNC(=O)C2=NSNC2=O)=CC1=O	REAL300031757983	0	50	-1.0	-65.72	425.60	2.44	-63.28
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300031758043	1	43	-1.0	-55.92	381.43	0.57	-55.35
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	REAL300031758296	0	43	-1.0	-43.95	378.58	0.11	-43.84
CC1=C(C(=O)N(C)CCCNC(=O)C2=NSNC2=O)C(=O)[N-]C(C(C)C)=N1	REAL300031758851	1	48	-1.0	-61.58	414.74	0.83	-60.75
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CN=CC([O-])=C1	REAL300031761026	1	37	-1.0	-61.17	331.05	-0.88	-62.05
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CC(=S)N1[O-]	REAL300031761042	0	38	-1.0	-81.78	361.08	2.17	-79.61
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300031761217	1	46	-1.0	-59.83	401.45	1.09	-58.74
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300031761236	1	40	-1.0	-54.34	364.75	-0.53	-54.87
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300031761241	0	37	-1.0	-49.62	350.78	0.72	-48.90
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N	REAL300031761319	0	42	-1.0	-58.19	376.71	0.95	-57.24
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C=C1Cl	REAL300031761326	1	38	-1.0	-57.13	348.91	1.52	-55.61
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300031761329	0	41	-1.0	-61.22	371.82	0.11	-61.11
CN(CCCNC(=O)C1=NSNC1=O)C(=O)CC1=NC([O-])=CS1	REAL300031761344	0	37	-1.0	-73.42	349.46	-2.21	-75.63
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=C([O-])C=CC=C1F	REAL300031761372	1	38	-1.0	-61.21	349.90	1.31	-59.90
CN(CCCNC(=O)C1=NSNC1=O)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300031761376	0	40	-1.0	-60.71	364.73	-1.59	-62.30
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C(F)C=C1[O-]	REAL300031761381	0	38	-1.0	-66.80	340.51	2.59	-64.21
CC1=CC=C(F)C([O-])=C1C(=O)N(C)CCCNC(=O)C1=NSNC1=O	REAL300031761442	0	41	-1.0	-63.28	369.34	1.88	-61.40
CN(CCCNC(=O)C1=NSNC1=O)C(=O)CC1SC(=O)[N-]C1=O	REAL300031761557	0	38	-1.0	-53.68	356.46	-2.99	-56.67
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C(F)=C1F	REAL300031761591	0	38	-1.0	-60.38	350.75	1.18	-59.20
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300031761595	1	39	-1.0	-46.58	362.33	-0.34	-46.92
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300031761602	0	38	-1.0	-66.30	353.98	2.37	-63.93
CC1=CC(=O)C(C(=O)N(C)CCCNC(=O)C2=NSNC2=O)=N[N-]1	REAL300031761646	0	39	-1.0	-56.46	349.23	1.91	-54.55
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300031761652	0	43	-1.0	-69.27	380.58	1.48	-67.79
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CC(=O)N1[O-]	REAL300031761691	0	38	-1.0	-77.90	349.97	1.53	-76.37
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300031761741	0	38	-1.0	-57.64	359.65	-0.52	-58.16
CN(CCCNC(=O)C1=NSNC1=O)C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300031761742	0	40	-1.0	-59.34	369.84	-5.94	-65.28
CN(CCCNC(=O)C1=NSNC1=O)C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300031761742	1	40	-1.0	-53.67	369.78	-5.90	-59.57
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300031761774	0	40	-1.0	-50.48	363.73	2.56	-47.92
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=NN(C)C(=O)[N-]1	REAL300031761824	0	37	-1.0	-60.20	338.01	-1.71	-61.91
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300031761871	0	40	-1.0	-55.73	364.04	-1.16	-56.89
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=C(F)C=CC(O)=C1O	REAL300031761918	0	39	-1.0	-62.54	360.60	-0.62	-63.16
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300031761918	1	39	-1.0	-62.54	360.60	-0.62	-63.16
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300031761933	0	39	-1.0	-59.55	358.83	2.24	-57.31
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300031762096	0	38	-1.0	-55.51	350.94	-0.90	-56.41
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300031762140	0	38	-1.0	-59.92	360.59	2.39	-57.53
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C(F)C([O-])=C1	REAL300031762180	1	38	-1.0	-56.51	342.25	1.05	-55.46
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300031762190	1	43	-1.0	-76.63	378.93	2.32	-74.31
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300031762194	0	40	-1.0	-64.07	362.27	3.18	-60.89
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300031762198	0	40	-1.0	-55.27	366.14	2.48	-52.79
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300031762212	1	38	-1.0	-66.32	350.83	3.05	-63.27
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300031762244	0	40	-1.0	-50.64	364.25	1.63	-49.01
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300031762353	0	36	-1.0	-49.42	334.17	-3.45	-52.87
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300031762353	1	36	-1.0	-49.42	334.17	-3.45	-52.87
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300031762404	0	40	-1.0	-69.33	360.35	0.08	-69.25
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=C(O)C2=CC=CC=C2C=N1	REAL300031762453	0	43	-1.0	-69.64	377.01	4.24	-65.40
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300031762453	1	43	-1.0	-69.64	377.01	4.24	-65.40
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300031762454	0	34	-1.0	-56.61	335.95	-1.23	-57.84
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(N)NC1=O	REAL300031762483	0	38	-1.0	-57.68	347.29	-1.72	-59.40
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(N)[N-]C1=O	REAL300031762483	1	38	-1.0	-57.68	347.29	-1.72	-59.40
CC1=C(C(=O)N(C)CCCNC(=O)C2=NSNC2=O)[N-]C(=O)C(C#N)=C1	REAL300031762526	0	41	-1.0	-57.39	378.48	-0.01	-57.40
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300031762628	0	38	-1.0	-56.21	358.23	1.62	-54.59
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300031762637	0	39	-1.0	-53.56	357.00	0.51	-53.05
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300031762637	1	39	-1.0	-53.56	357.00	0.51	-53.05
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300031762647	0	40	-1.0	-52.86	360.84	-0.27	-53.13
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300031762660	0	37	-1.0	-62.06	347.98	2.40	-59.66
CN(CCCNC(=O)C1=NSNC1=O)C(=O)CC1=CC=C(O)C(Cl)=C1	REAL300031762667	0	41	-1.0	-66.25	380.61	2.62	-63.63
CN(CCCNC(=O)C1=NSNC1=O)C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300031762667	1	41	-1.0	-66.25	380.61	2.62	-63.63
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300031762741	0	34	-1.0	-57.89	314.70	-1.75	-59.64
CC1SC(C(=O)N(C)CCCNC(=O)C2=NSNC2=O)=NC1=O	REAL300031762792	0	37	-1.0	-57.57	347.29	-1.12	-58.69
CC1=C([O-])N=C(C(=O)N(C)CCCNC(=O)C2=NSNC2=O)S1	REAL300031762792	1	37	-1.0	-57.57	347.29	-1.12	-58.69
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=C(O)C=CC2=CC=CC=C21	REAL300031762854	0	44	-1.0	-63.97	388.84	3.46	-60.51
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=C([O-])C=CC2=CC=CC=C21	REAL300031762854	1	44	-1.0	-63.97	388.84	3.46	-60.51
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=C(O)C2=CC=CC=C2C=C1	REAL300031762874	0	44	-1.0	-70.66	379.09	4.86	-65.80
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300031762874	1	44	-1.0	-70.66	379.09	4.86	-65.80
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC2=CC=CC=C2C=C1O	REAL300031762883	0	44	-1.0	-75.36	380.25	4.79	-70.57
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300031762883	1	44	-1.0	-75.36	380.25	4.79	-70.57
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C(=O)C1=CC=C(O)C=C1	REAL300031762943	0	40	-1.0	-56.05	366.38	1.07	-54.98
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300031762943	1	40	-1.0	-56.05	366.38	1.07	-54.98
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(C=N[O-])S1	REAL300031762983	0	37	-1.0	-69.70	353.64	-1.01	-70.71
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031763021	1	37	-1.0	-50.04	350.46	1.74	-48.30
CSC1=NC=C(C(=O)N(C)CCCNC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031763052	1	40	-1.0	-58.11	375.22	-0.55	-58.66
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)NC([O-])=C1	REAL300031763062	0	38	-1.0	-52.74	342.23	-3.36	-56.10
CCN1[N-]C(C(=O)N(C)CCCNC(=O)C2=NSNC2=O)=CC1=O	REAL300031763161	0	41	-1.0	-56.80	365.10	0.78	-56.02
CN(CCCNC(=O)C1=NSNC1=O)C(=O)CNC(=O)C1=NC=CC=C1[O-]	REAL300031763173	1	44	-1.0	-66.42	393.97	-0.23	-66.65
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(C)[N-]1	REAL300031763187	0	38	-1.0	-56.06	343.36	-0.16	-56.22
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300031763201	1	41	-1.0	-73.64	365.16	-0.47	-74.11
CN(CCCNC(=O)C1=NSNC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300031763206	0	38	-1.0	-58.15	359.66	-2.28	-60.43
CC1=C(C(=O)N(C)CCCNC(=O)C2=NSNC2=O)C(=S)[N-]C(=O)N1	REAL300031763208	1	40	-1.0	-64.32	373.96	-0.85	-65.17
CC1=C(C(=O)N(C)CCCNC(=O)C2=NSNC2=O)C(=O)[N-]C(C2CC2)=N1	REAL300031763219	1	46	-1.0	-64.11	402.97	1.10	-63.01
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=C([O-])C=NC2=CC=CC=C21	REAL300031763286	1	43	-1.0	-59.74	383.49	1.58	-58.16
CN(CCCNC(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300031763414	1	38	-1.0	-63.19	343.61	-1.49	-64.68
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C(F)=C1	REAL300031763421	1	38	-1.0	-58.39	342.22	1.09	-57.30
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300031763495	0	38	-1.0	-59.28	348.43	1.16	-58.12
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300031763501	0	37	-1.0	-64.37	349.09	0.37	-64.00
CC1=C(CC(=O)N(C)CCCNC(=O)C2=NSNC2=O)C(=O)N(C)[N-]1	REAL300031763526	0	44	-1.0	-63.28	386.42	0.92	-62.36
CN(CCCNC(=O)C1=NSNC1=O)C(=O)CCC(=O)C1=CC=C([O-])C=C1	REAL300031763538	1	46	-1.0	-59.75	406.05	2.75	-57.00
CC1=CN=C(C(=O)N(C)CCCNC(=O)C2=NSNC2=O)C([O-])=C1	REAL300031763582	1	40	-1.0	-67.08	353.90	2.51	-64.57
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=C(O)C=CC(Cl)=C1[O-]	REAL300031763601	0	39	-1.0	-62.46	370.35	-0.98	-63.44
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC([O-])=CS1	REAL300031763627	0	35	-1.0	-67.05	327.43	-0.16	-67.21
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CN([O-])C(=O)C=C1	REAL300031763655	0	38	-1.0	-65.83	350.39	1.77	-64.06
CN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300031763663	0	38	-1.0	-59.65	356.53	3.12	-56.53
CN(CCCNC(=O)C1=CC(=O)N(C)[N-]1)C(=O)C1=NSNC1=O	REAL300031763946	0	38	-1.0	-58.13	343.42	-0.13	-58.26
CN(CCCNC(=O)C1=CC=CC2=C1C(=O)[N-]C2=O)C(=O)C1=NSNC1=O	REAL300031763956	1	41	-1.0	-73.84	366.13	0.30	-73.54
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300031765290	0	43	-1.0	-65.35	352.92	-1.80	-67.15
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300031765332	0	45	-1.0	-65.39	370.09	0.14	-65.25
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300031765615	0	45	-1.0	-75.33	368.37	3.71	-71.62
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300031765679	0	45	-1.0	-55.63	366.18	-0.56	-56.19
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)C1=COC(=O)[N-]1	REAL300031765690	1	41	-1.0	-51.84	335.82	0.95	-50.89
CCN1[N-]C(C(=O)N2CCCCC2C(C)NC(=O)C2=NSNC2=O)=CC1=O	REAL300031765783	0	48	-1.0	-61.79	385.70	3.43	-58.36
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)CC1=CC(=O)N[N-]1	REAL300031765789	1	45	-1.0	-68.58	365.09	1.23	-67.35
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300031765805	0	44	-1.0	-64.28	360.42	0.51	-63.77
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)C1=C[N-]N=CC1=O	REAL300031765849	0	43	-1.0	-48.97	351.94	1.67	-47.30
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)C1=CC(=O)N[N-]1	REAL300031765900	0	42	-1.0	-56.89	343.06	0.35	-56.54
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300031765904	0	47	-1.0	-51.26	378.40	1.82	-49.44
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)CCC1=NNC(=O)[N-]1	REAL300031765921	0	47	-1.0	-60.37	380.41	0.78	-59.59
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)C1=CC=CN([O-])C1=O	REAL300031765923	0	45	-1.0	-63.76	368.23	3.91	-59.85
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)C1=NC(=O)C(C)S1	REAL300031765941	0	44	-1.0	-59.81	367.81	1.65	-58.16
CC1=C([O-])N=C(C(=O)N2CCCCC2C(C)NC(=O)C2=NSNC2=O)S1	REAL300031765941	1	44	-1.0	-59.81	367.81	1.65	-58.16
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300031765952	0	45	-1.0	-75.59	370.35	3.75	-71.84
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300031765971	0	45	-1.0	-61.45	365.77	4.00	-57.45
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)CC1=NC([O-])=CS1	REAL300031766055	0	44	-1.0	-75.90	371.09	0.54	-75.36
CC1=CC(=O)C(C(=O)N2CCCCC2C(C)NC(=O)C2=NSNC2=O)=N[N-]1	REAL300031766174	0	46	-1.0	-62.15	370.46	4.09	-58.06
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)C1=NC(=O)N[N-]1	REAL300031766182	0	41	-1.0	-55.94	336.09	0.26	-55.68
CC(NC(=O)C1=NC=CC=C1[O-])C1CCCCN1C(=O)C1=NSNC1=O	REAL300031766498	1	44	-1.0	-80.48	356.36	3.30	-77.18
CC(NC(=O)C1=NNC(=O)[N-]C1=O)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031766587	0	43	-1.0	-68.95	355.22	-1.82	-70.77
CC(NC(=O)CN1C(=O)[N-]NC1=O)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031766674	0	45	-1.0	-71.87	366.78	0.30	-71.57
CC(NC(=O)C1=COC(=O)[N-]1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031767470	1	41	-1.0	-62.45	336.28	-0.27	-62.72
CC(NC(=O)C1=CC=C([O-])C=C1F)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031767532	1	45	-1.0	-65.80	362.27	4.23	-61.57
CC(NC(=O)C1=CC([O-])=CC(=O)O1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031767535	0	44	-1.0	-60.36	361.09	3.39	-56.97
CC(NC(=O)CCC1=NC(=O)[N-]N1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031767583	1	47	-1.0	-65.15	376.70	0.29	-64.86
CC(NC(=O)C1=C[N-]N=CC1=O)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031767592	0	43	-1.0	-57.93	347.71	2.55	-55.38
CC(NC(=O)C1=CC=CC(F)=C1[O-])C1CCCCN1C(=O)C1=NSNC1=O	REAL300031767599	0	45	-1.0	-86.42	361.81	5.49	-80.93
CC(NC(=O)C1=CC=CC([O-])=C1F)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031767654	1	45	-1.0	-80.62	362.14	4.20	-76.42
CC(NC(=O)C1=CC(=O)N[N-]1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031767719	0	42	-1.0	-64.45	340.77	0.66	-63.79
CC(NC(=O)C(=O)[PH](C)(C)[O-])C1CCCCN1C(=O)C1=NSNC1=O	REAL300031767724	0	47	-1.0	-62.35	378.49	1.41	-60.94
CC(NC(=O)C1=CC(=O)N([O-])C=C1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031767770	0	45	-1.0	-76.87	363.78	4.71	-72.16
CC(NC(=O)C1=NC(=O)N[N-]1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031767785	0	41	-1.0	-61.12	336.05	-0.55	-61.67
CC(NC(=O)C1=CC=CN([O-])C1=O)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031767789	0	45	-1.0	-67.75	361.97	4.82	-62.93
CC(NC(=O)C1=CC(F)=CC=C1O)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031767886	0	45	-1.0	-76.38	362.00	5.50	-70.88
CC(NC(=O)C1=CC(F)=CC=C1[O-])C1CCCCN1C(=O)C1=NSNC1=O	REAL300031767886	1	45	-1.0	-76.38	362.00	5.50	-70.88
CC1=CC=NC(C(=O)NC(C)C2CCCCN2C(=O)C2=NSNC2=O)=C1O	REAL300031767927	0	47	-1.0	-80.28	376.68	3.99	-76.29
CC1=CC=NC(C(=O)NC(C)C2CCCCN2C(=O)C2=NSNC2=O)=C1[O-]	REAL300031767927	1	47	-1.0	-80.28	376.68	3.99	-76.29
CC(NC(=O)C1=CN=CC([O-])=C1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031767982	1	44	-1.0	-68.39	353.46	2.44	-65.95
CC(NC(=O)CC1=NC([O-])=CS1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768061	0	44	-1.0	-77.23	370.84	-0.23	-77.46
CC(NC(=O)C1=C([O-])C=CC=C1F)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768072	1	45	-1.0	-69.80	367.21	2.67	-67.13
CC(NC(=O)C1=CC=C(F)C=C1[O-])C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768073	0	45	-1.0	-79.76	361.99	5.51	-74.25
CC1=CC(=O)C(C(=O)NC(C)C2CCCCN2C(=O)C2=NSNC2=O)=N[N-]1	REAL300031768157	0	46	-1.0	-70.81	372.38	4.04	-66.77
CC(NC(=O)C1=CC=CC(=O)N1[O-])C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768172	0	45	-1.0	-98.43	361.31	5.43	-93.00
CC(NC(=O)C1=NN(C)C(=O)[N-]1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768214	0	44	-1.0	-71.76	358.11	0.85	-70.91
CC(NC(=O)C1=CC=C(F)C([O-])=C1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768329	1	45	-1.0	-76.64	366.78	4.01	-72.63
CC(NC(=O)C1=NC(=O)[N-]C(=O)N1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768376	0	43	-1.0	-58.05	358.08	-2.45	-60.50
CC(NC(=O)C1=NC(=O)NC(=O)[N-]1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768376	1	43	-1.0	-58.05	358.08	-2.45	-60.50
CC(NC(=O)C1=CN=C(N)NC1=O)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768411	0	45	-1.0	-61.38	360.19	1.46	-59.92
CC(NC(=O)C1=CN=C(N)[N-]C1=O)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768411	1	45	-1.0	-61.38	360.19	1.46	-59.92
CC(NC(=O)C1=CC=NC=C1O)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768487	0	44	-1.0	-78.92	354.42	3.19	-75.73
CC(NC(=O)C1=CC=NC=C1[O-])C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768487	1	44	-1.0	-78.92	354.42	3.19	-75.73
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768492	0	41	-1.0	-64.65	336.20	1.22	-63.43
CC(NC(=O)C1=NC(=O)C(C)S1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768507	0	44	-1.0	-63.80	368.00	0.86	-62.94
CC1=C([O-])N=C(C(=O)NC(C)C2CCCCN2C(=O)C2=NSNC2=O)S1	REAL300031768507	1	44	-1.0	-63.80	368.00	0.86	-62.94
CC(NC(=O)C1=CC(=O)NC([O-])=C1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768599	0	45	-1.0	-59.07	367.42	-0.97	-60.04
CCN1[N-]C(C(=O)NC(C)C2CCCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300031768637	0	48	-1.0	-68.85	385.32	3.31	-65.54
CC(NC(=O)C1=CC(=O)N(C)[N-]1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768653	0	45	-1.0	-68.91	364.02	2.44	-66.47
CC(NC(=O)CC1=CC(=O)NN1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768731	0	45	-1.0	-70.87	364.98	0.49	-70.38
CC(NC(=O)CC1=CC(=O)N[N-]1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768731	1	45	-1.0	-70.87	364.98	0.49	-70.38
CC(NC(=O)C1=CC=C(O)C(F)=C1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768735	0	45	-1.0	-67.70	366.75	4.05	-63.65
CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768735	1	45	-1.0	-67.70	366.75	4.05	-63.65
CC1=CN=C(C(=O)NC(C)C2CCCCN2C(=O)C2=NSNC2=O)C(O)=C1	REAL300031768791	0	47	-1.0	-83.82	374.27	4.35	-79.47
CC1=CN=C(C(=O)NC(C)C2CCCCN2C(=O)C2=NSNC2=O)C([O-])=C1	REAL300031768791	1	47	-1.0	-83.82	374.27	4.35	-79.47
CC(NC(=O)C1=CC([O-])=CS1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768803	0	42	-1.0	-72.81	350.00	3.11	-69.70
CC(NC(=O)C1=CN([O-])C(=O)C=C1)C1CCCCN1C(=O)C1=NSNC1=O	REAL300031768814	0	45	-1.0	-77.29	363.40	4.71	-72.58
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300031768897	0	45	-1.0	-59.51	365.79	2.05	-57.46
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300031768965	0	43	-1.0	-55.58	356.98	-2.21	-57.79
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300031768965	1	43	-1.0	-53.83	354.72	-0.85	-54.68
CC(NC(=O)C1=NSNC1=O)C1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300031769054	0	41	-1.0	-62.91	335.86	0.93	-61.98
O=C(NCC1(NC(=O)C2=NSNC2=O)CCCCCC1)C1=COC(=O)[N-]1	REAL300031769773	1	44	-1.0	-50.10	353.62	-1.22	-51.32
O=C(CC1=CC(=O)N[N-]1)NCC1(NC(=O)C2=NSNC2=O)CCCCCC1	REAL300031769850	1	48	-1.0	-65.46	379.12	0.43	-65.03
CN1N=C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCCCC2)[N-]C1=O	REAL300031769859	0	47	-1.0	-59.51	375.70	-0.01	-59.52
O=C(NC1(CNC(=O)C2=C[N-]N=CC2=O)CCCCCC1)C1=NSNC1=O	REAL300031769888	0	46	-1.0	-46.68	365.90	1.73	-44.95
O=C(NCC1(NC(=O)C2=NSNC2=O)CCCCCC1)C1=CC(=O)N[N-]1	REAL300031769922	0	45	-1.0	-52.99	358.45	-0.22	-53.21
O=C(NCC1(NC(=O)C2=NSNC2=O)CCCCCC1)C1=NC(=O)N[N-]1	REAL300031770086	0	44	-1.0	-50.35	353.04	-1.52	-51.87
O=C(NCC1(NC(=O)C2=NC=CC=C2[O-])CCCCCC1)C1=NSNC1=O	REAL300031770377	1	47	-1.0	-71.11	370.51	3.21	-67.90
O=C(NCC1(NC(=O)C2=COC(=O)[N-]2)CCCCCC1)C1=NSNC1=O	REAL300031770761	1	44	-1.0	-51.05	356.69	-1.24	-52.29
O=C(NCC1(NC(=O)C2=C[N-]N=CC2=O)CCCCCC1)C1=NSNC1=O	REAL300031770824	0	46	-1.0	-44.94	365.85	1.93	-43.01
O=C(NCC1(NC(=O)C2=CC(=O)N[N-]2)CCCCCC1)C1=NSNC1=O	REAL300031770872	0	45	-1.0	-54.59	361.69	-0.24	-54.83
O=C(NCC1(NC(=O)C2=NC(=O)N[N-]2)CCCCCC1)C1=NSNC1=O	REAL300031770899	0	44	-1.0	-51.90	356.12	-1.53	-53.43
O=C(NCC1(NC(=O)C2=CN=CC([O-])=C2)CCCCCC1)C1=NSNC1=O	REAL300031770991	1	47	-1.0	-62.44	373.70	1.50	-60.94
CN1N=C(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCCCC2)[N-]C1=O	REAL300031771076	0	47	-1.0	-63.60	375.78	0.13	-63.47
O=C(NCC1(NC(=O)C2=CC=NC=C2[O-])CCCCCC1)C1=NSNC1=O	REAL300031771177	1	47	-1.0	-70.18	371.80	2.95	-67.23
O=C(NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCCCC1)C1=NSNC1=O	REAL300031771179	0	44	-1.0	-57.54	356.27	0.24	-57.30
CN1[N-]C(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCCCC2)=CC1=O	REAL300031771252	0	48	-1.0	-56.72	384.26	1.46	-55.26
O=C(CC1=CC(=O)N[N-]1)NC1(CNC(=O)C2=NSNC2=O)CCCCCC1	REAL300031771287	1	48	-1.0	-67.37	382.30	0.35	-67.02
O=C(NC1(CNC(=O)C2=NSNC2=O)CCCCCC1)C1=CC([O-])=CS1	REAL300031771322	0	45	-1.0	-65.54	370.91	2.23	-63.31
CN1[N-]C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCCCC2)=CC1=O	REAL300031771376	0	48	-1.0	-55.94	381.27	1.49	-54.45
O=C(NCC1(NC(=O)C2=NSNC2=O)CCCCCC1)C1=CC(=O)[N-]O1	REAL300031771479	0	44	-1.0	-55.43	356.26	0.10	-55.33
CCN(CCCNC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031771951	1	46	-1.0	-55.84	394.35	2.53	-53.31
CCN(CCCNC(=O)CCCN1C(=O)[N-]NC1=O)C(=O)C1=NSNC1=O	REAL300031772560	0	47	-1.0	-61.44	406.83	0.12	-61.32
CCN(CCCNC(=O)CCC1=NNC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031772762	0	45	-1.0	-59.76	394.53	-2.60	-62.36
CCN(CCCNC(=O)C1=CSC([N-]C(C)=O)=N1)C(=O)C1=NSNC1=O	REAL300031772763	1	43	-1.0	-52.02	388.76	0.90	-51.12
CCN(CCCNC(=O)CCN1C=C[N-]C(=O)C1=O)C(=O)C1=NSNC1=O	REAL300031772905	1	46	-1.0	-66.88	400.27	1.54	-65.34
CCN(CCCNC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C(=O)C1=NSNC1=O	REAL300031773010	1	44	-1.0	-59.42	383.75	-1.43	-60.85
CCN(CCCNC(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031773114	0	39	-1.0	-59.78	350.20	-2.74	-62.52
CCN(CCCNC(=O)CN1C(=O)[N-]NC1=O)C(=O)C1=NSNC1=O	REAL300031773227	0	41	-1.0	-61.97	364.32	-1.08	-63.05
CCN(CCCNC(=O)C[N-]C(=O)C(F)(F)F)C(=O)C1=NSNC1=O	REAL300031775107	0	40	-1.0	-54.67	368.76	-0.79	-55.46
CCN(CCCNC(=O)CC1=C([O-])N=C(N)S1)C(=O)C1=NSNC1=O	REAL300031775108	0	42	-1.0	-71.51	379.96	-1.62	-73.13
CCN(CCCNC(=O)CC1=NC([O-])=CS1)C(=O)C1=NSNC1=O	REAL300031775166	0	40	-1.0	-73.65	365.15	-0.75	-74.40
CCC1=NC=C(C(=O)NCCCN(CC)C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031775191	1	45	-1.0	-54.30	383.51	1.87	-52.43
CCN(CCCNC(=O)CN1N=CC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031775203	0	42	-1.0	-64.13	374.65	-2.19	-66.32
CCN(CCCNC(=O)C1=C(Cl)C(=O)[N-]S1)C(=O)C1=NSNC1=O	REAL300031775278	0	37	-1.0	-56.00	356.20	0.63	-55.37
CCN(CCCNC(=O)C1=CN=C(COC)NC1=O)C(=O)C1=NSNC1=O	REAL300031775382	0	46	-1.0	-55.25	396.44	0.12	-55.13
CCN(CCCNC(=O)C1=CN=C(COC)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300031775382	1	46	-1.0	-55.25	396.44	0.12	-55.13
CCN(CCCNC(=O)C1=N[N-]C(C)=CC1=O)C(=O)C1=NSNC1=O	REAL300031775481	0	42	-1.0	-58.85	367.36	3.13	-55.72
CCN(CCCNC(=O)C1=NNC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031775499	0	37	-1.0	-58.56	333.13	-2.13	-60.69
CCN(CCCNC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C(=O)C1=NSNC1=O	REAL300031775524	0	42	-1.0	-54.99	375.82	2.34	-52.65
CCN(CCCNC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C(=O)C1=NSNC1=O	REAL300031775524	1	42	-1.0	-54.99	375.82	2.34	-52.65
CCN(CCCNC(=O)C1=CN=C(C=N[O-])S1)C(=O)C1=NSNC1=O	REAL300031775658	0	40	-1.0	-67.83	374.01	0.92	-66.91
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=NC=CC=C1O	REAL300031775939	0	40	-1.0	-66.21	350.78	3.14	-63.07
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=NC=CC=C1[O-]	REAL300031775939	1	40	-1.0	-66.21	350.78	3.14	-63.07
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300031776053	1	46	-1.0	-63.46	400.52	0.88	-62.58
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CSC([N-]C(C)=O)=N1	REAL300031776065	1	43	-1.0	-48.37	388.68	1.33	-47.04
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=NNC(=O)[N-]C1=O	REAL300031776093	0	39	-1.0	-59.96	350.03	-2.81	-62.77
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=C(OC)C(=O)[N-]C(=O)N1	REAL300031776144	1	44	-1.0	-57.03	395.17	-3.34	-60.37
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)CN1C(=O)[N-]NC1=O	REAL300031776308	0	41	-1.0	-60.05	364.56	-1.78	-61.83
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N[N-]1	REAL300031778996	0	38	-1.0	-53.64	338.62	-0.77	-54.41
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C(=O)[PH](C)(C)[O-]	REAL300031779004	0	43	-1.0	-52.69	373.44	0.73	-51.96
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N(C)[N-]1	REAL300031779009	0	44	-1.0	-65.08	386.41	1.14	-63.94
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(COC)[N-]C1=O	REAL300031779068	1	46	-1.0	-57.10	398.21	-1.41	-58.51
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(F)=CC(F)=C1[O-]	REAL300031779096	0	41	-1.0	-63.10	364.30	3.42	-59.68
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N([O-])C=C1	REAL300031779126	0	41	-1.0	-71.07	359.83	2.42	-68.65
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=NC(=O)N[N-]1	REAL300031779160	0	37	-1.0	-52.11	333.54	-1.09	-53.20
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=C([O-])C=CC=C1Cl	REAL300031779165	1	41	-1.0	-58.08	374.28	2.44	-55.64
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CN([O-])C1=O	REAL300031779173	0	41	-1.0	-79.09	361.49	2.41	-76.68
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=C(F)C=CC([O-])=C1F	REAL300031779206	1	41	-1.0	-57.25	373.23	2.10	-55.15
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=NC(N)=CC(=O)[N-]1	REAL300031779319	0	41	-1.0	-63.27	362.57	-0.78	-64.05
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300031779388	0	41	-1.0	-54.67	369.46	2.39	-52.28
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(F)=CC=C1[O-]	REAL300031779395	1	41	-1.0	-60.60	364.76	2.27	-58.33
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=NC=CC(C)=C1[O-]	REAL300031779484	1	43	-1.0	-65.62	368.13	3.72	-61.90
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CN=CC([O-])=C1	REAL300031779649	1	40	-1.0	-60.88	348.83	-0.04	-60.92
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CC(=S)N1[O-]	REAL300031779662	0	41	-1.0	-88.14	368.21	4.26	-83.88
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300031779811	1	43	-1.0	-54.19	382.20	0.30	-53.89
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300031779816	0	40	-1.0	-49.61	368.73	2.07	-47.54
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C=C1Cl	REAL300031779877	1	41	-1.0	-56.36	366.53	2.32	-54.04
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300031779880	0	44	-1.0	-59.27	392.12	0.49	-58.78
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)CC1=NC([O-])=CS1	REAL300031779892	0	40	-1.0	-74.14	365.40	-1.42	-75.56
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=C([O-])C=CC=C1F	REAL300031779913	0	41	-1.0	-59.82	366.55	2.31	-57.51
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300031779916	0	43	-1.0	-60.64	384.70	-0.68	-61.32
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C(F)C=C1[O-]	REAL300031779918	0	41	-1.0	-65.95	358.08	3.36	-62.59
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300031780965	0	37	-1.0	-58.39	334.26	-0.88	-59.27
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=NC([O-])=C(C)S1	REAL300031780998	1	40	-1.0	-57.27	365.47	0.39	-56.88
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300031781115	1	43	-1.0	-56.19	382.62	1.94	-54.25
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(C=N[O-])S1	REAL300031781149	0	40	-1.0	-70.34	370.54	-0.29	-70.63
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031781180	1	40	-1.0	-50.15	368.34	3.06	-47.09
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(SC)[N-]C1=O	REAL300031781205	1	43	-1.0	-63.37	396.61	0.42	-62.95
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)NC([O-])=C1	REAL300031781212	0	41	-1.0	-52.04	371.33	-2.16	-54.20
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(CC)[N-]1	REAL300031781287	0	44	-1.0	-57.06	383.20	1.88	-55.18
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(C)[N-]1	REAL300031781309	0	41	-1.0	-56.35	361.47	0.94	-55.41
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300031781325	0	41	-1.0	-57.83	375.87	-1.47	-59.30
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=C(C)NC(=O)[N-]C1=S	REAL300031781327	1	43	-1.0	-70.48	392.69	-0.19	-70.67
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300031781497	1	41	-1.0	-63.05	359.55	-0.70	-63.75
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C(F)=C1	REAL300031781503	1	41	-1.0	-58.09	359.66	1.91	-56.18
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300031781562	0	41	-1.0	-58.76	365.87	1.99	-56.77
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300031781568	0	40	-1.0	-61.98	369.68	0.74	-61.24
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)CC1=C(C)[N-]N(C)C1=O	REAL300031781588	0	47	-1.0	-62.96	406.40	1.83	-61.13
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=NC=C(C)C=C1[O-]	REAL300031781634	1	43	-1.0	-67.29	371.81	3.86	-63.43
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC([O-])=CS1	REAL300031781665	0	38	-1.0	-68.18	344.31	0.55	-67.63
CCN(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CN([O-])C(=O)C=C1	REAL300031781686	0	41	-1.0	-67.15	366.06	2.51	-64.64
CCN(CCCNC(=O)C1=CC(=O)N(C)[N-]1)C(=O)C1=NSNC1=O	REAL300031781913	0	41	-1.0	-57.88	361.45	1.03	-56.85
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300031781924	0	41	-1.0	-59.66	375.62	-0.84	-60.50
CCN(CCCNC(=O)C1=C(C)NC(=O)[N-]C1=S)C(=O)C1=NSNC1=O	REAL300031781925	1	43	-1.0	-75.31	388.88	0.44	-74.87
O=C(NCCCN(C(=O)C1=NSNC1=O)C1CC1)C1=NNC(=O)[N-]C1=O	REAL300031783603	0	40	-1.0	-53.52	354.12	-2.36	-55.88
O=C(CN1C(=O)[N-]NC1=O)NCCCN(C(=O)C1=NSNC1=O)C1CC1	REAL300031783687	0	42	-1.0	-53.30	367.74	-0.65	-53.95
O=C(NCCCN(C(=O)C1=NSNC1=O)C1CC1)C1=CN([O-])C(=O)C=C1	REAL300031784278	0	42	-1.0	-67.56	365.20	3.77	-63.79
O=C(NCCCN(C(=O)C1=NSNC1=O)C1CC1)C1=CC(=O)NC([O-])=C1	REAL300031784392	0	42	-1.0	-49.36	365.66	-1.13	-50.49
O=C(NCCCN(C(=O)C1=NSNC1=O)C1CC1)C1=COC(=O)[N-]1	REAL300031784403	1	38	-1.0	-49.77	337.73	-1.29	-51.06
CCN1[N-]C(C(=O)NCCCN(C(=O)C2=NSNC2=O)C2CC2)=CC1=O	REAL300031784573	0	45	-1.0	-52.05	387.11	2.34	-49.71
O=C(CC1=CC(=O)N[N-]1)NCCCN(C(=O)C1=NSNC1=O)C1CC1	REAL300031784581	1	42	-1.0	-57.61	362.73	0.39	-57.22
O=C(NCCCN(C(=O)C1=NSNC1=O)C1CC1)C1=CC=CC(=S)N1[O-]	REAL300031784599	0	42	-1.0	-82.24	373.76	5.82	-76.42
O=C(CC1SC(=O)[N-]C1=O)NCCCN(C(=O)C1=NSNC1=O)C1CC1	REAL300031784608	0	42	-1.0	-48.92	376.34	-1.16	-50.08
CN1N=C(C(=O)NCCCN(C(=O)C2=NSNC2=O)C2CC2)[N-]C1=O	REAL300031784624	0	41	-1.0	-55.19	359.89	-0.09	-55.28
O=C(NCCCN(C(=O)C1=NSNC1=O)C1CC1)C1=C[N-]N=CC1=O	REAL300031784713	0	40	-1.0	-41.31	346.79	1.86	-39.45
O=C(NCCCN(C(=O)C1=NSNC1=O)C1CC1)C1=CC(=O)N[N-]1	REAL300031784812	0	39	-1.0	-48.38	342.06	-0.25	-48.63
C[PH](C)([O-])C(=O)C(=O)NCCCN(C(=O)C1=NSNC1=O)C1CC1	REAL300031784817	0	44	-1.0	-48.25	374.98	0.94	-47.31
O=C(NCCCN(C(=O)C1=NSNC1=O)C1CC1)C1=CC=CN([O-])C1=O	REAL300031784848	0	42	-1.0	-60.66	362.89	3.96	-56.70
CC1SC(C(=O)NCCCN(C(=O)C2=NSNC2=O)C2CC2)=NC1=O	REAL300031784876	0	41	-1.0	-55.29	368.60	-0.11	-55.40
CC1=C([O-])N=C(C(=O)NCCCN(C(=O)C2=NSNC2=O)C2CC2)S1	REAL300031784876	1	41	-1.0	-55.29	368.60	-0.11	-55.40
O=C(NCCCN(C(=O)C1=NSNC1=O)C1CC1)C1=CC(=O)C=C(Cl)N1	REAL300031784890	0	41	-1.0	-45.88	372.71	3.00	-42.88
O=C(NCCCN(C(=O)C1=NSNC1=O)C1CC1)C1=CC(=O)C=C(Cl)[N-]1	REAL300031784890	1	41	-1.0	-45.88	372.71	3.00	-42.88
O=C(NCCCN(C(=O)C1=NSNC1=O)C1CC1)C1=CC(=O)N([O-])C=C1	REAL300031784907	0	42	-1.0	-68.37	365.57	3.76	-64.61
O=C(NCCCN(C(=O)C1=NSNC1=O)C1CC1)C1=CC=CC(=O)N1[O-]	REAL300031784940	0	42	-1.0	-78.05	362.64	4.78	-73.27
O=C(C[N-]C(=O)C(F)(F)F)NCCCN(C(=O)C1=NSNC1=O)C1CC1	REAL300031785062	0	41	-1.0	-47.92	372.69	-0.41	-48.33
NC1=NC([O-])=C(CC(=O)NCCCN(C(=O)C2=NSNC2=O)C2CC2)S1	REAL300031785063	0	43	-1.0	-66.05	383.38	-1.19	-67.24
O=C(CC1=NC([O-])=CS1)NCCCN(C(=O)C1=NSNC1=O)C1CC1	REAL300031785108	0	41	-1.0	-67.93	369.08	-0.38	-68.31
CCC1=NC=C(C(=O)NCCCN(C(=O)C2=NSNC2=O)C2CC2)C(=O)[N-]1	REAL300031785126	1	46	-1.0	-46.91	387.78	2.24	-44.67
O=C(CN1N=CC(=O)[N-]C1=O)NCCCN(C(=O)C1=NSNC1=O)C1CC1	REAL300031785135	0	43	-1.0	-57.64	378.58	-1.82	-59.46
CC1=CC(=O)C(C(=O)NCCCN(C(=O)C2=NSNC2=O)C2CC2)=N[N-]1	REAL300031785337	0	43	-1.0	-50.40	371.28	3.50	-46.90
O=C(NCCCN(C(=O)C1=NSNC1=O)C1CC1)C1=NNC(=O)[N-]1	REAL300031785352	0	38	-1.0	-52.48	337.05	-1.76	-54.24
O=C(NCCCN(C(=O)C1=NSNC1=O)C1CC1)C1=CN=C(C=N[O-])S1	REAL300031785463	0	41	-1.0	-64.55	377.94	1.29	-63.26
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NC1=CC(=O)[N-]C(C(=O)N(CCCNC(=O)C2=NSNC2=O)C2CC2)=N1	REAL300031788091	0	42	-1.0	-60.73	360.96	-0.11	-60.84
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CC1=CC=NC(C(=O)N(CCCNC(=O)C2=NSNC2=O)C2CC2)=C1[O-]	REAL300031788206	1	44	-1.0	-62.24	373.60	4.25	-57.99
O=C(NCCCN(C(=O)C1=CN=CC([O-])=C1)C1CC1)C1=NSNC1=O	REAL300031788310	1	41	-1.0	-61.92	352.75	0.45	-61.47
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O=C(NCCCN(C(=O)C1=CC=C([O-])C(Cl)=N1)C1CC1)C1=NSNC1=O	REAL300031788427	0	41	-1.0	-51.13	368.51	2.44	-48.69
O=C(NCCCN(C(=O)C1=CC=C([O-])C=C1Cl)C1CC1)C1=NSNC1=O	REAL300031788465	1	42	-1.0	-58.20	373.27	2.97	-55.23
O=C(CC1=NC([O-])=CS1)N(CCCNC(=O)C1=NSNC1=O)C1CC1	REAL300031788476	0	41	-1.0	-71.68	373.40	-0.91	-72.59
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O=C(NCCCN(C(=O)C1=CC=C(F)C=C1[O-])C1CC1)C1=NSNC1=O	REAL300031788494	0	42	-1.0	-65.02	364.63	3.66	-61.36
CC1=CC=C(F)C([O-])=C1C(=O)N(CCCNC(=O)C1=NSNC1=O)C1CC1	REAL300031788524	0	45	-1.0	-64.09	391.73	3.46	-60.63
O=C(CC1SC(=O)[N-]C1=O)N(CCCNC(=O)C1=NSNC1=O)C1CC1	REAL300031788586	0	42	-1.0	-52.83	382.88	-1.63	-54.46
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CC1=CC(=O)C(C(=O)N(CCCNC(=O)C2=NSNC2=O)C2CC2)=N[N-]1	REAL300031788645	0	43	-1.0	-56.38	371.11	3.40	-52.98
O=C(NCCCN(C(=O)C1=CC=CC(=O)N1[O-])C1CC1)C1=NSNC1=O	REAL300031788670	0	42	-1.0	-67.65	363.20	2.56	-65.09
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CN1N=C(C(=O)N(CCCNC(=O)C2=NSNC2=O)C2CC2)[N-]C1=O	REAL300031788744	0	41	-1.0	-60.26	360.35	-0.10	-60.36
O=C(NCCCN(C(=O)C1=C(F)C=CC(O)=C1O)C1CC1)C1=NSNC1=O	REAL300031788793	0	43	-1.0	-59.32	386.36	0.73	-58.59
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O=C(NCCCN(C(=O)C1=CC=C(F)C(O)=C1)C1CC1)C1=NSNC1=O	REAL300031788936	0	42	-1.0	-61.58	364.65	2.50	-59.08
O=C(NCCCN(C(=O)C1=CC=C(F)C([O-])=C1)C1CC1)C1=NSNC1=O	REAL300031788936	1	42	-1.0	-61.58	364.65	2.50	-59.08
O=C(NCCCN(C(=O)C1=CC=C(Cl)C=C1O)C1CC1)C1=NSNC1=O	REAL300031788954	0	42	-1.0	-64.62	375.03	4.12	-60.50
O=C(NCCCN(C(=O)C1=CC=C(Cl)C=C1[O-])C1CC1)C1=NSNC1=O	REAL300031788954	1	42	-1.0	-64.62	375.03	4.12	-60.50
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O=C(NCCCN(C(=O)C1=NC(=O)NC(=O)[N-]1)C1CC1)C1=NSNC1=O	REAL300031789021	1	40	-1.0	-51.94	355.96	-1.45	-53.39
NC1=NC=C(C(=O)N(CCCNC(=O)C2=NSNC2=O)C2CC2)C(=O)N1	REAL300031789075	0	42	-1.0	-57.12	362.99	-0.67	-57.79
NC1=NC=C(C(=O)N(CCCNC(=O)C2=NSNC2=O)C2CC2)C(=O)[N-]1	REAL300031789075	1	42	-1.0	-57.12	362.99	-0.67	-57.79
O=C(NCCCN(C(=O)C1=NC=CC(Cl)=C1[O-])C1CC1)C1=NSNC1=O	REAL300031789159	0	41	-1.0	-59.19	369.61	4.05	-55.14
O=C(NCCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1)C1=NSNC1=O	REAL300031789212	0	38	-1.0	-60.55	337.98	-0.28	-60.83
CC1SC(C(=O)N(CCCNC(=O)C2=NSNC2=O)C2CC2)=NC1=O	REAL300031789234	0	41	-1.0	-61.67	369.74	0.80	-60.87
CC1=C([O-])N=C(C(=O)N(CCCNC(=O)C2=NSNC2=O)C2CC2)S1	REAL300031789234	1	41	-1.0	-61.67	369.74	0.80	-60.87
O=C(NCCCN(C(=O)C(=O)C1=CC=C(O)C=C1)C1CC1)C1=NSNC1=O	REAL300031789326	0	44	-1.0	-54.31	394.66	2.53	-51.78
O=C(NCCCN(C(=O)C(=O)C1=CC=C([O-])C=C1)C1CC1)C1=NSNC1=O	REAL300031789326	1	44	-1.0	-54.31	394.66	2.53	-51.78
O=C(NCCCN(C(=O)C1=CN=C(C=N[O-])S1)C1CC1)C1=NSNC1=O	REAL300031789345	0	41	-1.0	-70.92	372.02	0.28	-70.64
O=C(NCCCN(C(=O)C1=CC(=O)C=C(Cl)N1)C1CC1)C1=NSNC1=O	REAL300031789366	0	41	-1.0	-50.00	370.05	3.43	-46.57
O=C(NCCCN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CC1)C1=NSNC1=O	REAL300031789366	1	41	-1.0	-50.00	370.05	3.43	-46.57
O=C(NCCCN(C(=O)C1=CC(=O)NC([O-])=C1)C1CC1)C1=NSNC1=O	REAL300031789386	0	42	-1.0	-55.81	365.02	-1.92	-57.73
CCN1[N-]C(C(=O)N(CCCNC(=O)C2=NSNC2=O)C2CC2)=CC1=O	REAL300031789443	0	45	-1.0	-56.19	387.04	2.40	-53.79
CN1[N-]C(C(=O)N(CCCNC(=O)C2=NSNC2=O)C2CC2)=CC1=O	REAL300031789462	0	42	-1.0	-55.98	365.27	1.48	-54.50
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O=C(CC1=CC(=O)N[N-]1)N(CCCNC(=O)C1=NSNC1=O)C1CC1	REAL300031789599	1	42	-1.0	-61.87	367.55	-0.20	-62.07
O=C(NCCCN(C(=O)C1=CC=C(O)C(F)=C1)C1CC1)C1=NSNC1=O	REAL300031789604	0	42	-1.0	-61.31	364.60	2.53	-58.78
O=C(NCCCN(C(=O)C1=CC=C([O-])C(F)=C1)C1CC1)C1=NSNC1=O	REAL300031789604	1	42	-1.0	-61.31	364.60	2.53	-58.78
O=C(NCCCN(C(=O)C1=CC(F)=C([O-])C(F)=C1)C1CC1)C1=NSNC1=O	REAL300031789650	0	42	-1.0	-61.93	370.09	2.53	-59.40
O=C(NCCCN(C(=O)C1=CC=NC(Cl)=C1[O-])C1CC1)C1=NSNC1=O	REAL300031789655	0	41	-1.0	-63.09	368.31	2.32	-60.77
CC1=CN=C(C(=O)N(CCCNC(=O)C2=NSNC2=O)C2CC2)C(O)=C1	REAL300031789706	0	44	-1.0	-64.41	375.68	4.13	-60.28
CC1=CN=C(C(=O)N(CCCNC(=O)C2=NSNC2=O)C2CC2)C([O-])=C1	REAL300031789706	1	44	-1.0	-64.41	375.68	4.13	-60.28
O=C(NCCCN(C(=O)C1=CC([O-])=CS1)C1CC1)C1=NSNC1=O	REAL300031789727	0	39	-1.0	-68.02	345.64	1.08	-66.94
O=C(NCCCN(C(=O)C1=CN([O-])C(=O)C=C1)C1CC1)C1=NSNC1=O	REAL300031789743	0	42	-1.0	-70.96	364.90	3.00	-67.96
CN1[N-]C(C(=O)NCCCN(C(=O)C2=NSNC2=O)C2CC2)=CC1=O	REAL300031789895	0	42	-1.0	-50.74	364.87	1.46	-49.28
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CN(C(=O)C1=NNC(=O)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031791409	0	40	-1.0	-57.28	339.88	-1.72	-59.00
CN(C(=O)CN1C(=O)[N-]NC1=O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031791493	0	42	-1.0	-57.19	356.82	-0.31	-57.50
CN(C(=O)C1=CN([O-])C(=O)C=C1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031792084	0	42	-1.0	-66.12	358.54	4.03	-62.09
CN(C(=O)C1=CC(=O)NC([O-])=C1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031792198	0	42	-1.0	-50.29	358.29	-0.92	-51.21
CN(C(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031792209	1	38	-1.0	-51.27	323.56	0.44	-50.83
CCN1[N-]C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031792379	0	45	-1.0	-54.98	372.97	3.05	-51.93
CN(C(=O)CC1=CC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031792387	1	42	-1.0	-60.52	351.82	0.77	-59.75
CN(C(=O)C1=CC=CC(=S)N1[O-])C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031792405	0	42	-1.0	-81.73	362.96	5.14	-76.59
CN(C(=O)CC1SC(=O)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031792414	0	42	-1.0	-51.71	364.94	-0.72	-52.43
CN(C(=O)C1=NN(C)C(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031792430	0	41	-1.0	-58.04	346.37	0.51	-57.53
CN(C(=O)C1=C[N-]N=CC1=O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031792519	0	40	-1.0	-49.30	341.73	1.89	-47.41
CN(C(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031792618	0	39	-1.0	-51.58	328.40	0.37	-51.21
CN(C(=O)C(=O)[PH](C)(C)[O-])C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031792623	0	44	-1.0	-49.50	362.83	1.85	-47.65
CN(C(=O)C1=CC=CN([O-])C1=O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031792654	0	42	-1.0	-71.74	358.02	4.01	-67.73
CC1SC(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)CC2)=NC1=O	REAL300031792682	0	41	-1.0	-57.32	355.21	1.18	-56.14
CC1=C([O-])N=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)CC2)S1	REAL300031792682	1	41	-1.0	-57.32	355.21	1.18	-56.14
CN(C(=O)C1=CC(=O)C=C(Cl)N1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031792696	0	41	-1.0	-48.31	358.27	4.01	-44.30
CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031792696	1	41	-1.0	-48.31	358.27	4.01	-44.30
CN(C(=O)C1=CC(=O)N([O-])C=C1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031792713	0	42	-1.0	-70.39	350.20	3.81	-66.58
CN(C(=O)C1=CC=CC(=O)N1[O-])C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031792746	0	42	-1.0	-78.21	351.84	4.36	-73.85
CN(C(=O)CC1=C([O-])N=C(N)S1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031792869	0	43	-1.0	-71.01	372.49	-0.82	-71.83
CN(C(=O)CC1=NC([O-])=CS1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031792914	0	41	-1.0	-72.29	357.68	0.06	-72.23
CCC1=NC=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)N1	REAL300031792932	0	46	-1.0	-56.54	382.81	2.21	-54.33
CCC1=NC=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031792932	1	46	-1.0	-56.54	382.81	2.21	-54.33
CC1=CC(=O)C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300031793143	0	43	-1.0	-54.48	357.12	4.15	-50.33
CN(C(=O)C1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031793158	0	38	-1.0	-55.29	323.60	-1.16	-56.45
CN(C(=O)C1=CN=C(C=N[O-])S1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031793269	0	41	-1.0	-67.84	361.59	1.25	-66.59
COC1=NC(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)CC2)=CC(=O)[N-]1	REAL300031793282	0	44	-1.0	-56.69	367.42	-0.95	-57.64
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300031793538	1	41	-1.0	-63.80	340.91	4.11	-59.69
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1	REAL300031793661	0	40	-1.0	-56.34	340.24	-1.72	-58.06
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CN2C(=O)[N-]NC2=O)CC1	REAL300031793821	0	42	-1.0	-57.27	357.29	-0.22	-57.49
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC1	REAL300031795140	1	42	-1.0	-58.32	364.80	4.29	-54.03
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)CC1	REAL300031795165	1	43	-1.0	-54.26	367.20	3.75	-50.51
CCC1=NC=C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031795248	1	46	-1.0	-55.22	378.05	2.21	-53.01
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300031795266	1	38	-1.0	-51.14	323.57	0.56	-50.58
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C[N-]C(=O)C(F)(F)F)CC1	REAL300031795333	0	41	-1.0	-51.08	361.78	0.06	-51.02
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=C([O-])N=C(N)S2)CC1	REAL300031795334	0	43	-1.0	-68.10	372.95	-0.72	-68.82
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(F)C=C([O-])C=C2F)CC1	REAL300031795343	0	42	-1.0	-50.57	365.37	3.68	-46.89
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C=C2F)CC1	REAL300031795358	1	42	-1.0	-55.02	352.38	3.47	-51.55
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1	REAL300031795364	0	41	-1.0	-52.88	349.10	2.72	-50.16
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)CC1	REAL300031795371	1	43	-1.0	-53.14	367.89	3.82	-49.32
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])CC1	REAL300031795374	0	41	-1.0	-56.39	356.39	3.27	-53.12
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CN2N=CC(=O)[N-]C2=O)CC1	REAL300031795390	0	43	-1.0	-60.99	367.24	-1.31	-62.30
CC1=CC=C([O-])C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)CC2)=N1	REAL300031795450	1	44	-1.0	-64.29	362.22	4.68	-59.61
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300031795468	0	40	-1.0	-46.49	333.92	1.85	-44.64
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1	REAL300031795477	0	42	-1.0	-68.38	350.64	4.75	-63.63
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC([O-])=C2F)CC1	REAL300031795563	1	42	-1.0	-65.93	350.95	3.42	-62.51
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300031795661	0	39	-1.0	-51.31	327.86	0.51	-50.80
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C(=O)[PH](C)(C)[O-])CC1	REAL300031795667	0	44	-1.0	-49.32	362.15	1.39	-47.93
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1	REAL300031795754	0	42	-1.0	-67.41	353.92	3.94	-63.47
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NNC(=O)[N-]2)CC1	REAL300031795778	0	38	-1.0	-54.88	322.56	-0.99	-55.87
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(O)C=CC=C2Cl)CC1	REAL300031795781	0	42	-1.0	-60.25	368.27	4.07	-56.18
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C([O-])C=CC=C2Cl)CC1	REAL300031795781	1	42	-1.0	-60.25	368.27	4.07	-56.18
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1	REAL300031795785	0	42	-1.0	-70.10	353.39	3.94	-66.16
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(F)C=CC(O)=C2F)CC1	REAL300031795814	0	42	-1.0	-55.10	365.16	3.65	-51.45
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(F)C=CC([O-])=C2F)CC1	REAL300031795814	1	42	-1.0	-55.10	365.16	3.65	-51.45
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(F)=CC=C2O)CC1	REAL300031795949	0	42	-1.0	-57.84	354.49	3.85	-53.99
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300031795949	1	42	-1.0	-57.84	354.49	3.85	-53.99
CC1=CC=NC(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)CC2)=C1[O-]	REAL300031796012	1	44	-1.0	-63.44	361.09	4.83	-58.61
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300031796116	1	41	-1.0	-52.90	341.32	1.59	-51.31
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC(=S)N2[O-])CC1	REAL300031796126	0	42	-1.0	-84.77	360.93	5.70	-79.07
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC1	REAL300031796233	0	41	-1.0	-48.98	359.51	2.92	-46.06
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C=C2Cl)CC1	REAL300031796271	1	42	-1.0	-53.88	360.71	3.89	-49.99
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=NC([O-])=CS2)CC1	REAL300031796282	0	41	-1.0	-70.54	358.13	0.14	-70.40
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C([O-])C=CC=C2F)CC1	REAL300031796297	0	42	-1.0	-60.90	358.77	3.68	-57.22
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)CC1	REAL300031796299	0	44	-1.0	-58.43	373.40	0.77	-57.66
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(F)C=C2[O-])CC1	REAL300031796300	0	42	-1.0	-61.81	352.12	4.69	-57.12
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC(N(C)C(=O)C2=NSNC2=O)CC1	REAL300031796330	0	45	-1.0	-67.66	378.27	4.25	-63.41
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2SC(=O)[N-]C2=O)CC1	REAL300031796392	0	42	-1.0	-51.65	365.64	-0.60	-52.25
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)CC1	REAL300031796417	0	42	-1.0	-56.99	357.18	3.48	-53.51
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])CC1	REAL300031796423	0	42	-1.0	-63.12	360.45	5.22	-57.90
CC1=CC(=O)C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300031796451	0	43	-1.0	-54.62	357.39	4.15	-50.47
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1	REAL300031796476	0	42	-1.0	-81.37	349.82	4.72	-76.65
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)CC1	REAL300031796504	0	42	-1.0	-50.84	362.53	1.72	-49.12
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1	REAL300031796550	0	41	-1.0	-57.52	345.74	0.62	-56.90
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(F)C=CC(O)=C2O)CC1	REAL300031796599	0	43	-1.0	-58.26	369.53	1.76	-56.50
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC1	REAL300031796599	1	43	-1.0	-58.26	369.53	1.76	-56.50
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(C#N)=CC=C2[O-])CC1	REAL300031796608	0	43	-1.0	-55.14	370.01	4.29	-50.85
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1	REAL300031796691	0	42	-1.0	-54.55	358.66	1.38	-53.17
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(F)C(O)=C2)CC1	REAL300031796742	0	42	-1.0	-56.73	353.93	3.43	-53.30
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1	REAL300031796742	1	42	-1.0	-56.73	353.93	3.43	-53.30
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(Cl)C=C2O)CC1	REAL300031796760	0	42	-1.0	-61.58	362.44	5.14	-56.44
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])CC1	REAL300031796760	1	42	-1.0	-61.58	362.44	5.14	-56.44
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1	REAL300031796827	0	40	-1.0	-55.09	343.15	-2.31	-57.40
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1	REAL300031796827	1	40	-1.0	-47.45	342.75	-1.30	-48.75
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=C(N)[N-]C2=O)CC1	REAL300031796881	1	42	-1.0	-55.68	351.22	0.57	-55.11
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)CC1	REAL300031796914	0	42	-1.0	-64.54	359.24	3.52	-61.02
COC1=NC(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)CC2)=CC(=O)[N-]1	REAL300031796956	0	44	-1.0	-55.34	367.22	-0.96	-56.30
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])CC1	REAL300031796965	0	41	-1.0	-59.96	356.96	4.64	-55.32
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)CC1	REAL300031797003	0	42	-1.0	-53.00	363.73	3.92	-49.08
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=NC=C2[O-])CC1	REAL300031797012	0	41	-1.0	-61.43	341.69	2.61	-58.82
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300031797018	0	38	-1.0	-55.75	322.81	0.47	-55.28
CC1=C([O-])N=C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)CC2)S1	REAL300031797040	1	41	-1.0	-56.41	355.10	1.25	-55.16
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC1	REAL300031797132	1	44	-1.0	-54.45	366.33	3.48	-50.97
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=C(C=N[O-])S2)CC1	REAL300031797151	0	41	-1.0	-65.21	363.92	1.49	-63.72
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1	REAL300031797172	1	41	-1.0	-48.08	358.69	3.97	-44.11
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1	REAL300031797192	0	42	-1.0	-50.33	353.77	-0.93	-51.26
CCN1[N-]C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031797249	0	45	-1.0	-54.15	372.71	3.09	-51.06
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1	REAL300031797268	0	42	-1.0	-53.85	350.67	2.21	-51.64
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300031797278	0	42	-1.0	-56.32	368.60	0.12	-56.20
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=CC(=O)N[N-]2)CC1	REAL300031797405	1	42	-1.0	-60.56	352.28	0.86	-59.70
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300031797410	1	42	-1.0	-56.05	353.89	3.47	-52.58
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC1	REAL300031797456	0	42	-1.0	-56.38	359.72	3.56	-52.82
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])CC1	REAL300031797461	0	41	-1.0	-60.76	355.70	3.29	-57.47
CC1=C(CC(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)CC2)C(=O)N(C)[N-]1	REAL300031797476	0	48	-1.0	-63.07	395.16	3.26	-59.81
CC1=CN=C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)CC2)C([O-])=C1	REAL300031797512	1	44	-1.0	-65.07	362.45	4.73	-60.34
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC([O-])=CS2)CC1	REAL300031797533	0	39	-1.0	-59.72	339.42	2.48	-57.24
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1	REAL300031797549	0	42	-1.0	-67.08	353.23	3.96	-63.12
CN(C(=O)C1=CC(=O)N(C)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031797701	0	42	-1.0	-54.29	351.24	2.12	-52.17
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031797708	0	42	-1.0	-56.37	368.14	0.00	-56.37
CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031797857	0	40	-1.0	-54.15	341.49	-1.93	-56.08
CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031797857	1	40	-1.0	-48.01	342.04	-1.16	-49.17
CN(C(=O)CN1[N-]C(=O)C=CC1=O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031797996	0	44	-1.0	-57.84	372.93	0.67	-57.17
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031798003	0	38	-1.0	-56.09	323.40	0.52	-55.57
CN(C(=O)C1=CN([O-])C(=O)NC1=O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031798014	0	42	-1.0	-55.17	363.12	1.42	-53.75
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300031798528	1	44	-1.0	-59.25	373.72	1.45	-57.80
O=C(CCCN1C(=O)[N-]NC1=O)NC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031799167	0	45	-1.0	-71.03	385.59	-0.87	-71.90
O=C(CCC1=NNC(=O)[N-]C1=O)NC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031799383	0	43	-1.0	-67.31	373.28	-3.60	-70.91
CC(=O)[N-]C1=NC(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)=CS1	REAL300031799384	1	41	-1.0	-55.62	368.22	-0.25	-55.87
O=C(CCN1C=C[N-]C(=O)C1=O)NC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031799542	1	44	-1.0	-70.17	379.02	0.54	-69.63
COC1=C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031799651	1	42	-1.0	-65.05	362.11	-2.47	-67.52
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300031799765	0	37	-1.0	-67.58	328.68	-3.77	-71.35
O=C(CN1C(=O)[N-]NC1=O)NC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031799882	0	39	-1.0	-72.88	343.06	-2.06	-74.94
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=C(Cl)C(=O)[N-]S1	REAL300031802008	0	35	-1.0	-61.96	334.68	-0.38	-62.34
COCC1=NC=C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300031802115	0	44	-1.0	-59.42	375.38	-0.88	-60.30
COCC1=NC=C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031802115	1	44	-1.0	-59.42	375.38	-0.88	-60.30
CC1=CC(=O)C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031802216	0	40	-1.0	-67.52	346.10	2.13	-65.39
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)N[N-]1	REAL300031802235	0	35	-1.0	-59.23	311.71	-2.98	-62.21
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300031802260	0	40	-1.0	-60.29	354.57	1.38	-58.91
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300031802260	1	40	-1.0	-60.29	354.57	1.38	-58.91
O=C(NC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300031802398	0	38	-1.0	-73.17	352.49	-0.09	-73.26
O=C(NC1CCCN(C(=O)C2=NC=CC=C2O)C1)C1=NSNC1=O	REAL300031802677	0	38	-1.0	-72.02	329.28	2.01	-70.01
O=C(NC1CCCN(C(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300031802677	1	38	-1.0	-72.02	329.28	2.01	-70.01
O=C(CCN1C=CNC(=O)C1=O)N1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031802797	0	44	-1.0	-68.04	381.81	0.35	-67.69
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031802797	1	44	-1.0	-68.04	381.81	0.35	-67.69
CC(=O)NC1=NC(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)=CS1	REAL300031802809	0	41	-1.0	-54.33	367.17	0.16	-54.17
CC(=O)[N-]C1=NC(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)=CS1	REAL300031802809	1	41	-1.0	-54.33	367.17	0.16	-54.17
O=C(NC1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300031802841	0	37	-1.0	-68.86	329.91	-4.02	-72.88
COC1=C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)NC(=O)NC1=O	REAL300031802895	0	42	-1.0	-62.04	371.42	-4.10	-66.14
COC1=C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031802895	1	42	-1.0	-62.04	371.42	-4.10	-66.14
O=C(CN1C(=O)[N-]NC1=O)N1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031803064	0	39	-1.0	-70.72	345.84	-2.30	-73.02
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031804054	0	45	-1.0	-61.65	388.34	-1.08	-62.73
O=C(NC1CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300031804261	1	44	-1.0	-65.32	376.91	0.71	-64.61
COCC1=NC=C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031805960	1	44	-1.0	-65.02	378.78	-1.64	-66.66
O=C(NC1CCCN(C(=O)C2=CC(F)=CC(F)=C2[O-])C1)C1=NSNC1=O	REAL300031805990	0	39	-1.0	-76.36	349.70	1.84	-74.52
O=C(NC1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=NSNC1=O	REAL300031806020	0	39	-1.0	-74.05	348.00	2.07	-71.98
O=C(NC1CCCN(C(=O)C2=NC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300031806055	0	35	-1.0	-57.72	311.69	-2.25	-59.97
O=C(NC1CCCN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=NSNC1=O	REAL300031806060	1	39	-1.0	-73.50	356.85	1.97	-71.53
O=C(NC1CCCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=NSNC1=O	REAL300031806068	0	39	-1.0	-73.50	341.00	1.82	-71.68
O=C(NC1CCCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=NSNC1=O	REAL300031806105	1	39	-1.0	-68.49	353.74	1.56	-66.93
NC1=CC(=O)[N-]C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)=N1	REAL300031806223	0	39	-1.0	-71.34	345.17	-2.88	-74.22
O=C(NC1CCCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1)C1=NSNC1=O	REAL300031806293	0	39	-1.0	-60.80	353.61	1.90	-58.90
O=C(NC1CCCN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=NSNC1=O	REAL300031806300	1	39	-1.0	-75.62	343.53	1.75	-73.87
CC1=CC=NC(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300031806392	1	41	-1.0	-78.46	349.57	2.71	-75.75
O=C(NC1CCCN(C(=O)C2=CN=CC([O-])=C2)C1)C1=NSNC1=O	REAL300031806563	1	38	-1.0	-59.20	332.56	-0.43	-59.63
O=C(NC1CCCN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=NSNC1=O	REAL300031806576	0	39	-1.0	-95.89	357.87	2.44	-93.45
NC1=CC(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)=CC([O-])=C1Cl	REAL300031806732	1	41	-1.0	-60.38	366.35	-0.16	-60.54
O=C(NC1CCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=NSNC1=O	REAL300031806737	0	38	-1.0	-55.08	348.12	0.83	-54.25
O=C(NC1CCCN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=NSNC1=O	REAL300031806799	1	39	-1.0	-63.94	352.45	1.84	-62.10
N#CC1=CC(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)=C([O-])C=C1N	REAL300031806802	0	42	-1.0	-73.83	370.91	-0.08	-73.91
O=C(CC1=NC([O-])=CS1)N1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031806814	0	38	-1.0	-81.92	346.69	-1.94	-83.86
O=C(NC1CCCN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=NSNC1=O	REAL300031806836	0	39	-1.0	-70.46	347.35	1.59	-68.87
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031806839	0	41	-1.0	-71.98	361.96	-1.32	-73.30
O=C(NC1CCCN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=NSNC1=O	REAL300031806841	0	39	-1.0	-79.67	343.52	1.74	-77.93
CC1=CC=C(F)C([O-])=C1C(=O)N1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031806889	0	42	-1.0	-80.26	366.81	2.15	-78.11
O=C(NC1CCCN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1)C1=NSNC1=O	REAL300031808002	1	45	-1.0	-80.83	386.31	3.73	-77.10
O=C(NC1CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1)C1=NSNC1=O	REAL300031808022	1	45	-1.0	-85.32	382.15	4.11	-81.21
O=C(NC1CCCN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1)C1=NSNC1=O	REAL300031808030	1	45	-1.0	-88.54	383.25	3.98	-84.56
O=C(NC1CCCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=NSNC1=O	REAL300031808080	1	41	-1.0	-61.42	363.57	1.34	-60.08
O=C(NC1CCCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=NSNC1=O	REAL300031808117	0	38	-1.0	-73.16	353.37	-0.58	-73.74
O=C(NC1CCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=NSNC1=O	REAL300031808152	1	38	-1.0	-58.26	349.26	1.76	-56.50
CSC1=NC=C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031808178	1	41	-1.0	-64.51	367.28	-0.35	-64.86
O=C(NC1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=NSNC1=O	REAL300031808186	0	39	-1.0	-58.87	348.10	-2.85	-61.72
CCN1[N-]C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031808268	0	42	-1.0	-64.65	361.42	1.02	-63.63
CN1[N-]C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031808290	0	39	-1.0	-63.67	339.61	0.08	-63.59
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031808307	0	39	-1.0	-64.60	357.12	-1.98	-66.58
CC1=C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300031808309	1	41	-1.0	-81.50	369.40	-0.72	-82.22
O=C(NC1CCCN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1)C1=NSNC1=O	REAL300031808380	1	44	-1.0	-69.73	380.97	1.83	-67.90
O=C(CC1=CC(=O)N[N-]1)N1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300031808485	1	39	-1.0	-73.12	340.84	-1.22	-74.34
O=C(NC1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300031808491	1	39	-1.0	-63.82	343.85	1.41	-62.41
O=C(NC1CCCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300031808553	0	39	-1.0	-69.03	349.43	1.48	-67.55
O=C(NC1CCCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300031808559	0	38	-1.0	-77.21	348.38	0.21	-77.00
CC1=C(CC(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300031808579	0	45	-1.0	-77.30	383.71	1.18	-76.12
CC1=CN=C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300031808628	1	41	-1.0	-81.44	353.28	2.09	-79.35
O=C(NC1CCCN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300031808642	0	40	-1.0	-71.82	367.83	-0.72	-72.54
O=C(NC1CCCN(C(=O)C2=CC([O-])=CS2)C1)C1=NSNC1=O	REAL300031808662	0	36	-1.0	-72.70	327.36	0.25	-72.45
O=C(NC1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=NSNC1=O	REAL300031808684	0	39	-1.0	-79.52	341.38	1.82	-77.70
CN1[N-]C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031808919	0	39	-1.0	-64.01	339.93	0.02	-63.99
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031808931	0	39	-1.0	-66.52	354.36	-1.83	-68.35
CC1=C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300031808932	1	41	-1.0	-75.05	368.66	-0.66	-75.71
O=C(NCCCN1CCN(C(=O)C2=NSNC2=O)CC1)C1=COC(=O)[N-]1	REAL300031810165	1	43	-1.0	-51.11	368.65	-3.61	-54.72
CN1N=C(C(=O)NCCCN2CCN(C(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300031810249	0	46	-1.0	-60.05	390.76	-2.42	-62.47
O=C(NCCCN1CCN(C(=O)C2=NSNC2=O)CC1)C1=C[N-]N=CC1=O	REAL300031810277	0	45	-1.0	-46.24	377.73	-0.47	-46.71
O=C(NCCCN1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)N[N-]1	REAL300031810311	0	44	-1.0	-53.77	373.51	-2.63	-56.40
O=C(NCCCN1CCN(C(=O)C2=NSNC2=O)CC1)C1=NC(=O)N[N-]1	REAL300031810472	0	43	-1.0	-51.15	368.07	-3.91	-55.06
O=C(NCCCN1CCN(C(=O)C2=NC=CC=C2[O-])CC1)C1=NSNC1=O	REAL300031810762	1	46	-1.0	-67.11	388.19	0.58	-66.53
O=C(NCCCN1CCN(C(=O)C2=COC(=O)[N-]2)CC1)C1=NSNC1=O	REAL300031811225	1	43	-1.0	-51.28	368.77	-2.49	-53.77
O=C(NCCCN1CCN(C(=O)C2=C[N-]N=CC2=O)CC1)C1=NSNC1=O	REAL300031811292	0	45	-1.0	-47.31	378.95	-1.26	-48.57
O=C(NCCCN1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C1=NSNC1=O	REAL300031811349	0	44	-1.0	-53.28	373.28	-2.57	-55.85
O=C(NCCCN1CCN(C(=O)C2=NC(=O)N[N-]2)CC1)C1=NSNC1=O	REAL300031811381	0	43	-1.0	-52.24	368.08	-3.17	-55.41
CN1N=C(C(=O)N2CCN(CCCNC(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300031811584	0	46	-1.0	-60.49	390.77	-2.40	-62.89
O=C(NCCCN1CCN(C(=O)C2=CC=NC=C2[O-])CC1)C1=NSNC1=O	REAL300031811702	0	46	-1.0	-66.71	388.16	-0.68	-67.39
O=C(NCCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NSNC1=O	REAL300031811704	0	43	-1.0	-57.15	367.45	-2.64	-59.79
CN1[N-]C(C(=O)N2CCN(CCCNC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031811784	0	47	-1.0	-56.03	396.09	-0.88	-56.91
O=C(NCCCN1CCN(C(=O)C2=CC([O-])=CS2)CC1)C1=NSNC1=O	REAL300031811868	0	44	-1.0	-64.36	383.72	-0.72	-65.08
CN1[N-]C(C(=O)NCCCN2CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031811925	0	47	-1.0	-56.45	396.32	-0.92	-57.37
O=C(NCCCN1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)[N-]O1	REAL300031812027	0	43	-1.0	-58.33	368.25	-2.14	-60.47
O=C(NCCN1CCN(C(=O)C2=NSNC2=O)CC1)C1=NNC(=O)[N-]C1=O	REAL300031812755	0	42	-1.0	-59.39	363.57	-5.48	-64.87
O=C(CN1C(=O)[N-]NC1=O)NCCN1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031812803	0	44	-1.0	-57.40	377.65	-3.82	-61.22
O=C(NCCN1CCN(C(=O)C2=NSNC2=O)CC1)C1=CN([O-])C(=O)C=C1	REAL300031813143	0	44	-1.0	-70.12	374.62	0.67	-69.45
O=C(NCCN1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)NC([O-])=C1	REAL300031813218	0	44	-1.0	-53.27	375.11	-4.23	-57.50
O=C(NCCN1CCN(C(=O)C2=NSNC2=O)CC1)C1=COC(=O)[N-]1	REAL300031813229	1	40	-1.0	-52.62	347.18	-4.40	-57.02
CCN1[N-]C(C(=O)NCCN2CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031813334	0	47	-1.0	-57.14	396.56	-0.76	-57.90
CN1N=C(C(=O)NCCN2CCN(C(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300031813360	0	43	-1.0	-60.36	369.34	-3.20	-63.56
O=C(NCCN1CCN(C(=O)C2=NSNC2=O)CC1)C1=C[N-]N=CC1=O	REAL300031813412	0	42	-1.0	-45.32	356.23	-1.25	-46.57
O=C(NCCN1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)N[N-]1	REAL300031813470	0	41	-1.0	-53.63	352.01	-3.40	-57.03
C[PH](C)([O-])C(=O)C(=O)NCCN1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031813475	0	46	-1.0	-49.35	389.43	-2.26	-51.61
O=C(CCC1=NNC(=O)[N-]1)NCCN1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031813493	0	46	-1.0	-59.28	388.03	-3.21	-62.49
O=C(NCCN1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=CN([O-])C1=O	REAL300031813495	0	44	-1.0	-61.42	372.66	0.85	-60.57
CC1SC(C(=O)NCCN2CCN(C(=O)C3=NSNC3=O)CC2)=NC1=O	REAL300031813514	0	43	-1.0	-58.40	378.55	-3.27	-61.67
CC1=C([O-])N=C(C(=O)NCCN2CCN(C(=O)C3=NSNC3=O)CC2)S1	REAL300031813514	1	43	-1.0	-58.40	378.55	-3.27	-61.67
O=C(NCCN1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)N([O-])C=C1	REAL300031813528	0	44	-1.0	-73.45	375.02	0.66	-72.79
O=C(NCCN1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=CC(=O)N1[O-]	REAL300031813549	0	44	-1.0	-88.15	372.09	1.67	-86.48
O=C(CC1=NC([O-])=CS1)NCCN1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031813650	0	43	-1.0	-76.43	378.52	-3.49	-79.92
CC1=CC(=O)C(C(=O)NCCN2CCN(C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300031813788	0	45	-1.0	-56.88	380.73	0.39	-56.49
O=C(NCCN1CCN(C(=O)C2=NSNC2=O)CC1)C1=NC(=O)N[N-]1	REAL300031813798	0	40	-1.0	-52.67	346.60	-4.70	-57.37
O=C(NCCN1CCN(C(=O)C2=NC=CC=C2[O-])CC1)C1=NSNC1=O	REAL300031814132	1	43	-1.0	-67.43	366.69	-0.21	-67.64
O=C(NCCN1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1)C1=NSNC1=O	REAL300031814221	0	42	-1.0	-59.12	364.80	-5.70	-64.82
O=C(CN1C(=O)[N-]NC1=O)N1CCN(CCNC(=O)C2=NSNC2=O)CC1	REAL300031814307	0	44	-1.0	-59.59	380.85	-4.06	-63.65
O=C(NCCN1CCN(C(=O)C2=COC(=O)[N-]2)CC1)C1=NSNC1=O	REAL300031815091	1	40	-1.0	-55.00	347.27	-3.27	-58.27
O=C(NCCN1CCN(C(=O)C2=CC=C([O-])C=C2F)CC1)C1=NSNC1=O	REAL300031815153	1	44	-1.0	-58.22	379.85	-0.28	-58.50
O=C(NCCN1CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1)C1=NSNC1=O	REAL300031815156	0	43	-1.0	-56.55	374.47	-0.96	-57.51
O=C(NCCN1CCN(C(=O)C2=C[N-]N=CC2=O)CC1)C1=NSNC1=O	REAL300031815213	0	42	-1.0	-47.85	357.58	-1.92	-49.77
O=C(NCCN1CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1)C1=NSNC1=O	REAL300031815220	0	44	-1.0	-70.08	378.08	0.09	-69.99
O=C(NCCN1CCN(C(=O)C2=CC=CC([O-])=C2F)CC1)C1=NSNC1=O	REAL300031815275	1	44	-1.0	-67.62	378.35	-0.34	-67.96
O=C(NCCN1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C1=NSNC1=O	REAL300031815339	0	41	-1.0	-54.42	351.79	-3.35	-57.77
C[PH](C)([O-])C(=O)C(=O)N1CCN(CCNC(=O)C2=NSNC2=O)CC1	REAL300031815344	0	46	-1.0	-54.09	391.21	-2.39	-56.48
O=C(NCCN1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1)C1=NSNC1=O	REAL300031815389	0	44	-1.0	-69.49	378.71	0.03	-69.46
O=C(NCCN1CCN(C(=O)C2=NC(=O)N[N-]2)CC1)C1=NSNC1=O	REAL300031815403	0	40	-1.0	-51.14	346.58	-3.95	-55.09
O=C(NCCN1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1)C1=NSNC1=O	REAL300031815407	0	44	-1.0	-77.63	382.05	0.27	-77.36
O=C(NCCN1CCN(C(=O)C2=CC(F)=CC=C2O)CC1)C1=NSNC1=O	REAL300031815503	0	44	-1.0	-62.65	378.02	0.55	-62.10
O=C(NCCN1CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1)C1=NSNC1=O	REAL300031815503	1	44	-1.0	-62.65	378.02	0.55	-62.10
CC1=CC=NC(C(=O)N2CCN(CCNC(=O)C3=NSNC3=O)CC2)=C1O	REAL300031815544	0	46	-1.0	-67.15	387.00	0.48	-66.67
CC1=CC=NC(C(=O)N2CCN(CCNC(=O)C3=NSNC3=O)CC2)=C1[O-]	REAL300031815544	1	46	-1.0	-67.15	387.00	0.48	-66.67
O=C(CC1=NC([O-])=CS1)N1CCN(CCNC(=O)C2=NSNC2=O)CC1	REAL300031815677	0	43	-1.0	-72.46	381.74	-3.65	-76.11
CC1=CC(=O)C(C(=O)N2CCN(CCNC(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300031815772	0	45	-1.0	-57.64	381.95	0.17	-57.47
O=C(NCCN1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1)C1=NSNC1=O	REAL300031815787	0	44	-1.0	-71.19	374.88	0.36	-70.83
CN1N=C(C(=O)N2CCN(CCNC(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300031815829	0	43	-1.0	-60.19	369.27	-3.18	-63.37
O=C(NCCN1CCN(C(=O)C2=CC=C(F)C(O)=C2)CC1)C1=NSNC1=O	REAL300031815942	0	44	-1.0	-66.58	375.49	-0.60	-67.18
O=C(NCCN1CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1)C1=NSNC1=O	REAL300031815942	1	44	-1.0	-66.58	375.49	-0.60	-67.18
O=C(NCCN1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1)C1=NSNC1=O	REAL300031815987	0	42	-1.0	-48.88	366.06	-5.07	-53.95
O=C(NCCN1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1)C1=NSNC1=O	REAL300031815987	1	42	-1.0	-48.88	366.06	-5.07	-53.95
NC1=NC=C(C(=O)N2CCN(CCNC(=O)C3=NSNC3=O)CC2)C(=O)N1	REAL300031816021	0	44	-1.0	-62.42	380.21	-3.18	-65.60
NC1=NC=C(C(=O)N2CCN(CCNC(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031816021	1	44	-1.0	-62.42	380.21	-3.18	-65.60
O=C(NCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NSNC1=O	REAL300031816101	0	40	-1.0	-59.85	345.95	-3.42	-63.27
CC1SC(C(=O)N2CCN(CCNC(=O)C3=NSNC3=O)CC2)=NC1=O	REAL300031816116	0	43	-1.0	-60.74	378.53	-2.55	-63.29
CC1=C([O-])N=C(C(=O)N2CCN(CCNC(=O)C3=NSNC3=O)CC2)S1	REAL300031816116	1	43	-1.0	-60.74	378.53	-2.55	-63.29
O=C(NCCN1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1)C1=NSNC1=O	REAL300031816207	0	44	-1.0	-52.04	381.63	-4.79	-56.83
CCN1[N-]C(C(=O)N2CCN(CCNC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031816245	0	47	-1.0	-56.86	396.34	-0.71	-57.57
CN1[N-]C(C(=O)N2CCN(CCNC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031816261	0	44	-1.0	-56.95	374.59	-1.65	-58.60
O=C(NCCN1CCN(C(=O)C2=CC=C(O)C(F)=C2)CC1)C1=NSNC1=O	REAL300031816341	0	44	-1.0	-61.05	375.44	-0.57	-61.62
O=C(NCCN1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1)C1=NSNC1=O	REAL300031816341	1	44	-1.0	-61.05	375.44	-0.57	-61.62
CC1=CN=C(C(=O)N2CCN(CCNC(=O)C3=NSNC3=O)CC2)C(O)=C1	REAL300031816396	0	46	-1.0	-68.78	388.12	0.42	-68.36
CC1=CN=C(C(=O)N2CCN(CCNC(=O)C3=NSNC3=O)CC2)C([O-])=C1	REAL300031816396	1	46	-1.0	-68.78	388.12	0.42	-68.36
O=C(NCCN1CCN(C(=O)C2=CC([O-])=CS2)CC1)C1=NSNC1=O	REAL300031816408	0	41	-1.0	-64.77	361.23	-1.57	-66.34
O=C(NCCN1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1)C1=NSNC1=O	REAL300031816419	0	44	-1.0	-65.73	381.34	0.13	-65.60
CN1[N-]C(C(=O)NCCN2CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031816510	0	44	-1.0	-53.58	374.80	-1.70	-55.28
O=C(NCCN1CCN(C(=O)C2=NSNC2=O)CC1)C1=NC(=O)[N-]C(=O)N1	REAL300031816594	0	42	-1.0	-54.69	365.10	-6.46	-61.15
O=C(NCCN1CCN(C(=O)C2=NSNC2=O)CC1)C1=NC(=O)NC(=O)[N-]1	REAL300031816594	1	42	-1.0	-49.94	365.78	-5.71	-55.65
O=C(NCCN1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)[N-]O1	REAL300031816693	0	40	-1.0	-55.77	346.72	-2.92	-58.69
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300031817231	1	41	-1.0	-54.33	359.60	0.68	-53.65
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031817537	0	41	-1.0	-50.05	364.81	-0.87	-50.92
O=C(CCCN1C(=O)[N-]NC1=O)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031818087	0	42	-1.0	-65.79	371.48	-1.60	-67.39
CC(C)CN1[N-]C(CC(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031818283	0	48	-1.0	-72.01	405.88	2.16	-69.85
O=C(CCC1=NNC(=O)[N-]C1=O)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031818377	0	40	-1.0	-62.30	358.45	-4.24	-66.54
CC(=O)[N-]C1=NC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)=CS1	REAL300031818378	1	38	-1.0	-52.61	353.43	-0.84	-53.45
O=C(CCN1C=C[N-]C(=O)C1=O)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031818592	1	41	-1.0	-66.67	365.00	-0.22	-66.89
COC1=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031818737	1	39	-1.0	-61.80	348.62	-3.16	-64.96
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300031818888	0	34	-1.0	-63.33	314.85	-4.48	-67.81
O=C(CN1C(=O)[N-]NC1=O)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031819029	0	36	-1.0	-66.36	328.95	-2.80	-69.16
CC1=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C(C)C)=N1	REAL300031819072	1	46	-1.0	-54.21	385.68	1.14	-53.07
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031819209	0	40	-1.0	-69.61	362.45	0.07	-69.54
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300031821029	0	33	-1.0	-57.22	303.30	-2.42	-59.64
C[PH](C)([O-])C(=O)C(=O)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031821034	0	38	-1.0	-55.70	335.52	-1.01	-56.71
CN1[N-]C(CC(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031821037	0	39	-1.0	-71.60	346.73	-0.04	-71.64
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=CN([O-])C1=O	REAL300031821088	0	36	-1.0	-64.16	323.60	1.81	-62.35
CSC1=NC=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031821114	1	38	-1.0	-53.69	349.75	-0.38	-54.07
CC1=C([O-])N=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)S1	REAL300031821142	1	35	-1.0	-61.04	329.84	-2.29	-63.33
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300031821166	1	35	-1.0	-54.07	333.45	0.88	-53.19
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N([O-])C=C1	REAL300031821194	0	36	-1.0	-77.76	326.37	1.65	-76.11
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300031821269	0	36	-1.0	-93.46	323.38	2.66	-90.80
O=C(C[N-]C(=O)C(F)(F)F)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031821487	0	35	-1.0	-56.40	332.68	-2.42	-58.82
NC1=NC([O-])=C(CC(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)S1	REAL300031821488	0	37	-1.0	-75.12	344.69	-3.37	-78.49
O=C(CC1=NC([O-])=CS1)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031821567	0	35	-1.0	-79.35	329.88	-2.51	-81.86
CCC1=NC=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031821599	1	40	-1.0	-53.19	348.50	0.09	-53.10
O=C(CN1N=CC(=O)[N-]C1=O)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031821613	0	37	-1.0	-69.09	339.37	-3.94	-73.03
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=C(Cl)C(=O)[N-]S1	REAL300031821713	0	32	-1.0	-58.88	320.86	-1.11	-59.99
COCC1=NC=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300031821853	0	41	-1.0	-54.29	361.43	-1.67	-55.96
COCC1=NC=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031821853	1	41	-1.0	-54.29	361.43	-1.67	-55.96
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(CC2CC2)NC1=O	REAL300031821868	0	44	-1.0	-53.14	379.42	1.69	-51.45
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(CC2CC2)[N-]C1=O	REAL300031821868	1	44	-1.0	-53.14	379.42	1.69	-51.45
CC1=CC(=O)C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031821976	0	37	-1.0	-60.96	332.01	1.38	-59.58
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)N[N-]1	REAL300031821999	0	32	-1.0	-55.80	297.88	-3.70	-59.50
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300031822030	1	37	-1.0	-57.27	340.41	0.62	-56.65
CC1=NC2=NC=C(C(=O)NC3CCN(C(=O)C4=NSNC4=O)C3)C(=O)N2[N-]1	REAL300031822066	0	40	-1.0	-52.33	355.51	2.87	-49.46
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300031822193	0	35	-1.0	-71.22	338.67	-0.82	-72.04
COC1=NC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300031822214	0	38	-1.0	-62.69	344.02	-4.40	-67.09
O=C(NC1CCN(C(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300031822468	1	35	-1.0	-72.91	315.07	1.25	-71.66
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC(NC(=O)C2=NSNC2=O)C1	REAL300031822599	1	41	-1.0	-61.15	368.24	-0.37	-61.52
CC(=O)[N-]C1=NC(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2)=CS1	REAL300031822617	1	38	-1.0	-52.09	353.32	-0.64	-52.73
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CCN1[N-]C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031829588	0	39	-1.0	-61.07	347.96	0.18	-60.89
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CN1[N-]C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031829614	0	36	-1.0	-60.11	326.15	-0.75	-60.86
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CC1=CC(=O)C(C(=O)N2CCC3(CC3NC(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300031835181	0	44	-1.0	-56.82	374.90	3.56	-53.26
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NC1=NC=C(C(=O)N2CCC3(CC3NC(=O)C3=NSNC3=O)CC2)C(=O)N1	REAL300031835457	0	43	-1.0	-63.16	373.72	0.03	-63.13
NC1=NC=C(C(=O)N2CCC3(CC3NC(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031835457	1	43	-1.0	-63.16	373.72	0.03	-63.13
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CC1SC(C(=O)N2CCC3(CC3NC(=O)C3=NSNC3=O)CC2)=NC1=O	REAL300031835561	0	42	-1.0	-58.99	372.55	0.66	-58.33
CC1=C([O-])N=C(C(=O)N2CCC3(CC3NC(=O)C3=NSNC3=O)CC2)S1	REAL300031835561	1	42	-1.0	-58.99	372.55	0.66	-58.33
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CCN1[N-]C(C(=O)N2CCC3(CC3NC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031835702	0	46	-1.0	-56.40	390.01	2.49	-53.91
CN1[N-]C(C(=O)N2CCC3(CC3NC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031835718	0	43	-1.0	-55.63	368.28	1.56	-54.07
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CC1=CN=C(C(=O)N2CCC3(CC3NC(=O)C3=NSNC3=O)CC2)C(O)=C1	REAL300031835865	0	45	-1.0	-68.83	379.67	4.14	-64.69
CC1=CN=C(C(=O)N2CCC3(CC3NC(=O)C3=NSNC3=O)CC2)C([O-])=C1	REAL300031835865	1	45	-1.0	-68.83	379.67	4.14	-64.69
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CN1[N-]C(C(=O)NC2CC23CCN(C(=O)C2=NSNC2=O)CC3)=CC1=O	REAL300031835986	0	43	-1.0	-54.80	368.44	1.52	-53.28
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CCCN(C(=O)C1=COC(=O)N1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031836834	0	44	-1.0	-55.36	360.28	2.88	-52.48
CCCN(C(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031836834	1	44	-1.0	-55.36	360.28	2.88	-52.48
CCCN(C(=O)CC1=CC(=O)NN1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031836903	0	48	-1.0	-67.89	390.81	2.51	-65.38
CCCN(C(=O)CC1=CC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031836903	1	48	-1.0	-67.89	390.81	2.51	-65.38
CCCN(C(=O)C1=NN(C)C(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031836909	0	47	-1.0	-66.53	382.65	2.38	-64.15
CCCN(C(=O)C1=C[N-]N=CC1=O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031836935	0	46	-1.0	-56.79	381.68	3.64	-53.15
CCCN(C(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031836966	0	45	-1.0	-58.87	365.18	2.26	-56.61
CCCN(C(=O)C1=NC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300031837106	0	44	-1.0	-56.95	360.07	1.95	-55.00
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300031837387	1	47	-1.0	-76.11	377.46	5.87	-70.24
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300031837854	1	44	-1.0	-58.23	359.81	2.36	-55.87
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300031837921	0	46	-1.0	-53.50	372.74	3.73	-49.77
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300031837978	0	45	-1.0	-60.97	365.53	2.23	-58.74
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300031838011	0	44	-1.0	-59.19	360.31	1.61	-57.58
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300031838116	1	47	-1.0	-59.65	379.79	3.47	-56.18
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1	REAL300031838220	0	47	-1.0	-68.41	382.35	2.45	-65.96
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=NC=C2[O-])CC1	REAL300031838340	0	47	-1.0	-79.14	379.05	4.46	-74.68
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300031838342	0	44	-1.0	-65.30	360.56	2.21	-63.09
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1	REAL300031838424	0	48	-1.0	-63.94	388.34	3.94	-60.00
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=CC(=O)N[N-]2)CC1	REAL300031838469	1	48	-1.0	-69.39	389.21	2.71	-66.68
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC([O-])=CS2)CC1	REAL300031838512	0	45	-1.0	-73.56	374.10	4.15	-69.41
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CN(CC1CCCN(C(=O)CC2=NC([O-])=CS2)C1)C(=O)C1=NSNC1=O	REAL300031851696	0	44	-1.0	-75.84	376.78	0.85	-74.99
CC1=CC(=O)C(C(=O)N2CCCC(CN(C)C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031851835	0	46	-1.0	-58.73	378.19	4.92	-53.81
CN(CC1CCCN(C(=O)C2=NNC(=O)[N-]2)C1)C(=O)C1=NSNC1=O	REAL300031851845	0	41	-1.0	-59.40	343.38	-0.27	-59.67
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NC=CC=C1[O-]	REAL300031852180	1	44	-1.0	-79.90	361.50	4.58	-75.32
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300031852269	0	43	-1.0	-73.56	359.72	-1.05	-74.61
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)CN1C(=O)[N-]NC1=O	REAL300031852356	0	45	-1.0	-72.06	376.53	0.43	-71.63
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=COC(=O)[N-]1	REAL300031853152	1	41	-1.0	-62.21	343.76	1.19	-61.02
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C([O-])C=C1F	REAL300031853214	1	45	-1.0	-66.98	374.22	4.10	-62.88
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC([O-])=CC(=O)O1	REAL300031853217	0	44	-1.0	-67.26	369.78	3.28	-63.98
CC1=CC=C([O-])C(C(=O)N(C)CC2CCCN(C(=O)C3=NSNC3=O)C2)=N1	REAL300031853264	1	47	-1.0	-77.81	383.61	5.23	-72.58
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=C[N-]N=CC1=O	REAL300031853274	0	43	-1.0	-55.03	353.86	2.57	-52.46
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=CC(F)=C1[O-]	REAL300031853281	0	45	-1.0	-83.41	368.43	5.51	-77.90
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=CC([O-])=C1F	REAL300031853336	1	45	-1.0	-80.38	368.74	4.05	-76.33
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(=O)N[N-]1	REAL300031853401	0	42	-1.0	-68.66	348.02	1.10	-67.56
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300031853406	0	47	-1.0	-61.60	383.91	2.90	-58.70
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300031853452	0	45	-1.0	-81.69	378.46	4.75	-76.94
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NC(=O)N[N-]1	REAL300031853467	0	41	-1.0	-67.02	342.88	0.49	-66.53
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=CN([O-])C1=O	REAL300031853471	0	45	-1.0	-80.94	377.74	4.71	-76.23
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(F)=CC=C1O	REAL300031853568	0	45	-1.0	-73.79	368.67	5.50	-68.29
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(F)=CC=C1[O-]	REAL300031853568	1	45	-1.0	-73.79	368.67	5.50	-68.29
CC1=CC=NC(C(=O)N(C)CC2CCCN(C(=O)C3=NSNC3=O)C2)=C1O	REAL300031853609	0	47	-1.0	-76.50	382.29	5.34	-71.16
CC1=CC=NC(C(=O)N(C)CC2CCCN(C(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300031853609	1	47	-1.0	-76.50	382.29	5.34	-71.16
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CN=CC(O)=C1	REAL300031853664	0	44	-1.0	-68.25	360.20	2.18	-66.07
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CN=CC([O-])=C1	REAL300031853664	1	44	-1.0	-68.25	360.20	2.18	-66.07
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)CC1=NC([O-])=CS1	REAL300031853743	0	44	-1.0	-80.45	377.65	0.65	-79.80
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=C(O)C=CC=C1F	REAL300031853754	0	45	-1.0	-79.08	377.76	4.19	-74.89
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=C([O-])C=CC=C1F	REAL300031853754	1	45	-1.0	-79.08	377.76	4.19	-74.89
CC1=CC(=O)C(C(=O)N(C)CC2CCCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031853839	0	46	-1.0	-67.57	377.60	4.87	-62.70
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300031853854	0	45	-1.0	-70.82	374.12	4.81	-66.01
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300031853896	0	44	-1.0	-76.48	365.48	1.28	-75.20
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C(F)C([O-])=C1	REAL300031854011	1	45	-1.0	-71.92	371.53	4.02	-67.90
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300031854058	0	43	-1.0	-60.11	362.44	-0.41	-60.52
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300031854058	1	43	-1.0	-60.11	362.44	-0.41	-60.52
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CN=C(N)NC1=O	REAL300031854093	0	45	-1.0	-70.51	375.91	1.27	-69.24
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CN=C(N)[N-]C1=O	REAL300031854093	1	45	-1.0	-70.51	375.91	1.27	-69.24
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300031854174	0	41	-1.0	-66.84	343.58	1.22	-65.62
CC1SC(C(=O)N(C)CC2CCCN(C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300031854189	0	44	-1.0	-70.28	374.81	1.92	-68.36
CC1=C([O-])N=C(C(=O)N(C)CC2CCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300031854189	1	44	-1.0	-70.28	374.81	1.92	-68.36
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300031854281	0	45	-1.0	-63.73	379.92	-0.08	-63.81
CCN1[N-]C(C(=O)N(C)CC2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031854319	0	48	-1.0	-68.79	393.66	3.82	-64.97
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300031854335	0	45	-1.0	-71.76	370.84	2.81	-68.95
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)CC1=CC(=O)NN1	REAL300031854413	0	45	-1.0	-69.76	372.15	1.54	-68.22
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)CC1=CC(=O)N[N-]1	REAL300031854413	1	45	-1.0	-69.76	372.15	1.54	-68.22
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C(O)C(F)=C1	REAL300031854417	0	45	-1.0	-69.82	371.49	4.07	-65.75
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300031854417	1	45	-1.0	-69.82	371.49	4.07	-65.75
CC1=CN=C(C(=O)N(C)CC2CCCN(C(=O)C3=NSNC3=O)C2)C(O)=C1	REAL300031854473	0	47	-1.0	-81.73	382.94	5.21	-76.52
CC1=CN=C(C(=O)N(C)CC2CCCN(C(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300031854473	1	47	-1.0	-81.73	382.94	5.21	-76.52
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC([O-])=CS1	REAL300031854485	0	42	-1.0	-78.72	356.48	2.61	-76.11
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300031854496	0	45	-1.0	-80.11	369.55	4.50	-75.61
CN(CC1CCCN(C(=O)C2=CC(=O)N(C)[N-]2)C1)C(=O)C1=NSNC1=O	REAL300031854587	0	45	-1.0	-60.67	370.95	2.82	-57.85
CN(CC1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C(=O)C1=NSNC1=O	REAL300031854672	0	43	-1.0	-56.03	362.57	-1.22	-57.25
CN(CC1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C(=O)C1=NSNC1=O	REAL300031854672	1	43	-1.0	-52.90	362.63	-0.55	-53.45
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NSNC1=O	REAL300031854773	0	41	-1.0	-60.98	342.97	1.10	-59.88
O=C(C1=NSNC1=O)N1CC2CCC(C1)N2C(=O)C1=NNC(=O)[N-]C1=O	REAL300031856034	0	38	-1.0	-55.38	326.43	-1.38	-56.76
O=C(CN1C(=O)[N-]NC1=O)N1C2CCC1CN(C(=O)C1=NSNC1=O)C2	REAL300031856125	0	40	-1.0	-58.88	344.15	0.03	-58.85
O=C(C1=NSNC1=O)N1CC2CCC(C1)N2C(=O)C1=CN([O-])C(=O)C=C1	REAL300031856751	0	40	-1.0	-66.99	336.05	4.08	-62.91
O=C(C1=NSNC1=O)N1CC2CCC(C1)N2C(=O)C1=CC(=O)NC([O-])=C1	REAL300031856871	0	40	-1.0	-50.81	335.89	-0.88	-51.69
O=C(C1=COC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=NSNC1=O)C2	REAL300031856882	1	36	-1.0	-46.41	310.02	0.55	-45.86
CCN1[N-]C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031857058	0	43	-1.0	-54.86	359.81	3.32	-51.54
O=C(CC1=CC(=O)N[N-]1)N1C2CCC1CN(C(=O)C1=NSNC1=O)C2	REAL300031857066	1	40	-1.0	-62.12	338.98	1.07	-61.05
O=C(C1=NSNC1=O)N1CC2CCC(C1)N2C(=O)C1=CC=CC(=S)N1[O-]	REAL300031857084	0	40	-1.0	-88.69	343.80	5.98	-82.71
O=C(CC1SC(=O)[N-]C1=O)N1C2CCC1CN(C(=O)C1=NSNC1=O)C2	REAL300031857094	0	40	-1.0	-49.82	352.80	-0.36	-50.18
CN1N=C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300031857110	0	39	-1.0	-56.99	332.44	0.84	-56.15
O=C(C1=NSNC1=O)N1CC2CCC(C1)N2C(=O)C1=C[N-]N=CC1=O	REAL300031857201	0	38	-1.0	-49.16	328.67	2.26	-46.90
O=C(C1=CC(=O)N[N-]1)N1C2CCC1CN(C(=O)C1=NSNC1=O)C2	REAL300031857308	0	37	-1.0	-51.62	315.33	0.70	-50.92
C[PH](C)([O-])C(=O)C(=O)N1C2CCC1CN(C(=O)C1=NSNC1=O)C2	REAL300031857313	0	42	-1.0	-52.36	347.83	1.76	-50.60
O=C(C1=NSNC1=O)N1CC2CCC(C1)N2C(=O)C1=CC=CN([O-])C1=O	REAL300031857345	0	40	-1.0	-73.70	344.97	4.40	-69.30
CC1SC(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)C3)=NC1=O	REAL300031857374	0	39	-1.0	-59.28	341.89	1.34	-57.94
CC1=C([O-])N=C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)C3)S1	REAL300031857374	1	39	-1.0	-59.28	341.89	1.34	-57.94
O=C(C1=NSNC1=O)N1CC2CCC(C1)N2C(=O)C1=CC(=O)C=C(Cl)N1	REAL300031857388	0	39	-1.0	-45.93	345.01	4.23	-41.70
O=C(C1=NSNC1=O)N1CC2CCC(C1)N2C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031857388	1	39	-1.0	-45.93	345.01	4.23	-41.70
O=C(C1=NSNC1=O)N1CC2CCC(C1)N2C(=O)C1=CC(=O)N([O-])C=C1	REAL300031857407	0	40	-1.0	-66.93	336.46	4.06	-62.87
O=C(C1=NSNC1=O)N1CC2CCC(C1)N2C(=O)C1=CC=CC(=O)N1[O-]	REAL300031857442	0	40	-1.0	-85.31	332.69	4.96	-80.35
NC1=NC([O-])=C(CC(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)C3)S1	REAL300031857572	0	41	-1.0	-67.20	359.90	-0.46	-67.66
O=C(CC1=NC([O-])=CS1)N1C2CCC1CN(C(=O)C1=NSNC1=O)C2	REAL300031857620	0	39	-1.0	-72.83	345.19	0.44	-72.39
CCC1=NC=C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)C3)C(=O)N1	REAL300031857638	0	44	-1.0	-52.18	356.63	2.49	-49.69
CCC1=NC=C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300031857638	1	44	-1.0	-52.18	356.63	2.49	-49.69
CC1=CC(=O)C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300031857866	0	41	-1.0	-53.99	343.63	4.48	-49.51
O=C(C1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=NSNC1=O)C2	REAL300031857881	0	36	-1.0	-53.78	309.68	-0.83	-54.61
O=C(C1=CN=C(C=N[O-])S1)N1C2CCC1CN(C(=O)C1=NSNC1=O)C2	REAL300031857998	0	39	-1.0	-63.57	348.63	1.57	-62.00
COC1=NC(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)C3)=CC(=O)[N-]1	REAL300031858013	0	42	-1.0	-55.54	352.57	-0.88	-56.42
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=NC=CC=C1[O-])C2	REAL300031858270	1	39	-1.0	-64.20	326.70	4.40	-59.80
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300031858397	0	38	-1.0	-55.36	326.28	-1.42	-56.78
O=C(CN1C(=O)[N-]NC1=O)N1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300031858569	0	40	-1.0	-57.82	343.74	0.07	-57.75
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC(Cl)=CC=C1[O-])C2	REAL300031859990	1	40	-1.0	-57.68	350.59	5.20	-52.48
N#CC1=CC([O-])=CC(C(=O)N2CC3CCC(C2)N3C(=O)C2=NSNC2=O)=C1	REAL300031860015	1	41	-1.0	-45.76	355.60	4.07	-41.69
CCC1=NC=C(C(=O)N2CC3CCC(C2)N3C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031860103	1	44	-1.0	-55.07	369.79	2.55	-52.52
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=COC(=O)[N-]1)C2	REAL300031860122	1	36	-1.0	-45.46	309.95	0.85	-44.61
O=C(C[N-]C(=O)C(F)(F)F)N1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300031860192	0	39	-1.0	-49.44	348.06	0.37	-49.07
NC1=NC([O-])=C(CC(=O)N2CC3CCC(C2)N3C(=O)C2=NSNC2=O)S1	REAL300031860193	0	41	-1.0	-71.25	359.53	-0.46	-71.71
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=C(F)C=C([O-])C=C1F)C2	REAL300031860203	0	40	-1.0	-50.61	348.12	3.90	-46.71
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=C([O-])C=C1F)C2	REAL300031860218	1	40	-1.0	-52.32	340.82	3.74	-48.58
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC([O-])=CC(=O)O1)C2	REAL300031860224	0	39	-1.0	-54.07	335.61	2.94	-51.13
N#CC1=CC=C(C(=O)N2CC3CCC(C2)N3C(=O)C2=NSNC2=O)C=C1[O-]	REAL300031860231	1	41	-1.0	-48.56	355.05	4.13	-44.43
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC(Cl)=NC=C1[O-])C2	REAL300031860234	0	39	-1.0	-53.77	346.38	2.67	-51.10
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300031860252	0	41	-1.0	-58.79	354.40	-1.12	-59.91
CC1=CC=C([O-])C(C(=O)N2CC3CCC(C2)N3C(=O)C2=NSNC2=O)=N1	REAL300031860315	1	42	-1.0	-64.97	348.64	4.96	-60.01
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300031860333	0	38	-1.0	-46.94	328.45	2.25	-44.69
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=CC(F)=C1[O-])C2	REAL300031860342	0	40	-1.0	-66.58	340.38	4.35	-62.23
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=CC([O-])=C1F)C2	REAL300031860438	1	40	-1.0	-63.57	340.64	3.75	-59.82
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300031860546	0	37	-1.0	-48.78	314.80	0.73	-48.05
C[PH](C)([O-])C(=O)C(=O)N1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300031860552	0	42	-1.0	-49.93	353.91	1.78	-48.15
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300031860648	0	40	-1.0	-61.05	342.41	4.32	-56.73
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=NNC(=O)[N-]1)C2	REAL300031860673	0	36	-1.0	-52.48	309.19	-0.71	-53.19
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=C(O)C=CC=C1Cl)C2	REAL300031860676	0	40	-1.0	-52.19	350.71	4.43	-47.76
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=C([O-])C=CC=C1Cl)C2	REAL300031860676	1	40	-1.0	-52.19	350.71	4.43	-47.76
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300031860680	0	40	-1.0	-66.83	342.28	4.22	-62.61
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=C(F)C=CC(O)=C1F)C2	REAL300031860709	0	40	-1.0	-57.66	348.07	3.81	-53.85
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=C(F)C=CC([O-])=C1F)C2	REAL300031860709	1	40	-1.0	-57.66	348.07	3.81	-53.85
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC(F)=CC=C1O)C2	REAL300031860853	0	40	-1.0	-57.07	340.27	4.74	-52.33
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC(F)=CC=C1[O-])C2	REAL300031860853	1	40	-1.0	-57.07	340.27	4.74	-52.33
CC1=CC=NC(C(=O)N2CC3CCC(C2)N3C(=O)C2=NSNC2=O)=C1O	REAL300031860918	0	42	-1.0	-63.74	347.34	5.08	-58.66
CC1=CC=NC(C(=O)N2CC3CCC(C2)N3C(=O)C2=NSNC2=O)=C1[O-]	REAL300031860918	1	42	-1.0	-63.74	347.34	5.08	-58.66
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CN=CC([O-])=C1)C2	REAL300031861033	1	39	-1.0	-48.01	329.61	1.91	-46.10
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=CC(=S)N1[O-])C2	REAL300031861043	0	40	-1.0	-79.39	353.67	4.75	-74.64
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=C([O-])C(Cl)=N1)C2	REAL300031861155	0	39	-1.0	-44.45	345.41	3.23	-41.22
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=C([O-])C=C1Cl)C2	REAL300031861197	1	40	-1.0	-50.97	349.72	4.19	-46.78
O=C(CC1=NC([O-])=CS1)N1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300031861208	0	39	-1.0	-68.24	344.89	0.38	-67.86
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=C([O-])C=CC=C1F)C2	REAL300031861223	0	40	-1.0	-59.57	341.71	3.84	-55.73
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300031861225	0	42	-1.0	-56.18	360.16	0.98	-55.20
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=C(F)C=C1[O-])C2	REAL300031861226	0	40	-1.0	-60.37	340.61	4.72	-55.65
CC1=CC=C(F)C([O-])=C1C(=O)N1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300031861263	0	43	-1.0	-59.82	362.79	4.54	-55.28
O=C(CC1SC(=O)[N-]C1=O)N1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300031861332	0	40	-1.0	-49.55	351.97	-0.33	-49.88
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=C([O-])C(F)=C1F)C2	REAL300031861357	0	40	-1.0	-54.26	347.15	3.83	-50.43
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=CC(Cl)=C1[O-])C2	REAL300031861364	0	40	-1.0	-61.24	350.19	4.83	-56.41
CC1=CC(=O)C(C(=O)N2CC3CCC(C2)N3C(=O)C2=NSNC2=O)=N[N-]1	REAL300031861393	0	41	-1.0	-52.57	343.44	4.45	-48.12
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300031861418	0	40	-1.0	-75.63	342.57	4.12	-71.51
N#CC1=CC=C(C(=O)N2CC3CCC(C2)N3C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031861448	0	40	-1.0	-50.59	354.07	2.09	-48.50
CN1N=C(C(=O)N2CC3CCC(C2)N3C(=O)C2=NSNC2=O)[N-]C1=O	REAL300031861497	0	39	-1.0	-57.22	332.29	0.96	-56.26
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=C(F)C=CC(O)=C1O)C2	REAL300031861550	0	41	-1.0	-60.81	352.43	1.91	-58.90
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=C(F)C=CC(O)=C1[O-])C2	REAL300031861550	1	41	-1.0	-60.81	352.43	1.91	-58.90
N#CC1=CC=C([O-])C(C(=O)N2CC3CCC(C2)N3C(=O)C2=NSNC2=O)=C1	REAL300031861559	0	41	-1.0	-53.95	354.70	5.11	-48.84
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CN([O-])C(=O)NC1=O)C2	REAL300031861653	0	40	-1.0	-54.69	342.15	1.63	-53.06
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=C(F)C(O)=C1)C2	REAL300031861706	0	40	-1.0	-58.46	338.54	3.69	-54.77
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=C(F)C([O-])=C1)C2	REAL300031861706	1	40	-1.0	-58.46	338.54	3.69	-54.77
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=C(Cl)C=C1O)C2	REAL300031861725	0	40	-1.0	-60.08	350.92	5.18	-54.90
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=C(Cl)C=C1[O-])C2	REAL300031861725	1	40	-1.0	-60.08	350.92	5.18	-54.90
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300031861795	0	38	-1.0	-47.91	327.90	-1.64	-49.55
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300031861795	1	38	-1.0	-43.35	328.74	-0.90	-44.25
NC1=NC=C(C(=O)N2CC3CCC(C2)N3C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031861855	1	40	-1.0	-55.62	343.15	0.90	-54.72
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=C(F)C([O-])=C1F)C2	REAL300031861890	0	40	-1.0	-62.96	347.10	3.82	-59.14
COC1=NC(C(=O)N2CC3CCC(C2)N3C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300031861935	0	42	-1.0	-54.53	353.02	-0.70	-55.23
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=NC=CC(Cl)=C1[O-])C2	REAL300031861945	0	39	-1.0	-57.76	343.50	4.91	-52.85
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=C(Cl)C([O-])=C1)C2	REAL300031861983	0	40	-1.0	-48.18	350.82	4.25	-43.93
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=NC=C1[O-])C2	REAL300031861992	0	39	-1.0	-58.68	329.17	2.72	-55.96
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300031861998	0	36	-1.0	-56.04	310.17	0.81	-55.23
CC1=C([O-])N=C(C(=O)N2CC3CCC(C2)N3C(=O)C2=NSNC2=O)S1	REAL300031862021	1	39	-1.0	-49.95	341.30	1.56	-48.39
O=C(C(=O)N1CC2CCC(C1)N2C(=O)C1=NSNC1=O)C1=CC=C([O-])C=C1	REAL300031862115	1	42	-1.0	-51.62	361.32	3.74	-47.88
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CN=C(C=N[O-])S1)C2	REAL300031862136	0	39	-1.0	-62.42	350.72	1.75	-60.67
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2	REAL300031862160	1	39	-1.0	-45.46	344.78	4.26	-41.20
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300031862182	0	40	-1.0	-46.69	339.98	-0.69	-47.38
CCN1[N-]C(C(=O)N2CC3CCC(C2)N3C(=O)C2=NSNC2=O)=CC1=O	REAL300031862243	0	43	-1.0	-52.51	359.35	3.37	-49.14
CN1[N-]C(C(=O)N2CC3CCC(C2)N3C(=O)C2=NSNC2=O)=CC1=O	REAL300031862264	0	40	-1.0	-51.60	337.62	2.43	-49.17
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300031862274	0	40	-1.0	-55.38	355.05	0.40	-54.98
O=C(CC1=CC(=O)N[N-]1)N1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300031862410	1	40	-1.0	-58.31	339.05	1.10	-57.21
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=C([O-])C(F)=C1)C2	REAL300031862415	1	40	-1.0	-56.42	338.51	3.73	-52.69
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC(F)=C([O-])C(F)=C1)C2	REAL300031862462	0	40	-1.0	-53.03	347.14	3.85	-49.18
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=NC(Cl)=C1[O-])C2	REAL300031862467	0	39	-1.0	-58.48	345.67	2.72	-55.76
CC1=C(CC(=O)N2CC3CCC(C2)N3C(=O)C2=NSNC2=O)C(=O)N(C)[N-]1	REAL300031862482	0	46	-1.0	-63.51	381.61	3.55	-59.96
CC1=CN=C(C(=O)N2CC3CCC(C2)N3C(=O)C2=NSNC2=O)C([O-])=C1	REAL300031862518	1	42	-1.0	-65.51	348.14	5.04	-60.47
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC([O-])=CS1)C2	REAL300031862541	0	37	-1.0	-58.55	324.75	2.59	-55.96
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300031862557	0	40	-1.0	-67.39	345.59	4.38	-63.01
CN1[N-]C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031862722	0	40	-1.0	-54.04	337.66	2.41	-51.63
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=NSNC1=O)C2	REAL300031862729	0	40	-1.0	-55.31	355.29	0.30	-55.01
O=C(C1=NSNC1=O)N1CC2CCC(C1)N2C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300031862891	0	38	-1.0	-48.29	328.03	-1.82	-50.11
O=C(C1=NSNC1=O)N1CC2CCC(C1)N2C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300031862891	1	38	-1.0	-48.44	328.62	-0.96	-49.40
O=C(CN1[N-]C(=O)C=CC1=O)N1C2CCC1CN(C(=O)C1=NSNC1=O)C2	REAL300031863042	0	42	-1.0	-59.34	360.10	0.99	-58.35
O=C(C1=CC(=O)[N-]O1)N1C2CCC1CN(C(=O)C1=NSNC1=O)C2	REAL300031863050	0	36	-1.0	-56.04	310.25	0.84	-55.20
O=C(C1=NSNC1=O)N1CC2CCC(C1)N2C(=O)C1=CN([O-])C(=O)NC1=O	REAL300031863063	0	40	-1.0	-52.61	350.07	1.78	-50.83
CN(CC(=O)N1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=COC(=O)[N-]1	REAL300031863438	1	42	-1.0	-58.09	363.27	-0.04	-58.13
CN(CC(=O)N1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC(=O)N[N-]1	REAL300031863516	0	43	-1.0	-63.72	367.81	-0.09	-63.81
CN(CC(=O)N1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=NC(=O)N[N-]1	REAL300031863584	0	42	-1.0	-59.04	362.38	-0.67	-59.71
CN(CC(=O)N1CCN(C(=O)C2=COC(=O)[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300031863925	1	42	-1.0	-59.05	362.63	0.10	-58.95
CN(CC(=O)N1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300031863977	0	43	-1.0	-58.07	368.16	-0.01	-58.08
CN(CC(=O)N1CCN(C(=O)C2=NC(=O)N[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300031863987	0	42	-1.0	-54.33	362.31	-0.58	-54.91
CN(CC(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NSNC1=O	REAL300031864132	0	42	-1.0	-65.44	362.97	-0.04	-65.48
CN(CC(=O)N1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300031864286	0	42	-1.0	-63.26	363.13	0.04	-63.22
O=C(N[C@H]1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300031864824	1	41	-1.0	-62.24	368.52	0.12	-62.12
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031865130	0	41	-1.0	-44.27	362.72	-0.52	-44.79
O=C(CCCN1C(=O)[N-]NC1=O)N1CC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031865680	0	42	-1.0	-56.67	373.75	-1.80	-58.47
CC(C)CN1[N-]C(CC(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031865876	0	48	-1.0	-64.82	411.69	2.30	-62.52
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031865970	0	40	-1.0	-55.45	361.44	-4.53	-59.98
CC(=O)[N-]C1=NC(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)=CS1	REAL300031865971	1	38	-1.0	-51.95	353.29	-0.67	-52.62
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031866185	1	41	-1.0	-61.73	367.19	-0.40	-62.13
COC1=C(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031866330	1	39	-1.0	-58.56	348.73	-3.34	-61.90
O=C(N[C@H]1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300031866481	0	34	-1.0	-60.88	314.01	-4.47	-65.35
O=C(CN1C(=O)[N-]NC1=O)N1CC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031866622	0	36	-1.0	-59.04	332.31	-3.01	-62.05
CC1=C(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C(C)C)=N1	REAL300031866665	1	46	-1.0	-71.31	396.21	0.33	-70.98
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031866802	0	40	-1.0	-61.43	365.86	-0.12	-61.55
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=NC=CC=C1[O-]	REAL300031870061	1	35	-1.0	-70.48	315.28	1.03	-69.45
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031870192	1	41	-1.0	-66.09	364.87	-0.20	-66.29
CC(=O)[N-]C1=NC(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)=CS1	REAL300031870210	1	38	-1.0	-52.38	353.35	-0.84	-53.22
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300031870251	0	34	-1.0	-62.72	314.21	-4.37	-67.09
COC1=C(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031870321	1	39	-1.0	-61.51	347.95	-3.09	-64.60
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031870532	0	36	-1.0	-65.67	328.97	-2.81	-68.48
O=C(CN1[N-]C=C2C1=NC=NC2=O)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031870602	0	40	-1.0	-70.01	362.52	0.08	-69.93
O=C(CCCN1C(=O)[N-]NC1=O)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031871798	0	42	-1.0	-65.84	371.43	-1.61	-67.45
CC(C)CN1[N-]C(CC(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031872009	0	48	-1.0	-72.46	405.94	2.14	-70.32
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300031872069	1	41	-1.0	-55.32	358.91	0.80	-54.52
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031872322	0	41	-1.0	-49.62	365.49	-0.98	-50.60
CC1=C(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C(C)C)=N1	REAL300031872877	1	46	-1.0	-54.18	386.13	1.17	-53.01
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=CC([O-])=C1	REAL300031875049	1	35	-1.0	-65.31	315.24	-0.66	-65.97
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=S)N1[O-]	REAL300031875065	0	36	-1.0	-98.63	334.55	3.69	-94.94
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C2CCC2)[N-]C1=O	REAL300031875240	1	44	-1.0	-55.18	374.66	1.33	-53.85
NC1=CC(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)=CC([O-])=C1Cl	REAL300031875259	1	38	-1.0	-57.86	348.21	-0.31	-58.17
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(Cl)=N1	REAL300031875264	0	35	-1.0	-53.11	333.59	-0.13	-53.24
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031875342	0	40	-1.0	-61.79	355.91	1.16	-60.63
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C=C1Cl	REAL300031875349	1	36	-1.0	-61.94	332.85	1.63	-60.31
N#CC1=CC(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)=C([O-])C=C1N	REAL300031875352	0	39	-1.0	-67.86	351.90	1.00	-66.86
O=C(CC1=NC([O-])=CS1)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031875367	0	35	-1.0	-82.83	329.88	-2.49	-85.32
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C=CC=C1F	REAL300031875395	1	36	-1.0	-63.11	330.11	1.06	-62.05
O=C(CN1[N-]C(=O)C=CC1=O)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031875399	0	38	-1.0	-66.28	345.08	-1.82	-68.10
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(F)C=C1[O-]	REAL300031875404	0	36	-1.0	-73.21	324.59	2.77	-70.44
CC1=CC=C(F)C([O-])=C1C(=O)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031875464	0	39	-1.0	-64.77	348.82	1.72	-63.05
O=C(CC1SC(=O)[N-]C1=O)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031875579	0	36	-1.0	-60.00	337.41	-3.26	-63.26
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(F)=C1F	REAL300031875613	0	36	-1.0	-66.33	330.95	1.26	-65.07
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300031875617	1	37	-1.0	-46.72	339.83	-0.11	-46.83
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(Cl)=C1[O-]	REAL300031875624	0	36	-1.0	-71.20	333.46	3.33	-67.87
CC1=CC(=O)C(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031875668	0	37	-1.0	-60.57	331.95	1.39	-59.18
O=C(C=C([O-])C1=CC=C(O)C=C1)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031875673	0	41	-1.0	-72.67	361.05	1.32	-71.35
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300031875712	0	36	-1.0	-94.11	323.44	2.66	-91.45
N#CC1=CC=C(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031875762	0	36	-1.0	-49.42	332.68	-0.30	-49.72
O=C(COC1=NC(=O)[N-]C(=O)N1)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031875763	0	38	-1.0	-64.37	350.18	-6.26	-70.63
O=C(COC1=NC(=O)NC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031875763	1	38	-1.0	-58.49	350.11	-6.19	-64.68
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300031875795	0	38	-1.0	-55.27	343.88	2.85	-52.42
CN1N=C(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031875845	0	35	-1.0	-63.65	320.48	-2.19	-65.84
[N-]=[N+]=NC1=CC(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)=CC=C1[O-]	REAL300031875892	0	38	-1.0	-60.02	347.93	-1.03	-61.05
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=C(F)C=CC(O)=C1O	REAL300031875939	0	37	-1.0	-64.33	340.86	-0.87	-65.20
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=C(F)C=CC(O)=C1[O-]	REAL300031875939	1	37	-1.0	-64.33	340.86	-0.87	-65.20
N#CC1=CC=C([O-])C(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)=C1	REAL300031875954	0	37	-1.0	-64.10	338.26	3.22	-60.88
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C([O-])C=C1	REAL300031876963	1	38	-1.0	-60.64	339.90	1.08	-59.56
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300031877003	0	35	-1.0	-70.37	337.92	-0.74	-71.11
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300031877041	1	35	-1.0	-54.00	332.76	0.97	-53.03
CSC1=NC=C(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031877072	1	38	-1.0	-54.76	349.06	-0.29	-55.05
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)NC([O-])=C1	REAL300031877082	0	36	-1.0	-56.47	326.32	-3.24	-59.71
CCN1[N-]C(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031877181	0	39	-1.0	-60.65	347.16	0.32	-60.33
O=C(CNC(=O)C1=NC=CC=C1[O-])N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031877193	1	42	-1.0	-71.31	374.32	-0.46	-71.77
CN1[N-]C(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031877207	0	36	-1.0	-59.61	326.09	-0.70	-60.31
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300031877221	1	39	-1.0	-78.52	348.14	-0.21	-78.73
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031877226	0	36	-1.0	-63.22	340.27	-2.58	-65.80
CC1=C(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300031877228	1	38	-1.0	-79.07	354.01	-1.14	-80.21
CC1=C(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C2CC2)=N1	REAL300031877239	1	44	-1.0	-54.78	375.85	1.37	-53.41
O=C(CC1=CC(=O)N[N-]1)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031877434	1	36	-1.0	-69.66	323.96	-1.77	-71.43
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(F)=C1	REAL300031877441	1	36	-1.0	-64.80	326.40	1.22	-63.58
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(F)=C([O-])C(F)=C1	REAL300031877515	0	36	-1.0	-63.40	332.69	1.26	-62.14
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=NC(Cl)=C1[O-]	REAL300031877521	0	35	-1.0	-69.13	328.91	1.46	-67.67
CC1=C(CC(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300031877546	0	42	-1.0	-67.81	366.77	0.64	-67.17
O=C(CCC(=O)C1=CC=C([O-])C=C1)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300031877558	1	44	-1.0	-64.60	386.33	2.44	-62.16
CC1=CN=C(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300031877602	1	38	-1.0	-71.44	336.11	1.75	-69.69
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=C(O)C=CC(Cl)=C1[O-]	REAL300031877621	0	37	-1.0	-61.38	349.80	-1.14	-62.52
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC([O-])=CS1	REAL300031877647	0	33	-1.0	-67.05	311.78	0.14	-66.91
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)C=C1	REAL300031877675	0	36	-1.0	-76.95	325.87	1.69	-75.26
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(F)=CC(Cl)=C1[O-]	REAL300031877683	0	36	-1.0	-65.58	340.62	3.30	-62.28
O=C(N[C@H]1C[C@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300031879172	1	41	-1.0	-49.96	365.72	-0.43	-50.39
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031879478	0	41	-1.0	-44.63	371.85	-2.12	-46.75
O=C(CCCN1C(=O)[N-]NC1=O)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031880028	0	42	-1.0	-58.67	377.76	-2.75	-61.42
CC(C)CN1[N-]C(CC(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031880224	0	48	-1.0	-64.75	414.67	1.34	-63.41
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031880318	0	40	-1.0	-58.96	365.46	-5.49	-64.45
CC(=O)[N-]C1=NC(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=CS1	REAL300031880319	1	38	-1.0	-48.00	359.68	-1.97	-49.97
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031880533	1	41	-1.0	-61.65	371.23	-1.34	-62.99
COC1=C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031880678	1	39	-1.0	-57.24	354.70	-4.32	-61.56
O=C(N[C@H]1C[C@H](NC(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300031880829	0	34	-1.0	-56.76	321.12	-5.61	-62.37
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031880970	0	36	-1.0	-60.87	335.25	-3.95	-64.82
CC1=C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C(C)C)=N1	REAL300031881013	1	46	-1.0	-58.18	391.80	0.00	-58.18
O=C(CN1[N-]C=C2C1=NC=NC2=O)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031881150	0	40	-1.0	-61.44	368.78	-1.08	-62.52
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300031882970	0	33	-1.0	-55.84	309.56	-3.55	-59.39
C[PH](C)([O-])C(=O)C(=O)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031882975	0	38	-1.0	-53.04	348.17	-2.22	-55.26
CN1[N-]C(CC(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031882978	0	39	-1.0	-65.22	353.01	-1.19	-66.41
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=CN([O-])C1=O	REAL300031883029	0	36	-1.0	-69.89	329.74	0.68	-69.21
CSC1=NC=C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031883055	1	38	-1.0	-49.52	355.89	-1.50	-51.02
CC1=C([O-])N=C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300031883083	1	35	-1.0	-63.80	336.33	-3.42	-67.22
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300031883107	1	35	-1.0	-48.46	339.74	-0.25	-48.71
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC(=O)N([O-])C=C1	REAL300031883135	0	36	-1.0	-72.49	332.58	0.52	-71.97
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300031883210	0	36	-1.0	-84.27	329.67	1.50	-82.77
O=C(C[N-]C(=O)C(F)(F)F)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031883428	0	35	-1.0	-54.54	339.71	-3.67	-58.21
NC1=NC([O-])=C(CC(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300031883429	0	37	-1.0	-70.91	350.90	-4.51	-75.42
O=C(CC1=NC([O-])=CS1)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031883508	0	35	-1.0	-71.51	336.15	-3.64	-75.15
CCC1=NC=C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031883540	1	40	-1.0	-48.83	354.64	-1.02	-49.85
O=C(CN1N=CC(=O)[N-]C1=O)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031883554	0	37	-1.0	-63.43	345.60	-5.06	-68.49
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=C(Cl)C(=O)[N-]S1	REAL300031883654	0	32	-1.0	-56.58	327.15	-2.26	-58.84
COCC1=NC=C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300031883794	0	41	-1.0	-49.77	367.57	-2.78	-52.55
COCC1=NC=C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031883794	1	41	-1.0	-49.77	367.57	-2.78	-52.55
O=C(N[C@H]1C[C@H](NC(=O)C2=CN=C(CC3CC3)NC2=O)C1)C1=NSNC1=O	REAL300031883809	0	44	-1.0	-48.67	385.58	0.58	-48.09
O=C(N[C@H]1C[C@H](NC(=O)C2=CN=C(CC3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300031883809	1	44	-1.0	-48.67	385.58	0.58	-48.09
CC1=CC(=O)C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031883917	0	37	-1.0	-58.96	338.31	0.24	-58.72
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]1	REAL300031883940	0	32	-1.0	-59.19	304.12	-5.01	-64.20
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300031883971	1	37	-1.0	-52.76	346.76	-0.52	-53.28
CC1=NC2=NC=C(C(=O)N[C@H]3C[C@H](NC(=O)C4=NSNC4=O)C3)C(=O)N2[N-]1	REAL300031884007	0	40	-1.0	-48.61	361.91	1.72	-46.89
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300031884134	0	35	-1.0	-66.20	345.01	-1.96	-68.16
COC1=NC(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300031884155	0	38	-1.0	-59.95	350.35	-5.52	-65.47
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=NC=CC=C1[O-]	REAL300031884409	1	35	-1.0	-66.86	321.64	-0.11	-66.97
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031884540	1	41	-1.0	-61.65	371.23	-1.34	-62.99
CC(=O)[N-]C1=NC(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=CS1	REAL300031884558	1	38	-1.0	-48.00	359.68	-1.97	-49.97
O=C(N[C@H]1C[C@H](NC(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300031884599	0	34	-1.0	-56.76	321.12	-5.61	-62.37
COC1=C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031884669	1	39	-1.0	-57.24	354.70	-4.32	-61.56
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031884880	0	36	-1.0	-60.87	335.25	-3.95	-64.82
O=C(CN1[N-]C=C2C1=NC=NC2=O)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031884950	0	40	-1.0	-61.44	368.78	-1.08	-62.52
O=C(CCCN1C(=O)[N-]NC1=O)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031886146	0	42	-1.0	-58.67	377.76	-2.75	-61.42
CC(C)CN1[N-]C(CC(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031886357	0	48	-1.0	-64.75	414.67	1.34	-63.41
O=C(N[C@H]1C[C@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300031886417	1	41	-1.0	-49.96	365.72	-0.43	-50.39
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031886670	0	41	-1.0	-44.63	371.85	-2.12	-46.75
CC1=C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C(C)C)=N1	REAL300031887225	1	46	-1.0	-58.18	391.80	0.00	-58.18
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031887572	0	40	-1.0	-58.96	365.46	-5.49	-64.45
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300031887582	0	38	-1.0	-59.19	352.50	1.80	-57.39
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC(Cl)=CC=C1[O-]	REAL300031887601	1	36	-1.0	-63.71	341.12	2.12	-61.59
N#CC1=CC([O-])=CC(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=C1	REAL300031887642	1	37	-1.0	-54.28	347.40	0.36	-53.92
NC1=CC=C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C([O-])=C1Cl	REAL300031887679	0	38	-1.0	-66.72	352.96	0.09	-66.63
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300031887751	0	38	-1.0	-71.90	350.40	2.85	-69.05
CCC1=NC=C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031887790	1	40	-1.0	-48.83	354.64	-1.02	-49.85
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=COC(=O)[N-]1	REAL300031887820	1	32	-1.0	-51.35	304.74	-4.52	-55.87
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=CC([O-])=C1[N+](=O)[O-]	REAL300031887917	0	38	-1.0	-71.15	353.58	1.79	-69.36
O=C(C[N-]C(=O)C(F)(F)F)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031887937	0	35	-1.0	-54.54	339.71	-3.67	-58.21
NC1=NC([O-])=C(CC(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300031887938	0	37	-1.0	-70.91	350.90	-4.51	-75.42
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=C(F)C=C([O-])C=C1F	REAL300031887951	0	36	-1.0	-50.75	342.82	-0.06	-50.81
NC1=CC(=O)[N-]C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=N1	REAL300031888968	0	36	-1.0	-63.85	333.73	-4.10	-67.95
N#CC1=CN(CC(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]C1=O	REAL300031888984	0	39	-1.0	-66.85	369.99	-2.77	-69.62
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(Cl)=C1	REAL300031889061	0	36	-1.0	-53.48	342.56	0.57	-52.91
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC(F)=CC=C1[O-]	REAL300031889070	1	36	-1.0	-60.43	330.80	1.64	-58.79
CC1=CC=NC(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300031889186	1	38	-1.0	-66.76	341.93	0.58	-66.18
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300031889255	0	36	-1.0	-67.59	346.81	2.16	-65.43
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CN=CC([O-])=C1	REAL300031889397	1	35	-1.0	-59.11	321.58	-1.82	-60.93
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=CC(=S)N1[O-]	REAL300031889413	0	36	-1.0	-88.00	340.75	2.55	-85.45
O=C(N[C@H]1C[C@H](NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300031889588	1	44	-1.0	-49.90	381.60	0.12	-49.78
NC1=CC(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=CC([O-])=C1Cl	REAL300031889607	1	38	-1.0	-59.14	355.26	-1.54	-60.68
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(Cl)=N1	REAL300031889612	0	35	-1.0	-53.71	339.94	-1.26	-54.97
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031889690	0	40	-1.0	-61.13	362.85	0.02	-61.11
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C=C1Cl	REAL300031889697	1	36	-1.0	-58.35	339.03	0.52	-57.83
N#CC1=CC(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=C([O-])C=C1N	REAL300031889700	0	39	-1.0	-59.80	358.10	-0.13	-59.93
O=C(CC1=NC([O-])=CS1)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031889715	0	35	-1.0	-71.51	336.15	-3.64	-75.15
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=C([O-])C=CC=C1F	REAL300031889743	1	36	-1.0	-59.77	336.31	-0.06	-59.83
O=C(CN1[N-]C(=O)C=CC1=O)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031889747	0	38	-1.0	-60.94	351.37	-2.96	-63.90
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C(F)C=C1[O-]	REAL300031889752	0	36	-1.0	-64.17	330.78	1.66	-62.51
CC1=CC=C(F)C([O-])=C1C(=O)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031889812	0	39	-1.0	-72.33	355.73	0.51	-71.82
O=C(CC1SC(=O)[N-]C1=O)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031889927	0	36	-1.0	-53.64	343.83	-4.39	-58.03
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(F)=C1F	REAL300031889961	0	36	-1.0	-61.36	337.16	0.15	-61.21
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300031889965	1	37	-1.0	-42.04	346.19	-1.24	-43.28
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=CC(Cl)=C1[O-]	REAL300031889972	0	36	-1.0	-64.30	340.45	2.13	-62.17
CC1=CC(=O)C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031890016	0	37	-1.0	-58.96	338.31	0.24	-58.72
O=C(C=C([O-])C1=CC=C(O)C=C1)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031890021	0	41	-1.0	-66.43	368.07	0.09	-66.34
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300031890060	0	36	-1.0	-84.27	329.67	1.50	-82.77
N#CC1=CC=C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031890110	0	36	-1.0	-51.84	339.57	-1.52	-53.36
O=C(COC1=NC(=O)[N-]C(=O)N1)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031890111	0	38	-1.0	-61.19	356.52	-7.41	-68.60
O=C(COC1=NC(=O)NC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031890111	1	38	-1.0	-54.76	356.40	-7.37	-62.13
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300031890143	0	38	-1.0	-53.87	353.29	1.31	-52.56
CN1N=C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031890193	0	35	-1.0	-58.19	326.91	-3.34	-61.53
[N-]=[N+]=NC1=CC(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=CC=C1[O-]	REAL300031890240	0	38	-1.0	-56.46	354.29	-2.15	-58.61
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=C(F)C=CC(O)=C1O	REAL300031890287	0	37	-1.0	-66.72	347.03	-2.00	-68.72
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=C(F)C=CC(O)=C1[O-]	REAL300031890287	1	37	-1.0	-66.72	347.03	-2.00	-68.72
N#CC1=CC=C([O-])C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=C1	REAL300031890302	0	37	-1.0	-60.52	345.22	2.01	-58.51
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)NC1=O	REAL300031890465	0	36	-1.0	-56.87	335.04	-1.85	-58.72
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300031890509	0	36	-1.0	-58.13	346.99	2.16	-55.97
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C(F)C([O-])=C1	REAL300031890549	1	36	-1.0	-61.15	332.78	0.03	-61.12
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300031890559	1	41	-1.0	-76.55	365.18	2.06	-74.49
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300031890563	0	38	-1.0	-61.58	352.54	2.26	-59.32
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300031890567	0	38	-1.0	-53.49	352.55	2.25	-51.24
O=C([N-][C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C(F)(F)C(F)(F)F	REAL300031890569	1	31	-1.0	-50.23	311.34	-1.20	-51.43
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C(Cl)C=C1[O-]	REAL300031890581	1	36	-1.0	-63.71	341.10	2.11	-61.60
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300031890613	0	38	-1.0	-53.82	354.75	0.63	-53.19
O=C(N[C@H]1C[C@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300031890722	0	34	-1.0	-54.70	322.71	-6.59	-61.29
O=C(N[C@H]1C[C@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300031890722	1	34	-1.0	-48.20	323.33	-5.84	-54.04
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C2N=NN([O-])C2=C1	REAL300031890773	0	38	-1.0	-68.56	348.79	-0.98	-69.54
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300031890822	1	41	-1.0	-67.18	366.88	2.21	-64.97
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=C(Cl)C(=O)[N-]S1	REAL300031890823	0	32	-1.0	-56.58	327.15	-2.26	-58.84
NC1=NC=C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031890852	1	36	-1.0	-49.49	327.95	-2.67	-52.16
CC1=C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)[N-]C(=O)C(C#N)=C1	REAL300031890895	0	39	-1.0	-48.39	359.35	-0.88	-49.27
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C(F)C([O-])=C1F	REAL300031890924	0	36	-1.0	-68.68	337.12	0.11	-68.57
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300031890997	0	36	-1.0	-57.19	348.74	0.63	-56.56
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300031891006	1	37	-1.0	-52.76	346.76	-0.52	-53.28
COC1=NC(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300031891013	0	38	-1.0	-59.95	350.35	-5.52	-65.47
O=C(N[C@H]1C[C@H](NC(=O)C2=CC=C3N[N-]N=C3C2=O)C1)C1=NSNC1=O	REAL300031891016	0	38	-1.0	-63.67	344.91	-0.08	-63.75
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=NC=CC(Cl)=C1[O-]	REAL300031891029	0	35	-1.0	-62.88	337.82	0.40	-62.48
O=C(CC1=CC=C([O-])C(Cl)=C1)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031891036	1	39	-1.0	-64.68	367.23	1.21	-63.47
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C(Cl)C([O-])=C1	REAL300031891088	0	36	-1.0	-57.30	342.58	0.52	-56.78
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=NC=C1[O-]	REAL300031891100	1	35	-1.0	-63.94	319.67	-0.23	-64.17
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300031891110	0	32	-1.0	-56.23	304.31	-3.06	-59.29
CC1=C([O-])N=C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300031891161	1	35	-1.0	-63.80	336.33	-3.42	-67.22
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300031891242	1	42	-1.0	-68.03	369.32	3.93	-64.10
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300031891251	1	42	-1.0	-72.48	370.45	3.86	-68.62
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C([O-])C=C1	REAL300031891311	1	38	-1.0	-55.30	346.88	-0.17	-55.47
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300031891351	0	35	-1.0	-66.20	345.01	-1.96	-68.16
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CSC1=NC=C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031891420	1	38	-1.0	-49.52	355.89	-1.50	-51.02
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC(=O)NC([O-])=C1	REAL300031891430	0	36	-1.0	-55.07	332.67	-4.39	-59.46
CCN1[N-]C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031891529	0	39	-1.0	-54.96	354.11	-0.91	-55.87
O=C(CNC(=O)C1=NC=CC=C1[O-])N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031891541	1	42	-1.0	-65.81	380.60	-1.61	-67.42
CN1[N-]C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031891555	0	36	-1.0	-58.34	332.30	-1.84	-60.18
O=C(N[C@H]1C[C@H](NC(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1)C1=NSNC1=O	REAL300031891569	1	39	-1.0	-71.45	355.09	-1.44	-72.89
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031891574	0	36	-1.0	-57.45	346.55	-3.72	-61.17
CC1=C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300031891576	1	38	-1.0	-69.16	360.10	-2.43	-71.59
CC1=C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C2CC2)=N1	REAL300031891587	1	44	-1.0	-50.85	381.80	0.24	-50.61
O=C(CC1=CC(=O)N[N-]1)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031891782	1	36	-1.0	-61.55	330.27	-2.91	-64.46
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(F)=C1	REAL300031891789	1	36	-1.0	-57.10	332.79	0.06	-57.04
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC(F)=C([O-])C(F)=C1	REAL300031891863	0	36	-1.0	-60.93	339.01	0.15	-60.78
O=C(N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=NC(Cl)=C1[O-]	REAL300031891869	0	35	-1.0	-62.51	335.91	0.21	-62.30
CC1=C(CC(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300031891894	0	42	-1.0	-65.77	373.07	-0.50	-66.27
O=C(CCC(=O)C1=CC=C([O-])C=C1)N[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300031891906	1	44	-1.0	-60.66	392.67	1.31	-59.35
CC1=CN=C(C(=O)N[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300031891950	1	38	-1.0	-68.26	343.06	0.52	-67.74
O=C(NC1CC2CCC(C1)N2C(=O)C1=NSNC1=O)C1=NNC(=O)[N-]C1=O	REAL300031893789	0	41	-1.0	-53.91	350.20	-2.66	-56.57
O=C(CN1C(=O)[N-]NC1=O)NC1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300031893840	0	43	-1.0	-58.13	354.73	0.49	-57.64
O=C(NC1CC2CCC(C1)N2C(=O)C1=NSNC1=O)C1=CN([O-])C(=O)C=C1	REAL300031894220	0	43	-1.0	-67.22	361.29	3.51	-63.71
O=C(NC1CC2CCC(C1)N2C(=O)C1=NSNC1=O)C1=CC(=O)NC([O-])=C1	REAL300031894299	0	43	-1.0	-49.79	351.26	0.01	-49.78
O=C(NC1CC2CCC(C1)N2C(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300031894310	1	39	-1.0	-49.87	324.21	-0.10	-49.97
CCN1[N-]C(C(=O)NC2CC3CCC(C2)N3C(=O)C2=NSNC2=O)=CC1=O	REAL300031894427	0	46	-1.0	-54.32	373.58	3.53	-50.79
O=C(CC1=CC(=O)N[N-]1)NC1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300031894434	1	43	-1.0	-61.41	349.72	1.52	-59.89
CN1N=C(C(=O)NC2CC3CCC(C2)N3C(=O)C2=NSNC2=O)[N-]C1=O	REAL300031894457	0	42	-1.0	-55.91	355.98	-0.37	-56.28
O=C(NC1CC2CCC(C1)N2C(=O)C1=NSNC1=O)C1=C[N-]N=CC1=O	REAL300031894514	0	41	-1.0	-42.44	328.72	2.94	-39.50
O=C(NC1CC2CCC(C1)N2C(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300031894579	0	40	-1.0	-50.84	329.04	0.89	-49.95
C[PH](C)([O-])C(=O)C(=O)NC1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300031894584	0	45	-1.0	-50.38	367.57	2.20	-48.18
O=C(CCC1=NC(=O)NN1)NC1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300031894605	0	45	-1.0	-62.31	364.96	0.56	-61.75
O=C(CCC1=NC(=O)[N-]N1)NC1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300031894605	1	45	-1.0	-62.31	364.96	0.56	-61.75
O=C(NC1CC2CCC(C1)N2C(=O)C1=NSNC1=O)C1=CC=CN([O-])C1=O	REAL300031894608	0	43	-1.0	-80.93	349.26	5.92	-75.01
CC1SC(C(=O)NC2CC3CCC(C2)N3C(=O)C2=NSNC2=O)=NC1=O	REAL300031894629	0	42	-1.0	-55.63	355.58	1.02	-54.61
CC1=C([O-])N=C(C(=O)NC2CC3CCC(C2)N3C(=O)C2=NSNC2=O)S1	REAL300031894629	1	42	-1.0	-55.63	355.58	1.02	-54.61
O=C(NC1CC2CCC(C1)N2C(=O)C1=NSNC1=O)C1=CC(=O)N([O-])C=C1	REAL300031894645	0	43	-1.0	-67.98	361.65	3.49	-64.49
O=C(NC1CC2CCC(C1)N2C(=O)C1=NSNC1=O)C1=CC=CC(=O)N1[O-]	REAL300031894670	0	43	-1.0	-83.06	348.02	5.88	-77.18
O=C(CC1=NC([O-])=CS1)NC1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300031894784	0	42	-1.0	-71.59	355.56	0.80	-70.79
CC1=CC(=O)C(C(=O)NC2CC3CCC(C2)N3C(=O)C2=NSNC2=O)=N[N-]1	REAL300031894938	0	44	-1.0	-52.20	367.36	3.20	-49.00
O=C(NC1CC2CCC(C1)N2C(=O)C1=NSNC1=O)C1=NC(=O)N[N-]1	REAL300031894948	0	39	-1.0	-49.70	323.64	-0.41	-50.11
O=C(NC1CC2CCC(C1)N2C(=O)C1=NC=CC=C1[O-])C1=NSNC1=O	REAL300031895290	1	42	-1.0	-64.22	350.66	3.06	-61.16
O=C(NC1CC2CCC(C1)N2C(=O)C1=NNC(=O)[N-]C1=O)C1=NSNC1=O	REAL300031895388	0	41	-1.0	-57.40	350.13	-2.69	-60.09
O=C(CN1C(=O)[N-]NC1=O)N1C2CCC1CC(NC(=O)C1=NSNC1=O)C2	REAL300031895480	0	43	-1.0	-59.36	368.06	-1.22	-60.58
N#CC1=CC([O-])=CC(C(=O)N2C3CCC2CC(NC(=O)C2=NSNC2=O)C3)=C1	REAL300031896290	1	44	-1.0	-50.51	365.59	4.03	-46.48
O=C(NC1CC2CCC(C1)N2C(=O)C1=COC(=O)[N-]1)C1=NSNC1=O	REAL300031896357	1	39	-1.0	-54.43	333.74	-0.73	-55.16
O=C(NC1CC2CCC(C1)N2C(=O)C1=CC=C([O-])C=C1F)C1=NSNC1=O	REAL300031896426	1	43	-1.0	-55.90	360.71	2.29	-53.61
O=C(NC1CC2CCC(C1)N2C(=O)C1=CC([O-])=CC(=O)O1)C1=NSNC1=O	REAL300031896430	0	42	-1.0	-51.01	358.95	1.79	-49.22
N#CC1=CC=C(C(=O)N2C3CCC2CC(NC(=O)C2=NSNC2=O)C3)C=C1[O-]	REAL300031896433	1	44	-1.0	-60.37	364.88	4.09	-56.28
CC1=CC=C([O-])C(C(=O)N2C3CCC2CC(NC(=O)C2=NSNC2=O)C3)=N1	REAL300031896484	1	45	-1.0	-67.21	372.25	3.64	-63.57
O=C(NC1CC2CCC(C1)N2C(=O)C1=C[N-]N=CC1=O)C1=NSNC1=O	REAL300031896495	0	41	-1.0	-51.95	352.67	0.96	-50.99
O=C(NC1CC2CCC(C1)N2C(=O)C1=CC=CC(F)=C1[O-])C1=NSNC1=O	REAL300031896502	0	43	-1.0	-70.34	349.35	5.16	-65.18
O=C(NC1CC2CCC(C1)N2C(=O)C1=CC=CC([O-])=C1F)C1=NSNC1=O	REAL300031896566	1	43	-1.0	-67.59	349.66	3.72	-63.87
O=C(NC1CC2CCC(C1)N2C(=O)C1=CC(=O)N[N-]1)C1=NSNC1=O	REAL300031896638	0	40	-1.0	-51.64	338.63	-0.62	-52.26
C[PH](C)([O-])C(=O)C(=O)N1C2CCC1CC(NC(=O)C1=NSNC1=O)C2	REAL300031896643	0	45	-1.0	-52.56	377.43	0.48	-52.08
O=C(NC1CC2CCC(C1)N2C(=O)C1=CC(=O)N([O-])C=C1)C1=NSNC1=O	REAL300031896693	0	43	-1.0	-68.28	351.26	4.22	-64.06
O=C(NC1CC2CCC(C1)N2C(=O)C1=NNC(=O)[N-]1)C1=NSNC1=O	REAL300031896710	0	39	-1.0	-55.26	333.33	-2.08	-57.34
O=C(NC1CC2CCC(C1)N2C(=O)C1=CC=CN([O-])C1=O)C1=NSNC1=O	REAL300031896715	0	43	-1.0	-74.37	368.29	3.06	-71.31
O=C(NC1CC2CCC(C1)N2C(=O)C1=CC(F)=CC=C1O)C1=NSNC1=O	REAL300031896821	0	43	-1.0	-61.30	349.45	5.18	-56.12
O=C(NC1CC2CCC(C1)N2C(=O)C1=CC(F)=CC=C1[O-])C1=NSNC1=O	REAL300031896821	1	43	-1.0	-61.30	349.45	5.18	-56.12
CC1=CC=NC(C(=O)N2C3CCC2CC(NC(=O)C2=NSNC2=O)C3)=C1O	REAL300031896863	0	45	-1.0	-63.96	370.99	3.74	-60.22
CC1=CC=NC(C(=O)N2C3CCC2CC(NC(=O)C2=NSNC2=O)C3)=C1[O-]	REAL300031896863	1	45	-1.0	-63.96	370.99	3.74	-60.22
O=C(NC1CC2CCC(C1)N2C(=O)C1=CN=CC(O)=C1)C1=NSNC1=O	REAL300031896923	0	42	-1.0	-53.85	340.35	1.88	-51.97
O=C(NC1CC2CCC(C1)N2C(=O)C1=CN=CC([O-])=C1)C1=NSNC1=O	REAL300031896923	1	42	-1.0	-53.85	340.35	1.88	-51.97
O=C(CC1=NC([O-])=CS1)N1C2CCC1CC(NC(=O)C1=NSNC1=O)C2	REAL300031897016	0	42	-1.0	-72.78	368.89	-0.88	-73.66
O=C(NC1CC2CCC(C1)N2C(=O)C1=C([O-])C=CC=C1F)C1=NSNC1=O	REAL300031897027	0	43	-1.0	-59.55	369.13	2.66	-56.89
O=C(NC1CC2CCC(C1)N2C(=O)C1=CC=C(F)C=C1[O-])C1=NSNC1=O	REAL300031897028	0	43	-1.0	-66.19	360.49	3.48	-62.71
CC1=CC(=O)C(C(=O)N2C3CCC2CC(NC(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300031897122	0	44	-1.0	-55.81	367.33	3.17	-52.64
O=C(NC1CC2CCC(C1)N2C(=O)C1=CC=CC(=O)N1[O-])C1=NSNC1=O	REAL300031897137	0	43	-1.0	-61.41	344.42	4.13	-57.28
CN1N=C(C(=O)N2C3CCC2CC(NC(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300031897183	0	42	-1.0	-58.40	356.16	-0.44	-58.84
N#CC1=CC=C(C(=O)N2C3CCC2CC(NC(=O)C2=NSNC2=O)C3)C([O-])=C1	REAL300031897216	0	44	-1.0	-63.83	374.88	3.81	-60.02
N#CC1=CC=C([O-])C(C(=O)N2C3CCC2CC(NC(=O)C2=NSNC2=O)C3)=C1	REAL300031897222	0	44	-1.0	-58.12	363.87	5.54	-52.58
O=C(NC1CC2CCC(C1)N2C(=O)C1=CC=C(F)C([O-])=C1)C1=NSNC1=O	REAL300031897312	1	43	-1.0	-64.58	350.96	3.71	-60.87
O=C(NC1CC2CCC(C1)N2C(=O)C1=NC(=O)[N-]C(=O)N1)C1=NSNC1=O	REAL300031897362	0	41	-1.0	-49.10	342.68	-0.88	-49.98
O=C(NC1CC2CCC(C1)N2C(=O)C1=NC(=O)NC(=O)[N-]1)C1=NSNC1=O	REAL300031897362	1	41	-1.0	-49.10	342.68	-0.88	-49.98
NC1=NC=C(C(=O)N2C3CCC2CC(NC(=O)C2=NSNC2=O)C3)C(=O)N1	REAL300031897398	0	43	-1.0	-60.89	367.05	-0.35	-61.24
NC1=NC=C(C(=O)N2C3CCC2CC(NC(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300031897398	1	43	-1.0	-60.89	367.05	-0.35	-61.24
O=C(NC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C1=NSNC1=O	REAL300031897486	0	39	-1.0	-57.20	324.18	0.95	-56.25
CC1SC(C(=O)N2C3CCC2CC(NC(=O)C2=NSNC2=O)C3)=NC1=O	REAL300031897502	0	42	-1.0	-54.73	365.36	0.05	-54.68
CC1=C([O-])N=C(C(=O)N2C3CCC2CC(NC(=O)C2=NSNC2=O)C3)S1	REAL300031897502	1	42	-1.0	-54.73	365.36	0.05	-54.68
O=C(NC1CC2CCC(C1)N2C(=O)C1=CC(=O)NC([O-])=C1)C1=NSNC1=O	REAL300031897601	0	43	-1.0	-51.57	351.58	-0.72	-52.29
CCN1[N-]C(C(=O)N2C3CCC2CC(NC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031897643	0	46	-1.0	-55.28	383.17	2.02	-53.26
CN1[N-]C(C(=O)N2C3CCC2CC(NC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300031897659	0	43	-1.0	-55.65	361.34	1.09	-54.56
O=C(CC1=CC(=O)NN1)N1C2CCC1CC(NC(=O)C1=NSNC1=O)C2	REAL300031897740	0	43	-1.0	-62.35	363.04	-0.16	-62.51
O=C(CC1=CC(=O)N[N-]1)N1C2CCC1CC(NC(=O)C1=NSNC1=O)C2	REAL300031897740	1	43	-1.0	-62.35	363.04	-0.16	-62.51
O=C(NC1CC2CCC(C1)N2C(=O)C1=CC=C(O)C(F)=C1)C1=NSNC1=O	REAL300031897744	0	43	-1.0	-58.28	350.91	3.74	-54.54
O=C(NC1CC2CCC(C1)N2C(=O)C1=CC=C([O-])C(F)=C1)C1=NSNC1=O	REAL300031897744	1	43	-1.0	-58.28	350.91	3.74	-54.54
CC1=CN=C(C(=O)N2C3CCC2CC(NC(=O)C2=NSNC2=O)C3)C(O)=C1	REAL300031897806	0	45	-1.0	-65.64	372.11	3.71	-61.93
CC1=CN=C(C(=O)N2C3CCC2CC(NC(=O)C2=NSNC2=O)C3)C([O-])=C1	REAL300031897806	1	45	-1.0	-65.64	372.11	3.71	-61.93
O=C(NC1CC2CCC(C1)N2C(=O)C1=CC([O-])=CS1)C1=NSNC1=O	REAL300031897819	0	40	-1.0	-63.49	346.36	1.14	-62.35
O=C(NC1CC2CCC(C1)N2C(=O)C1=CN([O-])C(=O)C=C1)C1=NSNC1=O	REAL300031897830	0	43	-1.0	-66.64	360.78	2.76	-63.88
CN1[N-]C(C(=O)NC2CC3CCC(C2)N3C(=O)C2=NSNC2=O)=CC1=O	REAL300031897927	0	43	-1.0	-53.54	351.86	2.60	-50.94
O=C(NC1CC2CCC(C1)N2C(=O)C1=NSNC1=O)C1=NC(=O)[N-]C(=O)N1	REAL300031898022	0	41	-1.0	-46.97	342.81	-1.41	-48.38
O=C(NC1CC2CCC(C1)N2C(=O)C1=NSNC1=O)C1=NC(=O)NC(=O)[N-]1	REAL300031898022	1	41	-1.0	-46.97	342.81	-1.41	-48.38
O=C(NC1CC2CCC(C1)N2C(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300031898128	0	39	-1.0	-54.92	323.78	1.39	-53.53
O=C(C1=COC(=O)N1)N1CCCC2CN(C(=O)C3=NSNC3=O)CCC21	REAL300031898780	0	42	-1.0	-51.17	340.28	1.38	-49.79
O=C(C1=COC(=O)[N-]1)N1CCCC2CN(C(=O)C3=NSNC3=O)CCC21	REAL300031898780	1	42	-1.0	-51.17	340.28	1.38	-49.79
O=C(CC1=CC(=O)NN1)N1CCCC2CN(C(=O)C3=NSNC3=O)CCC21	REAL300031898850	0	46	-1.0	-57.91	368.90	1.66	-56.25
O=C(CC1=CC(=O)N[N-]1)N1CCCC2CN(C(=O)C3=NSNC3=O)CCC21	REAL300031898850	1	46	-1.0	-57.91	368.90	1.66	-56.25
CN1N=C(C(=O)N2CCCC3CN(C(=O)C4=NSNC4=O)CCC32)[N-]C1=O	REAL300031898856	0	45	-1.0	-56.98	362.60	1.45	-55.53
O=C(C1=NSNC1=O)N1CCC2C(CCCN2C(=O)C2=C[N-]N=CC2=O)C1	REAL300031898885	0	44	-1.0	-44.98	350.81	2.69	-42.29
O=C(C1=CC(=O)N[N-]1)N1CCCC2CN(C(=O)C3=NSNC3=O)CCC21	REAL300031898916	0	43	-1.0	-52.48	345.14	1.26	-51.22
O=C(C1=NC(=O)N[N-]1)N1CCCC2CN(C(=O)C3=NSNC3=O)CCC21	REAL300031899062	0	42	-1.0	-51.30	339.92	0.67	-50.63
O=C(C1=NSNC1=O)N1CCCC2CN(C(=O)C3=NC=CC=C3[O-])CCC21	REAL300031899345	1	45	-1.0	-73.63	361.79	3.80	-69.83
O=C(C1=COC(=O)[N-]1)N1CCC2C(CCCN2C(=O)C2=NSNC2=O)C1	REAL300031899820	1	42	-1.0	-60.32	340.00	1.24	-59.08
O=C(C1=NSNC1=O)N1CCCC2CN(C(=O)C3=C[N-]N=CC3=O)CCC21	REAL300031899891	0	44	-1.0	-55.91	358.10	2.60	-53.31
O=C(C1=CC(=O)N[N-]1)N1CCC2C(CCCN2C(=O)C2=NSNC2=O)C1	REAL300031899950	0	43	-1.0	-58.03	344.87	1.12	-56.91
O=C(C1=NC(=O)N[N-]1)N1CCC2C(CCCN2C(=O)C2=NSNC2=O)C1	REAL300031899984	0	42	-1.0	-59.71	339.42	0.51	-59.20
O=C(C1=NSNC1=O)N1CCCC2CN(C(=O)C3=CN=CC([O-])=C3)CCC21	REAL300031900092	1	45	-1.0	-60.09	359.58	2.27	-57.82
CN1N=C(C(=O)N2CCC3C(CCCN3C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031900200	0	45	-1.0	-63.93	362.44	1.28	-62.65
O=C(C1=NSNC1=O)N1CCCC2CN(C(=O)C3=CC=NC=C3[O-])CCC21	REAL300031900330	0	45	-1.0	-73.52	360.38	2.96	-70.56
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=NSNC2=O)C1	REAL300031900333	0	42	-1.0	-59.99	340.21	1.22	-58.77
CN1[N-]C(C(=O)N2CCC3C(CCCN3C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031900420	0	46	-1.0	-59.97	367.85	2.86	-57.11
O=C(CC1=CC(=O)N[N-]1)N1CCC2C(CCCN2C(=O)C2=NSNC2=O)C1	REAL300031900466	1	46	-1.0	-62.79	368.89	1.54	-61.25
O=C(C1=CC([O-])=CS1)N1CCC2C(CCCN2C(=O)C2=NSNC2=O)C1	REAL300031900510	0	43	-1.0	-70.38	356.16	3.09	-67.29
CN1[N-]C(C(=O)N2CCCC3CN(C(=O)C4=NSNC4=O)CCC32)=CC1=O	REAL300031900563	0	46	-1.0	-54.70	367.87	2.97	-51.73
O=C(C1=CC(=O)[N-]O1)N1CCCC2CN(C(=O)C3=NSNC3=O)CCC21	REAL300031900657	0	42	-1.0	-57.85	340.11	1.28	-56.57
O=C(N[C@H]1C[C@@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300031901175	1	41	-1.0	-50.19	365.73	-0.40	-50.59
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031901481	0	41	-1.0	-44.53	371.96	-2.16	-46.69
O=C(CCCN1C(=O)[N-]NC1=O)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031902031	0	42	-1.0	-61.79	377.90	-2.79	-64.58
CC(C)CN1[N-]C(CC(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031902227	0	48	-1.0	-59.95	409.35	1.70	-58.25
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031902321	0	40	-1.0	-59.93	365.63	-5.53	-65.46
CC(=O)[N-]C1=NC(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)=CS1	REAL300031902322	1	38	-1.0	-48.46	359.86	-2.02	-50.48
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031902536	1	41	-1.0	-63.84	371.38	-1.39	-65.23
COC1=C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031902681	1	39	-1.0	-49.26	351.98	-3.62	-52.88
O=C(N[C@H]1C[C@@H](NC(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300031902832	0	34	-1.0	-52.16	318.21	-4.94	-57.10
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031902973	0	36	-1.0	-61.51	335.39	-3.99	-65.50
CC1=C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C(C)C)=N1	REAL300031903016	1	46	-1.0	-49.88	391.87	-0.03	-49.91
O=C(CN1[N-]C=C2C1=NC=NC2=O)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031903153	0	40	-1.0	-58.05	365.93	-0.39	-58.44
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300031904973	0	33	-1.0	-53.12	309.71	-3.59	-56.71
C[PH](C)([O-])C(=O)C(=O)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031904978	0	38	-1.0	-47.31	343.42	-1.61	-48.92
CN1[N-]C(CC(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031904981	0	39	-1.0	-67.10	353.13	-1.24	-68.34
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=CN([O-])C1=O	REAL300031905032	0	36	-1.0	-59.67	329.92	0.65	-59.02
CSC1=NC=C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031905058	1	38	-1.0	-49.35	356.14	-1.55	-50.90
CC1=C([O-])N=C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300031905086	1	35	-1.0	-50.10	330.91	-2.91	-53.01
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300031905110	1	35	-1.0	-50.02	339.88	-0.31	-50.33
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC(=O)N([O-])C=C1	REAL300031905138	0	36	-1.0	-64.16	329.66	1.19	-62.97
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300031905213	0	36	-1.0	-79.35	326.73	2.22	-77.13
O=C(C[N-]C(=O)C(F)(F)F)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031905431	0	35	-1.0	-53.42	339.83	-3.70	-57.12
NC1=NC([O-])=C(CC(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300031905432	0	37	-1.0	-67.87	347.99	-3.81	-71.68
O=C(CC1=NC([O-])=CS1)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031905511	0	35	-1.0	-75.98	336.22	-3.67	-79.65
CCC1=NC=C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031905543	1	40	-1.0	-48.85	354.90	-1.06	-49.91
O=C(CN1N=CC(=O)[N-]C1=O)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031905557	0	37	-1.0	-62.45	340.39	-4.56	-67.01
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=C(Cl)C(=O)[N-]S1	REAL300031905657	0	32	-1.0	-54.91	327.30	-2.29	-57.20
COCC1=NC=C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300031905797	0	41	-1.0	-49.93	367.83	-2.81	-52.74
COCC1=NC=C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031905797	1	41	-1.0	-49.93	367.83	-2.81	-52.74
O=C(N[C@H]1C[C@@H](NC(=O)C2=CN=C(CC3CC3)NC2=O)C1)C1=NSNC1=O	REAL300031905812	0	44	-1.0	-43.22	382.59	1.25	-41.97
O=C(N[C@H]1C[C@@H](NC(=O)C2=CN=C(CC3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300031905812	1	44	-1.0	-43.22	382.59	1.25	-41.97
CC1=CC(=O)C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031905920	0	37	-1.0	-52.36	333.08	0.74	-51.62
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]1	REAL300031905943	0	32	-1.0	-56.88	304.20	-5.05	-61.93
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300031905974	1	37	-1.0	-46.65	341.57	-0.01	-46.66
CC1=NC2=NC=C(C(=O)N[C@H]3C[C@@H](NC(=O)C4=NSNC4=O)C3)C(=O)N2[N-]1	REAL300031906010	0	40	-1.0	-43.64	358.79	2.43	-41.21
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300031906137	0	35	-1.0	-61.63	339.76	-1.46	-63.09
COC1=NC(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300031906158	0	38	-1.0	-58.78	350.46	-5.59	-64.37
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=NC=CC=C1[O-]	REAL300031906412	1	35	-1.0	-59.85	318.70	0.58	-59.27
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031906543	1	41	-1.0	-63.84	371.38	-1.39	-65.23
CC(=O)[N-]C1=NC(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)=CS1	REAL300031906561	1	38	-1.0	-48.46	359.86	-2.02	-50.48
O=C(N[C@H]1C[C@@H](NC(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300031906602	0	34	-1.0	-52.16	318.21	-4.94	-57.10
COC1=C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031906672	1	39	-1.0	-49.26	351.98	-3.62	-52.88
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031906883	0	36	-1.0	-61.51	335.39	-3.99	-65.50
O=C(CN1[N-]C=C2C1=NC=NC2=O)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031906953	0	40	-1.0	-58.05	365.93	-0.39	-58.44
O=C(CCCN1C(=O)[N-]NC1=O)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031908149	0	42	-1.0	-61.79	377.90	-2.79	-64.58
CC(C)CN1[N-]C(CC(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031908360	0	48	-1.0	-59.95	409.35	1.70	-58.25
O=C(N[C@H]1C[C@@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300031908420	1	41	-1.0	-50.19	365.73	-0.40	-50.59
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031908673	0	41	-1.0	-44.53	371.96	-2.16	-46.69
CC1=C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C(C)C)=N1	REAL300031909228	1	46	-1.0	-49.88	391.87	-0.03	-49.91
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031909575	0	40	-1.0	-59.93	365.63	-5.53	-65.46
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300031909585	0	38	-1.0	-52.61	349.59	2.49	-50.12
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC(Cl)=CC=C1[O-]	REAL300031909604	1	36	-1.0	-64.59	341.25	2.06	-62.53
N#CC1=CC([O-])=CC(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)=C1	REAL300031909645	1	37	-1.0	-49.90	347.57	0.30	-49.60
NC1=CC=C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)C([O-])=C1Cl	REAL300031909682	0	38	-1.0	-62.48	349.99	0.78	-61.70
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300031909754	0	38	-1.0	-66.80	347.50	3.54	-63.26
CCC1=NC=C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031909793	1	40	-1.0	-48.85	354.90	-1.06	-49.91
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=COC(=O)[N-]1	REAL300031909823	1	32	-1.0	-51.35	304.91	-4.59	-55.94
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=CC([O-])=C1[N+](=O)[O-]	REAL300031909920	0	38	-1.0	-66.31	350.63	2.50	-63.81
O=C(C[N-]C(=O)C(F)(F)F)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031909940	0	35	-1.0	-53.42	339.83	-3.70	-57.12
NC1=NC([O-])=C(CC(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300031909941	0	37	-1.0	-67.87	347.99	-3.81	-71.68
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=C(F)C=C([O-])C=C1F	REAL300031909954	0	36	-1.0	-51.97	342.96	-0.10	-52.07
NC1=CC(=O)[N-]C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)=N1	REAL300031910971	0	36	-1.0	-59.66	328.55	-3.60	-63.26
N#CC1=CN(CC(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]C1=O	REAL300031910987	0	39	-1.0	-62.73	367.08	-2.08	-64.81
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(Cl)=C1	REAL300031911064	0	36	-1.0	-46.39	339.67	1.26	-45.13
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC(F)=CC=C1[O-]	REAL300031911073	1	36	-1.0	-63.96	330.94	1.61	-62.35
CC1=CC=NC(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300031911189	1	38	-1.0	-59.36	339.03	1.27	-58.09
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300031911258	0	36	-1.0	-61.51	343.83	2.84	-58.67
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CN=CC([O-])=C1	REAL300031911400	1	35	-1.0	-55.52	316.40	-1.30	-56.82
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=CC(=S)N1[O-]	REAL300031911416	0	36	-1.0	-93.57	340.92	2.51	-91.06
O=C(N[C@H]1C[C@@H](NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300031911591	1	44	-1.0	-44.14	378.52	0.80	-43.34
NC1=CC(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)=CC([O-])=C1Cl	REAL300031911610	1	38	-1.0	-45.89	350.06	-1.03	-46.92
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(Cl)=N1	REAL300031911615	0	35	-1.0	-43.93	334.74	-0.75	-44.68
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031911693	0	40	-1.0	-49.25	359.15	0.70	-48.55
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C=C1Cl	REAL300031911700	1	36	-1.0	-49.34	336.12	1.21	-48.13
N#CC1=CC(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)=C([O-])C=C1N	REAL300031911703	0	39	-1.0	-53.71	355.19	0.56	-53.15
O=C(CC1=NC([O-])=CS1)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031911718	0	35	-1.0	-75.98	336.22	-3.67	-79.65
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=C([O-])C=CC=C1F	REAL300031911746	1	36	-1.0	-61.14	336.45	-0.10	-61.24
O=C(CN1[N-]C(=O)C=CC1=O)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031911750	0	38	-1.0	-54.59	348.45	-2.30	-56.89
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C(F)C=C1[O-]	REAL300031911755	0	36	-1.0	-68.50	330.95	1.62	-66.88
CC1=CC=C(F)C([O-])=C1C(=O)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031911815	0	39	-1.0	-55.71	352.83	1.18	-54.53
O=C(CC1SC(=O)[N-]C1=O)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031911930	0	36	-1.0	-54.80	343.78	-4.45	-59.25
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(F)=C1F	REAL300031911964	0	36	-1.0	-52.93	334.26	0.83	-52.10
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300031911968	1	37	-1.0	-37.35	343.08	-0.52	-37.87
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=CC(Cl)=C1[O-]	REAL300031911975	0	36	-1.0	-64.21	335.24	2.63	-61.58
CC1=CC(=O)C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031912019	0	37	-1.0	-52.36	333.08	0.74	-51.62
O=C(C=C([O-])C1=CC=C(O)C=C1)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031912024	0	41	-1.0	-70.49	368.24	0.05	-70.44
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300031912063	0	36	-1.0	-79.35	326.73	2.22	-77.13
N#CC1=CC=C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031912113	0	36	-1.0	-44.09	339.66	-1.57	-45.66
O=C(COC1=NC(=O)[N-]C(=O)N1)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031912114	0	38	-1.0	-53.67	353.54	-6.73	-60.40
O=C(COC1=NC(=O)NC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031912114	1	38	-1.0	-47.71	353.50	-6.67	-54.38
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300031912146	0	38	-1.0	-45.25	350.23	1.98	-43.27
CN1N=C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031912196	0	35	-1.0	-59.84	326.96	-3.37	-63.21
[N-]=[N+]=NC1=CC(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)=CC=C1[O-]	REAL300031912243	0	38	-1.0	-47.83	351.41	-1.48	-49.31
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=C(F)C=CC(O)=C1O	REAL300031912290	0	37	-1.0	-62.36	347.17	-2.02	-64.38
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=C(F)C=CC(O)=C1[O-]	REAL300031912290	1	37	-1.0	-62.36	347.17	-2.02	-64.38
N#CC1=CC=C([O-])C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)=C1	REAL300031912305	0	37	-1.0	-61.10	345.36	1.95	-59.15
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)NC1=O	REAL300031912468	0	36	-1.0	-53.41	335.25	-1.89	-55.30
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300031912512	0	36	-1.0	-52.49	344.02	2.87	-49.62
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C(F)C([O-])=C1	REAL300031912552	1	36	-1.0	-60.32	329.86	0.72	-59.60
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300031912562	1	41	-1.0	-78.71	365.30	2.02	-76.69
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300031912566	0	38	-1.0	-65.85	352.72	2.23	-63.62
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300031912570	0	38	-1.0	-56.28	352.70	2.21	-54.07
O=C([N-][C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C(F)(F)C(F)(F)F	REAL300031912572	1	31	-1.0	-42.72	308.64	-0.45	-43.17
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C(Cl)C=C1[O-]	REAL300031912584	1	36	-1.0	-67.91	341.28	2.08	-65.83
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300031912616	0	38	-1.0	-41.72	351.90	1.30	-40.42
O=C(N[C@H]1C[C@@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300031912725	0	34	-1.0	-47.67	319.79	-5.93	-53.60
O=C(N[C@H]1C[C@@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300031912725	1	34	-1.0	-42.37	320.44	-5.17	-47.54
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C2N=NN([O-])C2=C1	REAL300031912776	0	38	-1.0	-71.48	348.93	-1.02	-72.50
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300031912825	1	41	-1.0	-65.29	363.96	2.91	-62.38
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=C(Cl)C(=O)[N-]S1	REAL300031912826	0	32	-1.0	-54.91	327.30	-2.29	-57.20
NC1=NC=C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031912855	1	36	-1.0	-49.52	328.21	-2.73	-52.25
CC1=C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)[N-]C(=O)C(C#N)=C1	REAL300031912898	0	39	-1.0	-40.92	356.55	-0.20	-41.12
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C(F)C([O-])=C1F	REAL300031912927	0	36	-1.0	-72.13	337.26	0.07	-72.06
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300031913000	0	36	-1.0	-47.58	345.82	1.31	-46.27
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300031913009	1	37	-1.0	-46.65	341.57	-0.01	-46.66
COC1=NC(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300031913016	0	38	-1.0	-58.78	350.46	-5.59	-64.37
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC=C3N[N-]N=C3C2=O)C1)C1=NSNC1=O	REAL300031913019	0	38	-1.0	-61.59	339.72	0.44	-61.15
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=NC=CC(Cl)=C1[O-]	REAL300031913032	0	35	-1.0	-59.75	332.63	0.92	-58.83
O=C(CC1=CC=C([O-])C(Cl)=C1)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031913039	1	39	-1.0	-68.69	367.37	1.16	-67.53
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C(Cl)C([O-])=C1	REAL300031913091	0	36	-1.0	-56.21	339.66	1.21	-55.00
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=NC=C1[O-]	REAL300031913103	1	35	-1.0	-63.05	314.49	0.28	-62.77
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300031913113	0	32	-1.0	-52.10	299.13	-2.58	-54.68
CC1=C([O-])N=C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300031913164	1	35	-1.0	-50.10	330.91	-2.91	-53.01
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300031913245	1	42	-1.0	-72.36	369.46	3.89	-68.47
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300031913254	1	42	-1.0	-72.79	365.23	4.37	-68.42
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C([O-])C=C1	REAL300031913314	1	38	-1.0	-51.66	343.65	0.51	-51.15
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300031913354	0	35	-1.0	-61.63	339.76	-1.46	-63.09
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300031913392	1	35	-1.0	-50.02	339.88	-0.31	-50.33
CSC1=NC=C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031913423	1	38	-1.0	-49.35	356.14	-1.55	-50.90
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC(=O)NC([O-])=C1	REAL300031913433	0	36	-1.0	-45.86	327.47	-3.88	-49.74
CCN1[N-]C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031913532	0	39	-1.0	-51.42	351.22	-0.20	-51.62
O=C(CNC(=O)C1=NC=CC=C1[O-])N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031913544	1	42	-1.0	-62.54	375.39	-1.08	-63.62
CN1[N-]C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031913558	0	36	-1.0	-55.92	332.55	-1.89	-57.81
O=C(N[C@H]1C[C@@H](NC(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1)C1=NSNC1=O	REAL300031913572	1	39	-1.0	-71.78	349.91	-0.93	-72.71
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031913577	0	36	-1.0	-59.30	346.70	-3.76	-63.06
CC1=C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300031913579	1	38	-1.0	-67.40	360.17	-2.48	-69.88
CC1=C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C2CC2)=N1	REAL300031913590	1	44	-1.0	-50.43	382.06	0.18	-50.25
O=C(CC1=CC(=O)N[N-]1)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031913785	1	36	-1.0	-65.25	330.40	-2.96	-68.21
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(F)=C1	REAL300031913792	1	36	-1.0	-61.09	332.87	0.02	-61.07
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC(F)=C([O-])C(F)=C1	REAL300031913866	0	36	-1.0	-59.28	339.08	0.10	-59.18
O=C(N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1)C1=CC=NC(Cl)=C1[O-]	REAL300031913872	0	35	-1.0	-66.37	335.99	0.19	-66.18
CC1=C(CC(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300031913897	0	42	-1.0	-56.91	370.96	0.21	-56.70
O=C(CCC(=O)C1=CC=C([O-])C=C1)N[C@H]1C[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300031913909	1	44	-1.0	-55.87	389.75	2.00	-53.87
CC1=CN=C(C(=O)N[C@H]2C[C@@H](NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300031913953	1	38	-1.0	-67.94	343.20	0.47	-67.47
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300031916168	0	40	-1.0	-59.93	348.87	-3.03	-62.96
O=C(CN1C(=O)[N-]NC1=O)NCC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031916252	0	42	-1.0	-60.62	363.52	-1.52	-62.14
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)C=C1	REAL300031916843	0	42	-1.0	-70.87	360.48	2.97	-67.90
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)NC([O-])=C1	REAL300031916957	0	42	-1.0	-57.26	360.41	-1.81	-59.07
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=COC(=O)[N-]1	REAL300031916968	1	38	-1.0	-61.16	332.48	-1.97	-63.13
CCN1[N-]C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031917138	0	45	-1.0	-60.71	382.39	1.53	-59.18
O=C(CC1=CC(=O)N[N-]1)NCC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031917146	1	42	-1.0	-62.41	357.98	-0.33	-62.74
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=S)N1[O-]	REAL300031917164	0	42	-1.0	-84.67	368.40	5.10	-79.57
O=C(CC1SC(=O)[N-]C1=O)NCC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031917173	0	42	-1.0	-54.30	371.62	-1.97	-56.27
CN1N=C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031917189	0	41	-1.0	-63.15	355.17	-0.90	-64.05
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=C[N-]N=CC1=O	REAL300031917278	0	40	-1.0	-54.42	341.53	1.19	-53.23
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300031917377	0	39	-1.0	-57.88	337.31	-0.98	-58.86
C[PH](C)([O-])C(=O)C(=O)NCC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031917382	0	44	-1.0	-56.72	375.58	0.32	-56.40
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CN([O-])C1=O	REAL300031917413	0	42	-1.0	-76.92	357.40	3.24	-73.68
CC1SC(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300031917441	0	41	-1.0	-67.64	364.39	-0.99	-68.63
CC1=C([O-])N=C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300031917441	1	41	-1.0	-67.64	364.39	-0.99	-68.63
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)N1	REAL300031917455	0	41	-1.0	-54.40	367.47	2.32	-52.08
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300031917455	1	41	-1.0	-54.40	367.47	2.32	-52.08
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N([O-])C=C1	REAL300031917472	0	42	-1.0	-71.96	360.85	2.95	-69.01
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300031917505	0	42	-1.0	-82.32	357.29	4.06	-78.26
NC1=NC([O-])=C(CC(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300031917628	0	43	-1.0	-73.79	378.65	-1.92	-75.71
O=C(CC1=NC([O-])=CS1)NCC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031917673	0	41	-1.0	-72.71	363.83	-1.05	-73.76
CCC1=NC=C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300031917691	0	46	-1.0	-61.74	382.12	1.51	-60.23
CCC1=NC=C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031917691	1	46	-1.0	-61.74	382.12	1.51	-60.23
CC1=CC(=O)C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031917902	0	43	-1.0	-61.15	366.03	2.83	-58.32
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]1	REAL300031917917	0	38	-1.0	-60.46	332.33	-2.56	-63.02
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300031918028	0	41	-1.0	-68.40	373.22	0.47	-67.93
COC1=NC(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300031918041	0	44	-1.0	-60.07	378.56	-3.10	-63.17
O=C(NCC1CCCN(C(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300031918297	1	41	-1.0	-61.25	349.18	2.70	-58.55
O=C(NCC1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300031918420	0	40	-1.0	-55.15	348.77	-3.14	-58.29
O=C(CN1C(=O)[N-]NC1=O)N1CCCC(CNC(=O)C2=NSNC2=O)C1	REAL300031918580	0	42	-1.0	-55.76	365.78	-1.63	-57.39
O=C(NCC1CCCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=NSNC1=O	REAL300031919899	1	42	-1.0	-57.57	373.77	2.86	-54.71
N#CC1=CC([O-])=CC(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)=C1	REAL300031919924	1	43	-1.0	-44.62	376.66	2.31	-42.31
CCC1=NC=C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031920007	1	46	-1.0	-57.28	391.10	0.87	-56.41
O=C(NCC1CCCN(C(=O)C2=COC(=O)[N-]2)C1)C1=NSNC1=O	REAL300031920025	1	38	-1.0	-49.12	332.16	-0.87	-49.99
O=C(C[N-]C(=O)C(F)(F)F)N1CCCC(CNC(=O)C2=NSNC2=O)C1	REAL300031920092	0	41	-1.0	-49.49	370.29	-1.34	-50.83
NC1=NC([O-])=C(CC(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)S1	REAL300031920093	0	43	-1.0	-67.27	381.39	-2.14	-69.41
O=C(NCC1CCCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=NSNC1=O	REAL300031920102	0	42	-1.0	-49.30	373.92	2.29	-47.01
O=C(NCC1CCCN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=NSNC1=O	REAL300031920117	1	42	-1.0	-54.02	364.79	2.12	-51.90
O=C(NCC1CCCN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=NSNC1=O	REAL300031920123	0	41	-1.0	-51.66	359.35	1.47	-50.19
N#CC1=CC=C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)C=C1[O-]	REAL300031920130	1	43	-1.0	-57.83	377.15	2.44	-55.39
O=C(NCC1CCCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=NSNC1=O	REAL300031920133	0	41	-1.0	-55.11	366.43	1.76	-53.35
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCC(CNC(=O)C2=NSNC2=O)C1	REAL300031920149	0	43	-1.0	-59.60	376.13	-2.75	-62.35
CC1=CC=C([O-])C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)=N1	REAL300031920209	1	44	-1.0	-62.20	373.36	2.73	-59.47
O=C(NCC1CCCN(C(=O)C2=C[N-]N=CC2=O)C1)C1=NSNC1=O	REAL300031920227	0	40	-1.0	-45.00	344.72	0.50	-44.50
O=C(NCC1CCCN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=NSNC1=O	REAL300031920236	0	42	-1.0	-66.70	360.64	3.26	-63.44
O=C(NCC1CCCN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=NSNC1=O	REAL300031920322	1	42	-1.0	-64.99	360.95	2.05	-62.94
O=C(NCC1CCCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300031920420	0	39	-1.0	-49.87	337.04	-0.91	-50.78
C[PH](C)([O-])C(=O)C(=O)N1CCCC(CNC(=O)C2=NSNC2=O)C1	REAL300031920426	0	44	-1.0	-48.81	375.92	-0.09	-48.90
O=C(NCC1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=NSNC1=O	REAL300031920513	0	42	-1.0	-64.44	366.98	2.71	-61.73
O=C(NCC1CCCN(C(=O)C2=NNC(=O)[N-]2)C1)C1=NSNC1=O	REAL300031920537	0	38	-1.0	-53.61	331.73	-2.41	-56.02
O=C(NCC1CCCN(C(=O)C2=C(O)C=CC=C2Cl)C1)C1=NSNC1=O	REAL300031920540	0	42	-1.0	-57.43	376.80	2.65	-54.78
O=C(NCC1CCCN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=NSNC1=O	REAL300031920540	1	42	-1.0	-57.43	376.80	2.65	-54.78
O=C(NCC1CCCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=NSNC1=O	REAL300031920544	0	42	-1.0	-73.80	366.31	2.68	-71.12
O=C(NCC1CCCN(C(=O)C2=C(F)C=CC(O)=C2F)C1)C1=NSNC1=O	REAL300031920573	0	42	-1.0	-55.67	373.65	2.24	-53.43
O=C(NCC1CCCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=NSNC1=O	REAL300031920573	1	42	-1.0	-55.67	373.65	2.24	-53.43
O=C(NCC1CCCN(C(=O)C2=CC(F)=CC=C2O)C1)C1=NSNC1=O	REAL300031920708	0	42	-1.0	-57.03	363.44	2.42	-54.61
O=C(NCC1CCCN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=NSNC1=O	REAL300031920708	1	42	-1.0	-57.03	363.44	2.42	-54.61
CC1=CC=NC(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)=C1O	REAL300031920771	0	44	-1.0	-60.89	372.14	2.84	-58.05
CC1=CC=NC(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300031920771	1	44	-1.0	-60.89	372.14	2.84	-58.05
O=C(NCC1CCCN(C(=O)C2=CN=CC(O)=C2)C1)C1=NSNC1=O	REAL300031920875	0	41	-1.0	-55.81	351.53	0.11	-55.70
O=C(NCC1CCCN(C(=O)C2=CN=CC([O-])=C2)C1)C1=NSNC1=O	REAL300031920875	1	41	-1.0	-55.81	351.53	0.11	-55.70
O=C(NCC1CCCN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=NSNC1=O	REAL300031920885	0	42	-1.0	-82.98	372.98	3.98	-79.00
O=C(NCC1CCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=NSNC1=O	REAL300031920992	0	41	-1.0	-46.74	367.57	1.55	-45.19
O=C(NCC1CCCN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=NSNC1=O	REAL300031921030	1	42	-1.0	-52.90	373.42	2.55	-50.35
O=C(CC1=NC([O-])=CS1)N1CCCC(CNC(=O)C2=NSNC2=O)C1	REAL300031921041	0	41	-1.0	-68.59	366.63	-1.27	-69.86
O=C(NCC1CCCN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=NSNC1=O	REAL300031921056	0	42	-1.0	-57.31	367.31	2.26	-55.05
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCC(CNC(=O)C2=NSNC2=O)C1	REAL300031921058	0	44	-1.0	-56.19	381.84	-0.65	-56.84
O=C(NCC1CCCN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=NSNC1=O	REAL300031921059	0	42	-1.0	-59.92	364.54	2.45	-57.47
CC1=CC=C(F)C([O-])=C1C(=O)N1CCCC(CNC(=O)C2=NSNC2=O)C1	REAL300031921089	0	45	-1.0	-62.21	386.77	2.83	-59.38
O=C(CC1SC(=O)[N-]C1=O)N1CCCC(CNC(=O)C2=NSNC2=O)C1	REAL300031921151	0	42	-1.0	-52.75	374.20	-2.00	-54.75
O=C(NCC1CCCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=NSNC1=O	REAL300031921176	0	42	-1.0	-50.43	366.95	2.08	-48.35
O=C(NCC1CCCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300031921182	0	42	-1.0	-61.22	370.45	3.74	-57.48
CC1=CC(=O)C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031921210	0	43	-1.0	-52.40	365.96	2.74	-49.66
O=C(NCC1CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=NSNC1=O	REAL300031921235	0	42	-1.0	-79.18	362.00	3.14	-76.04
N#CC1=CC=C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031921263	0	42	-1.0	-45.38	370.76	0.28	-45.10
CN1N=C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031921309	0	41	-1.0	-56.57	354.56	-0.78	-57.35
O=C(NCC1CCCN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C1=NSNC1=O	REAL300031921358	0	43	-1.0	-59.44	378.02	0.34	-59.10
O=C(NCC1CCCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=NSNC1=O	REAL300031921358	1	43	-1.0	-59.44	378.02	0.34	-59.10
N#CC1=CC=C([O-])C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)=C1	REAL300031921367	0	43	-1.0	-54.22	377.88	2.76	-51.46
O=C(NCC1CCCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=NSNC1=O	REAL300031921450	0	42	-1.0	-52.71	366.30	-0.04	-52.75
O=C(NCC1CCCN(C(=O)C2=CC=C(F)C(O)=C2)C1)C1=NSNC1=O	REAL300031921501	0	42	-1.0	-54.85	363.17	2.05	-52.80
O=C(NCC1CCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=NSNC1=O	REAL300031921501	1	42	-1.0	-54.85	363.17	2.05	-52.80
O=C(NCC1CCCN(C(=O)C2=CC=C(Cl)C=C2O)C1)C1=NSNC1=O	REAL300031921519	0	42	-1.0	-59.59	374.86	2.89	-56.70
O=C(NCC1CCCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=NSNC1=O	REAL300031921519	1	42	-1.0	-59.59	374.86	2.89	-56.70
O=C(NCC1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300031921586	0	40	-1.0	-51.91	350.33	-3.38	-55.29
O=C(NCC1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300031921586	1	40	-1.0	-45.68	350.93	-2.61	-48.29
NC1=NC=C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031921640	1	42	-1.0	-57.86	364.47	-0.80	-58.66
O=C(NCC1CCCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1)C1=NSNC1=O	REAL300031921673	0	42	-1.0	-63.72	369.77	2.13	-61.59
COC1=NC(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300031921715	0	44	-1.0	-54.51	375.66	-2.39	-56.90
O=C(NCC1CCCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300031921724	0	41	-1.0	-57.47	368.02	2.66	-54.81
O=C(NCC1CCCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1)C1=NSNC1=O	REAL300031921762	0	42	-1.0	-51.00	372.96	2.54	-48.46
O=C(NCC1CCCN(C(=O)C2=CC=NC=C2[O-])C1)C1=NSNC1=O	REAL300031921771	0	41	-1.0	-60.01	353.27	0.48	-59.53
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NSNC1=O	REAL300031921777	0	38	-1.0	-54.73	331.73	-0.97	-55.70
CC1=C([O-])N=C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)S1	REAL300031921799	1	41	-1.0	-55.04	364.04	-0.17	-55.21
O=C(NCC1CCCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=NSNC1=O	REAL300031921891	1	44	-1.0	-52.51	383.56	2.06	-50.45
O=C(NCC1CCCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=NSNC1=O	REAL300031921910	0	41	-1.0	-65.04	372.37	0.02	-65.02
O=C(NCC1CCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=NSNC1=O	REAL300031921931	1	41	-1.0	-47.01	369.02	2.44	-44.57
O=C(NCC1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=NSNC1=O	REAL300031921951	0	42	-1.0	-49.17	367.08	-2.19	-51.36
CCN1[N-]C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031922008	0	45	-1.0	-53.22	381.59	1.70	-51.52
CN1[N-]C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031922027	0	42	-1.0	-52.46	359.78	0.77	-51.69
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CNC(=O)C2=NSNC2=O)C1	REAL300031922037	0	42	-1.0	-54.84	377.11	-1.30	-56.14
O=C(CC1=CC(=O)N[N-]1)N1CCCC(CNC(=O)C2=NSNC2=O)C1	REAL300031922164	1	42	-1.0	-58.49	360.73	-0.56	-59.05
O=C(NCC1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300031922169	1	42	-1.0	-54.96	363.13	2.09	-52.87
O=C(NCC1CCCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300031922215	0	42	-1.0	-55.49	369.35	2.14	-53.35
O=C(NCC1CCCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300031922220	0	41	-1.0	-59.34	365.74	1.79	-57.55
CC1=C(CC(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300031922235	0	48	-1.0	-59.90	403.66	1.86	-58.04
CC1=CN=C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300031922271	1	44	-1.0	-62.55	370.61	3.34	-59.21
O=C(NCC1CCCN(C(=O)C2=CC([O-])=CS2)C1)C1=NSNC1=O	REAL300031922292	0	39	-1.0	-61.00	346.46	0.89	-60.11
O=C(NCC1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=NSNC1=O	REAL300031922308	0	42	-1.0	-63.28	367.06	2.69	-60.59
CN1[N-]C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031922460	0	42	-1.0	-60.02	360.66	0.59	-59.43
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031922467	0	42	-1.0	-59.87	374.02	-1.18	-61.05
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)[N-]C(=O)N1	REAL300031922616	0	40	-1.0	-62.65	350.97	-4.16	-66.81
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)NC(=O)[N-]1	REAL300031922616	1	40	-1.0	-55.98	351.07	-3.27	-59.25
O=C(CN1[N-]C(=O)C=CC1=O)NCC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031922755	0	44	-1.0	-60.83	379.09	-0.38	-61.21
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300031922762	0	38	-1.0	-61.83	332.59	-0.63	-62.46
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)NC1=O	REAL300031922773	0	42	-1.0	-59.27	362.80	0.73	-58.54
O=C(NCC1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300031923974	0	40	-1.0	-55.15	348.77	-3.14	-58.29
O=C(CN1C(=O)[N-]NC1=O)N1CCCC(CNC(=O)C2=NSNC2=O)C1	REAL300031924058	0	42	-1.0	-55.76	365.78	-1.63	-57.39
O=C(NCC1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=NSNC1=O	REAL300031924649	0	42	-1.0	-63.28	367.06	2.69	-60.59
O=C(NCC1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=NSNC1=O	REAL300031924763	0	42	-1.0	-49.17	367.08	-2.19	-51.36
O=C(NCC1CCCN(C(=O)C2=COC(=O)[N-]2)C1)C1=NSNC1=O	REAL300031924774	1	38	-1.0	-49.12	332.16	-0.87	-49.99
CCN1[N-]C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031924944	0	45	-1.0	-53.22	381.59	1.70	-51.52
O=C(CC1=CC(=O)N[N-]1)N1CCCC(CNC(=O)C2=NSNC2=O)C1	REAL300031924952	1	42	-1.0	-58.49	360.73	-0.56	-59.05
O=C(NCC1CCCN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=NSNC1=O	REAL300031924970	0	42	-1.0	-82.98	372.98	3.98	-79.00
O=C(CC1SC(=O)[N-]C1=O)N1CCCC(CNC(=O)C2=NSNC2=O)C1	REAL300031924979	0	42	-1.0	-52.75	374.20	-2.00	-54.75
CN1N=C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031924995	0	41	-1.0	-56.57	354.56	-0.78	-57.35
O=C(NCC1CCCN(C(=O)C2=C[N-]N=CC2=O)C1)C1=NSNC1=O	REAL300031925084	0	40	-1.0	-45.00	344.72	0.50	-44.50
O=C(NCC1CCCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300031925183	0	39	-1.0	-49.87	337.04	-0.91	-50.78
C[PH](C)([O-])C(=O)C(=O)N1CCCC(CNC(=O)C2=NSNC2=O)C1	REAL300031925188	0	44	-1.0	-48.81	375.92	-0.09	-48.90
O=C(NCC1CCCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=NSNC1=O	REAL300031925219	0	42	-1.0	-73.80	366.31	2.68	-71.12
CC1SC(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)=NC1=O	REAL300031925247	0	41	-1.0	-55.04	364.04	-0.17	-55.21
CC1=C([O-])N=C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)S1	REAL300031925247	1	41	-1.0	-55.04	364.04	-0.17	-55.21
O=C(NCC1CCCN(C(=O)C2=CC(=O)C=C(Cl)N2)C1)C1=NSNC1=O	REAL300031925261	0	41	-1.0	-47.01	369.02	2.44	-44.57
O=C(NCC1CCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=NSNC1=O	REAL300031925261	1	41	-1.0	-47.01	369.02	2.44	-44.57
O=C(NCC1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=NSNC1=O	REAL300031925278	0	42	-1.0	-64.44	366.98	2.71	-61.73
O=C(NCC1CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=NSNC1=O	REAL300031925311	0	42	-1.0	-79.18	362.00	3.14	-76.04
NC1=NC([O-])=C(CC(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)S1	REAL300031925434	0	43	-1.0	-67.27	381.39	-2.14	-69.41
O=C(CC1=NC([O-])=CS1)N1CCCC(CNC(=O)C2=NSNC2=O)C1	REAL300031925479	0	41	-1.0	-68.59	366.63	-1.27	-69.86
CCC1=NC=C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300031925497	0	46	-1.0	-57.28	391.10	0.87	-56.41
CCC1=NC=C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031925497	1	46	-1.0	-57.28	391.10	0.87	-56.41
CC1=CC(=O)C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031925708	0	43	-1.0	-52.40	365.96	2.74	-49.66
O=C(NCC1CCCN(C(=O)C2=NNC(=O)[N-]2)C1)C1=NSNC1=O	REAL300031925723	0	38	-1.0	-53.61	331.73	-2.41	-56.02
O=C(NCC1CCCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=NSNC1=O	REAL300031925834	0	41	-1.0	-65.04	372.37	0.02	-65.02
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=NC=CC=C1[O-]	REAL300031926103	1	41	-1.0	-67.95	349.35	2.48	-65.47
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300031926226	0	40	-1.0	-59.93	348.87	-3.03	-62.96
O=C(CN1C(=O)[N-]NC1=O)NCC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031926386	0	42	-1.0	-60.62	363.52	-1.52	-62.14
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(Cl)=CC=C1[O-]	REAL300031927705	1	42	-1.0	-63.94	369.40	4.56	-59.38
N#CC1=CC([O-])=CC(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)=C1	REAL300031927730	1	43	-1.0	-57.51	374.88	2.87	-54.64
CCC1=NC=C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031927813	1	46	-1.0	-61.74	382.12	1.51	-60.23
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=COC(=O)[N-]1	REAL300031927831	1	38	-1.0	-61.16	332.48	-1.97	-63.13
O=C(C[N-]C(=O)C(F)(F)F)NCC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031927898	0	41	-1.0	-55.68	367.95	-1.23	-56.91
NC1=NC([O-])=C(CC(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300031927899	0	43	-1.0	-73.79	378.65	-1.92	-75.71
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=C(F)C=C([O-])C=C1F	REAL300031927908	0	42	-1.0	-56.18	371.08	2.37	-53.81
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C=C1F	REAL300031927923	1	42	-1.0	-59.77	359.35	2.50	-57.27
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC([O-])=CC(=O)O1	REAL300031927929	0	41	-1.0	-59.80	357.62	1.79	-58.01
N#CC1=CC=C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)C=C1[O-]	REAL300031927936	1	43	-1.0	-62.00	374.98	2.84	-59.16
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(Cl)=NC=C1[O-]	REAL300031927939	0	41	-1.0	-60.23	364.82	2.65	-57.58
O=C(CN1N=CC(=O)[N-]C1=O)NCC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031927955	0	43	-1.0	-64.11	373.32	-2.49	-66.60
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=C[N-]N=CC1=O	REAL300031928033	0	40	-1.0	-54.42	341.53	1.19	-53.23
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(F)=C1[O-]	REAL300031928042	0	42	-1.0	-70.80	358.89	4.11	-66.69
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC([O-])=C1F	REAL300031928128	1	42	-1.0	-68.87	359.21	2.48	-66.39
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300031928226	0	39	-1.0	-57.88	337.31	-0.98	-58.86
C[PH](C)([O-])C(=O)C(=O)NCC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031928232	0	44	-1.0	-56.72	375.58	0.32	-56.40
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N([O-])C=C1	REAL300031928319	0	42	-1.0	-71.96	360.85	2.95	-69.01
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)N[N-]1	REAL300031928343	0	38	-1.0	-59.42	332.44	-2.41	-61.83
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=C(O)C=CC=C1Cl	REAL300031928346	0	42	-1.0	-65.60	373.52	2.90	-62.70
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C=CC=C1Cl	REAL300031928346	1	42	-1.0	-65.60	373.52	2.90	-62.70
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CN([O-])C1=O	REAL300031928350	0	42	-1.0	-76.92	357.40	3.24	-73.68
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=C(F)C=CC(O)=C1F	REAL300031928379	0	42	-1.0	-63.72	370.94	2.35	-61.37
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=C(F)C=CC([O-])=C1F	REAL300031928379	1	42	-1.0	-63.72	370.94	2.35	-61.37
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(F)=CC=C1O	REAL300031928514	0	42	-1.0	-63.76	359.08	4.10	-59.66
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(F)=CC=C1[O-]	REAL300031928514	1	42	-1.0	-63.76	359.08	4.10	-59.66
CC1=CC=NC(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)=C1O	REAL300031928577	0	44	-1.0	-67.88	370.22	3.03	-64.85
CC1=CC=NC(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300031928577	1	44	-1.0	-67.88	370.22	3.03	-64.85
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN=CC(O)=C1	REAL300031928681	0	41	-1.0	-61.59	349.05	0.73	-60.86
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN=CC([O-])=C1	REAL300031928681	1	41	-1.0	-61.59	349.05	0.73	-60.86
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=S)N1[O-]	REAL300031928691	0	42	-1.0	-84.67	368.40	5.10	-79.57
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(Cl)=N1	REAL300031928798	0	41	-1.0	-56.67	367.66	1.32	-55.35
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(O)C=C1Cl	REAL300031928836	0	42	-1.0	-58.88	367.32	2.94	-55.94
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C=C1Cl	REAL300031928836	1	42	-1.0	-58.88	367.32	2.94	-55.94
O=C(CC1=NC([O-])=CS1)NCC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031928847	0	41	-1.0	-72.71	363.83	-1.05	-73.76
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=C(O)C=CC=C1F	REAL300031928862	0	42	-1.0	-66.32	364.03	2.52	-63.80
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C=CC=C1F	REAL300031928862	1	42	-1.0	-66.32	364.03	2.52	-63.80
O=C(CN1[N-]C(=O)C=CC1=O)NCC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031928864	0	44	-1.0	-60.83	379.09	-0.38	-61.21
O=C(CC1SC(=O)[N-]C1=O)NCC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031928957	0	42	-1.0	-54.30	371.62	-1.97	-56.27
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(F)=C1F	REAL300031928982	0	42	-1.0	-61.13	365.43	2.58	-58.55
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(Cl)=C1[O-]	REAL300031928988	0	42	-1.0	-65.92	368.70	4.57	-61.35
CC1=CC(=O)C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031929016	0	43	-1.0	-61.15	366.03	2.83	-58.32
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300031929041	0	42	-1.0	-82.32	357.29	4.06	-78.26
N#CC1=CC=C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031929069	0	42	-1.0	-57.00	367.16	1.02	-55.98
CN1N=C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031929115	0	41	-1.0	-63.15	355.17	-0.90	-64.05
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=C(F)C=CC(O)=C1O	REAL300031929164	0	43	-1.0	-67.44	375.31	0.45	-66.99
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=C(F)C=CC(O)=C1[O-]	REAL300031929164	1	43	-1.0	-67.44	375.31	0.45	-66.99
N#CC1=CC=C([O-])C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)=C1	REAL300031929173	0	43	-1.0	-61.24	373.50	4.46	-56.78
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)NC1=O	REAL300031929256	0	42	-1.0	-59.27	362.80	0.73	-58.54
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(F)C(O)=C1	REAL300031929307	0	42	-1.0	-66.46	361.05	2.46	-64.00
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(F)C([O-])=C1	REAL300031929307	1	42	-1.0	-66.46	361.05	2.46	-64.00
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(Cl)C=C1O	REAL300031929325	0	42	-1.0	-65.27	369.39	4.56	-60.71
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(Cl)C=C1[O-]	REAL300031929325	1	42	-1.0	-65.27	369.39	4.56	-60.71
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)[N-]C(=O)N1	REAL300031929392	0	40	-1.0	-62.65	350.97	-4.16	-66.81
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)NC(=O)[N-]1	REAL300031929392	1	40	-1.0	-55.98	351.07	-3.27	-59.25
NC1=NC=C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031929446	1	42	-1.0	-62.14	355.43	-0.13	-62.27
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(F)C([O-])=C1F	REAL300031929479	0	42	-1.0	-68.48	365.40	2.55	-65.93
COC1=NC(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300031929521	0	44	-1.0	-60.07	378.56	-3.10	-63.17
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=NC=CC(Cl)=C1[O-]	REAL300031929530	0	41	-1.0	-63.80	366.09	2.85	-60.95
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(Cl)C([O-])=C1	REAL300031929568	0	42	-1.0	-62.47	370.85	2.95	-59.52
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=NC=C1[O-]	REAL300031929577	1	41	-1.0	-65.53	347.95	2.23	-63.30
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300031929583	0	38	-1.0	-61.83	332.59	-0.63	-62.46
CC1=C([O-])N=C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300031929605	1	41	-1.0	-67.64	364.39	-0.99	-68.63
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C([O-])C=C1	REAL300031929697	1	44	-1.0	-59.24	374.54	2.38	-56.86
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300031929716	0	41	-1.0	-68.40	373.22	0.47	-67.93
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300031929737	1	41	-1.0	-54.40	367.47	2.32	-52.08
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)NC([O-])=C1	REAL300031929757	0	42	-1.0	-57.26	360.41	-1.81	-59.07
CCN1[N-]C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031929814	0	45	-1.0	-60.71	382.39	1.53	-59.18
CN1[N-]C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031929833	0	42	-1.0	-60.02	360.66	0.59	-59.43
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031929843	0	42	-1.0	-59.87	374.02	-1.18	-61.05
O=C(CC1=CC(=O)N[N-]1)NCC1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031929970	1	42	-1.0	-62.41	357.98	-0.33	-62.74
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(F)=C1	REAL300031929975	1	42	-1.0	-61.99	361.01	2.49	-59.50
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(F)=C([O-])C(F)=C1	REAL300031930021	0	42	-1.0	-61.92	366.68	2.71	-59.21
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=NC(Cl)=C1[O-]	REAL300031930026	0	41	-1.0	-63.40	364.13	2.68	-60.72
CC1=C(CC(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300031930041	0	48	-1.0	-64.18	400.77	2.08	-62.10
CC1=CN=C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300031930077	1	44	-1.0	-69.36	371.34	2.97	-66.39
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC([O-])=CS1	REAL300031930098	0	39	-1.0	-65.01	346.54	1.48	-63.53
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CN1[N-]C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031930266	0	42	-1.0	-52.46	359.78	0.77	-51.69
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O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CN([O-])C(=O)C=C1	REAL300031932455	0	42	-1.0	-74.13	351.52	3.79	-70.34
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)NC([O-])=C1	REAL300031932569	0	42	-1.0	-56.87	352.19	-1.13	-58.00
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CCN1[N-]C(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300031932750	0	45	-1.0	-65.61	373.63	2.35	-63.26
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CN1N=C(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)[N-]C1=O	REAL300031932801	0	41	-1.0	-68.09	346.32	-0.08	-68.17
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C[PH](C)([O-])C(=O)C(=O)NCC1CCCCN1C(=O)C1=NSNC1=O	REAL300031932994	0	44	-1.0	-62.03	363.14	0.85	-61.18
CN1[N-]C(CC(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300031932997	0	45	-1.0	-71.16	372.62	2.05	-69.11
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CC1=C([O-])N=C(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)S1	REAL300031933053	1	41	-1.0	-64.34	355.61	-0.17	-64.51
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031933067	1	41	-1.0	-57.72	359.18	3.01	-54.71
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)N([O-])C=C1	REAL300031933084	0	42	-1.0	-74.04	352.10	3.78	-70.26
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CC(=O)N1[O-]	REAL300031933117	0	42	-1.0	-94.98	349.30	4.77	-90.21
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NC1=NC([O-])=C(CC(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)S1	REAL300031933240	0	43	-1.0	-86.16	370.41	-1.26	-87.42
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CCC1=NC=C(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031933303	1	46	-1.0	-61.00	374.49	2.25	-58.75
O=C(CN1N=CC(=O)[N-]C1=O)NCC1CCCCN1C(=O)C1=NSNC1=O	REAL300031933312	0	43	-1.0	-73.56	365.10	-1.82	-75.38
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O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=NNC(=O)[N-]1	REAL300031933529	0	38	-1.0	-64.68	323.56	-1.75	-66.43
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CN=C(C=N[O-])S1	REAL300031933640	0	41	-1.0	-67.67	364.45	1.30	-66.37
COC1=NC(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300031933653	0	44	-1.0	-65.68	369.82	-2.28	-67.96
O=C(NCC1CCCCN1C(=O)C1=NC=CC=C1[O-])C1=NSNC1=O	REAL300031933909	1	41	-1.0	-67.10	344.07	2.81	-64.29
O=C(NCC1CCCCN1C(=O)C1=NNC(=O)[N-]C1=O)C1=NSNC1=O	REAL300031934022	0	40	-1.0	-59.29	340.80	-2.45	-61.74
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CCC1=NC=C(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031935352	1	46	-1.0	-51.57	378.86	1.58	-49.99
O=C(NCC1CCCCN1C(=O)C1=COC(=O)[N-]1)C1=NSNC1=O	REAL300031935367	1	38	-1.0	-49.76	323.90	0.04	-49.72
O=C(C[N-]C(=O)C(F)(F)F)N1CCCCC1CNC(=O)C1=NSNC1=O	REAL300031935433	0	41	-1.0	-61.43	363.43	-1.34	-62.77
NC1=NC([O-])=C(CC(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)S1	REAL300031935434	0	43	-1.0	-61.57	372.99	-1.17	-62.74
O=C(NCC1CCCCN1C(=O)C1=CC=C([O-])C=C1F)C1=NSNC1=O	REAL300031935453	1	42	-1.0	-59.93	355.52	2.91	-57.02
O=C(NCC1CCCCN1C(=O)C1=CC([O-])=CC(=O)O1)C1=NSNC1=O	REAL300031935459	0	41	-1.0	-55.74	351.49	2.30	-53.44
N#CC1=CC=C(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)C=C1[O-]	REAL300031935465	1	43	-1.0	-51.00	367.07	3.31	-47.69
O=C(NCC1CCCCN1C(=O)C1=CC(Cl)=NC=C1[O-])C1=NSNC1=O	REAL300031935468	0	41	-1.0	-61.84	358.44	2.53	-59.31
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCCC1CNC(=O)C1=NSNC1=O	REAL300031935480	0	43	-1.0	-73.70	369.63	-2.77	-76.47
CC1=CC=C([O-])C(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)=N1	REAL300031935534	1	44	-1.0	-67.99	365.55	3.44	-64.55
O=C(NCC1CCCCN1C(=O)C1=C[N-]N=CC1=O)C1=NSNC1=O	REAL300031935551	0	40	-1.0	-46.41	337.55	1.38	-45.03
O=C(NCC1CCCCN1C(=O)C1=CC=CC(F)=C1[O-])C1=NSNC1=O	REAL300031935558	0	42	-1.0	-74.66	352.92	3.96	-70.70
O=C(NCC1CCCCN1C(=O)C1=CC=CC([O-])=C1F)C1=NSNC1=O	REAL300031935633	1	42	-1.0	-72.22	353.20	2.92	-69.30
O=C(NCC1CCCCN1C(=O)C1=CC(=O)N[N-]1)C1=NSNC1=O	REAL300031935715	0	39	-1.0	-52.59	328.75	-0.04	-52.63
C[PH](C)([O-])C(=O)C(=O)N1CCCCC1CNC(=O)C1=NSNC1=O	REAL300031935720	0	44	-1.0	-51.15	362.34	0.86	-50.29
O=C(NCC1CCCCN1C(=O)C1=CC(=O)N([O-])C=C1)C1=NSNC1=O	REAL300031935794	0	42	-1.0	-73.10	352.95	3.41	-69.69
O=C(NCC1CCCCN1C(=O)C1=NNC(=O)[N-]1)C1=NSNC1=O	REAL300031935818	0	38	-1.0	-56.54	323.47	-1.49	-58.03
O=C(NCC1CCCCN1C(=O)C1=CC=CN([O-])C1=O)C1=NSNC1=O	REAL300031935823	0	42	-1.0	-62.49	353.94	3.29	-59.20
O=C(NCC1CCCCN1C(=O)C1=CC(F)=CC=C1[O-])C1=NSNC1=O	REAL300031935958	1	42	-1.0	-65.45	355.28	3.51	-61.94
CC1=CC=NC(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)=C1[O-]	REAL300031936016	1	44	-1.0	-66.33	364.28	3.56	-62.77
O=C(NCC1CCCCN1C(=O)C1=CN=CC([O-])=C1)C1=NSNC1=O	REAL300031936108	1	41	-1.0	-61.36	342.92	0.96	-60.40
O=C(NCC1CCCCN1C(=O)C1=CC=CC(=S)N1[O-])C1=NSNC1=O	REAL300031936118	0	42	-1.0	-95.14	365.46	4.51	-90.63
O=C(NCC1CCCCN1C(=O)C1=CC=C([O-])C(Cl)=N1)C1=NSNC1=O	REAL300031936215	0	41	-1.0	-47.78	359.65	2.42	-45.36
O=C(NCC1CCCCN1C(=O)C1=CC=C([O-])C=C1Cl)C1=NSNC1=O	REAL300031936252	1	42	-1.0	-57.82	364.09	3.36	-54.46
O=C(CC1=NC([O-])=CS1)N1CCCCC1CNC(=O)C1=NSNC1=O	REAL300031936259	0	41	-1.0	-84.78	359.94	-1.26	-86.04
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCCC1CNC(=O)C1=NSNC1=O	REAL300031936273	0	44	-1.0	-70.60	375.21	-0.66	-71.26
O=C(NCC1CCCCN1C(=O)C1=CC=C(F)C=C1[O-])C1=NSNC1=O	REAL300031936274	0	42	-1.0	-69.70	355.26	3.49	-66.21
O=C(CC1SC(=O)[N-]C1=O)N1CCCCC1CNC(=O)C1=NSNC1=O	REAL300031936349	0	42	-1.0	-61.17	367.21	-2.03	-63.20
O=C(NCC1CCCCN1C(=O)C1=CC=C([O-])C(F)=C1F)C1=NSNC1=O	REAL300031936369	0	42	-1.0	-62.39	361.60	3.01	-59.38
O=C(NCC1CCCCN1C(=O)C1=CC=CC(Cl)=C1[O-])C1=NSNC1=O	REAL300031936375	0	42	-1.0	-68.49	362.72	4.43	-64.06
CC1=CC(=O)C(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)=N[N-]1	REAL300031936398	0	43	-1.0	-55.68	357.99	3.43	-52.25
O=C(NCC1CCCCN1C(=O)C1=CC=CC(=O)N1[O-])C1=NSNC1=O	REAL300031936417	0	42	-1.0	-90.53	354.33	3.72	-86.81
N#CC1=CC=C(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031936438	0	42	-1.0	-46.22	363.68	1.11	-45.11
CN1N=C(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)[N-]C1=O	REAL300031936479	0	41	-1.0	-59.45	346.32	0.15	-59.30
N#CC1=CC=C([O-])C(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)=C1	REAL300031936525	0	43	-1.0	-61.98	369.72	3.84	-58.14
O=C(NCC1CCCCN1C(=O)C1=CN([O-])C(=O)NC1=O)C1=NSNC1=O	REAL300031936599	0	42	-1.0	-55.90	359.06	0.81	-55.09
O=C(NCC1CCCCN1C(=O)C1=CC=C(F)C(O)=C1)C1=NSNC1=O	REAL300031936642	0	42	-1.0	-54.71	353.10	2.93	-51.78
O=C(NCC1CCCCN1C(=O)C1=CC=C(F)C([O-])=C1)C1=NSNC1=O	REAL300031936642	1	42	-1.0	-54.71	353.10	2.93	-51.78
O=C(NCC1CCCCN1C(=O)C1=CC=C(Cl)C=C1O)C1=NSNC1=O	REAL300031936657	0	42	-1.0	-69.18	365.58	3.95	-65.23
O=C(NCC1CCCCN1C(=O)C1=CC=C(Cl)C=C1[O-])C1=NSNC1=O	REAL300031936657	1	42	-1.0	-69.18	365.58	3.95	-65.23
O=C(NCC1CCCCN1C(=O)C1=NC(=O)[N-]C(=O)N1)C1=NSNC1=O	REAL300031936713	0	40	-1.0	-52.78	342.42	-2.51	-55.29
O=C(NCC1CCCCN1C(=O)C1=NC(=O)NC(=O)[N-]1)C1=NSNC1=O	REAL300031936713	1	40	-1.0	-48.22	343.07	-1.75	-49.97
NC1=NC=C(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031936756	1	42	-1.0	-51.92	352.24	-0.05	-51.97
O=C(NCC1CCCCN1C(=O)C1=CC=C(F)C([O-])=C1F)C1=NSNC1=O	REAL300031936786	0	42	-1.0	-72.70	361.56	2.97	-69.73
COC1=NC(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300031936826	0	44	-1.0	-57.62	367.74	-1.53	-59.15
O=C(NCC1CCCCN1C(=O)C1=NC=CC(Cl)=C1[O-])C1=NSNC1=O	REAL300031936831	0	41	-1.0	-63.31	360.14	3.37	-59.94
O=C(NCC1CCCCN1C(=O)C1=CC=C(Cl)C([O-])=C1)C1=NSNC1=O	REAL300031936862	0	42	-1.0	-51.06	362.90	3.41	-47.65
O=C(NCC1CCCCN1C(=O)C1=CC=NC=C1[O-])C1=NSNC1=O	REAL300031936870	0	41	-1.0	-69.58	344.06	1.45	-68.13
O=C(NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=NSNC1=O	REAL300031936875	0	38	-1.0	-57.49	323.70	0.03	-57.46
CC1=C([O-])N=C(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)S1	REAL300031936893	1	41	-1.0	-55.49	355.77	0.77	-54.72
O=C(NCC1CCCCN1C(=O)C(=O)C1=CC=C([O-])C=C1)C1=NSNC1=O	REAL300031936976	1	44	-1.0	-58.66	375.54	2.87	-55.79
O=C(NCC1CCCCN1C(=O)C1=CN=C(C=N[O-])S1)C1=NSNC1=O	REAL300031936992	0	41	-1.0	-68.96	365.06	0.88	-68.08
O=C(NCC1CCCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=NSNC1=O	REAL300031937009	1	41	-1.0	-50.24	360.59	3.37	-46.87
O=C(NCC1CCCCN1C(=O)C1=CC(=O)NC([O-])=C1)C1=NSNC1=O	REAL300031937027	0	42	-1.0	-52.21	354.12	-1.48	-53.69
CCN1[N-]C(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300031937081	0	45	-1.0	-56.01	373.32	2.61	-53.40
CN1[N-]C(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300031937095	0	42	-1.0	-55.16	351.48	1.68	-53.48
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CNC(=O)C1=NSNC1=O	REAL300031937104	0	42	-1.0	-64.20	369.93	-1.34	-65.54
O=C(CC1=CC(=O)N[N-]1)N1CCCCC1CNC(=O)C1=NSNC1=O	REAL300031937206	1	42	-1.0	-73.24	354.09	-0.55	-73.79
O=C(NCC1CCCCN1C(=O)C1=CC=C([O-])C(F)=C1)C1=NSNC1=O	REAL300031937211	1	42	-1.0	-57.65	353.07	2.97	-54.68
O=C(NCC1CCCCN1C(=O)C1=CC(F)=C([O-])C(F)=C1)C1=NSNC1=O	REAL300031937247	0	42	-1.0	-59.02	360.44	2.97	-56.05
O=C(NCC1CCCCN1C(=O)C1=CC=NC(Cl)=C1[O-])C1=NSNC1=O	REAL300031937251	0	41	-1.0	-66.68	357.75	2.54	-64.14
CC1=C(CC(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)C(=O)N(C)[N-]1	REAL300031937265	0	48	-1.0	-73.43	396.90	1.85	-71.58
CC1=CN=C(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)C([O-])=C1	REAL300031937300	1	44	-1.0	-68.64	365.40	3.49	-65.15
O=C(NCC1CCCCN1C(=O)C1=CC([O-])=CS1)C1=NSNC1=O	REAL300031937319	0	39	-1.0	-67.43	339.39	1.69	-65.74
O=C(NCC1CCCCN1C(=O)C1=CN([O-])C(=O)C=C1)C1=NSNC1=O	REAL300031937332	0	42	-1.0	-73.41	352.65	3.42	-69.99
CN1[N-]C(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300031937481	0	42	-1.0	-64.57	351.92	1.43	-63.14
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN1C(=O)C1=NSNC1=O	REAL300031937488	0	42	-1.0	-60.62	366.09	-0.47	-61.09
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=NC(=O)[N-]C(=O)N1	REAL300031937637	0	40	-1.0	-58.77	342.21	-3.36	-62.13
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=NC(=O)NC(=O)[N-]1	REAL300031937637	1	40	-1.0	-56.24	342.69	-2.56	-58.80
O=C(CN1[N-]C(=O)C=CC1=O)NCC1CCCCN1C(=O)C1=NSNC1=O	REAL300031937776	0	44	-1.0	-69.52	371.82	0.03	-69.49
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300031937783	0	38	-1.0	-63.20	323.82	0.18	-63.02
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CN([O-])C(=O)NC1=O	REAL300031937794	0	42	-1.0	-60.27	354.07	1.34	-58.93
O=C(NCC1CCCCN1C(=O)C1=NNC(=O)[N-]C1=O)C1=NSNC1=O	REAL300031938995	0	40	-1.0	-59.29	340.80	-2.45	-61.74
O=C(CN1C(=O)[N-]NC1=O)N1CCCCC1CNC(=O)C1=NSNC1=O	REAL300031939079	0	42	-1.0	-70.24	359.09	-1.65	-71.89
O=C(NCC1CCCCN1C(=O)C1=CN([O-])C(=O)C=C1)C1=NSNC1=O	REAL300031939670	0	42	-1.0	-73.41	352.65	3.42	-69.99
O=C(NCC1CCCCN1C(=O)C1=CC(=O)NC([O-])=C1)C1=NSNC1=O	REAL300031939784	0	42	-1.0	-52.21	354.12	-1.48	-53.69
O=C(NCC1CCCCN1C(=O)C1=COC(=O)[N-]1)C1=NSNC1=O	REAL300031939795	1	38	-1.0	-49.76	323.90	0.04	-49.72
CCN1[N-]C(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300031939965	0	45	-1.0	-56.01	373.32	2.61	-53.40
O=C(CC1=CC(=O)N[N-]1)N1CCCCC1CNC(=O)C1=NSNC1=O	REAL300031939973	1	42	-1.0	-73.24	354.09	-0.55	-73.79
O=C(NCC1CCCCN1C(=O)C1=CC=CC(=S)N1[O-])C1=NSNC1=O	REAL300031939991	0	42	-1.0	-95.14	365.46	4.51	-90.63
O=C(CC1SC(=O)[N-]C1=O)N1CCCCC1CNC(=O)C1=NSNC1=O	REAL300031940000	0	42	-1.0	-61.17	367.21	-2.03	-63.20
CN1N=C(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)[N-]C1=O	REAL300031940016	0	41	-1.0	-59.45	346.32	0.15	-59.30
O=C(NCC1CCCCN1C(=O)C1=C[N-]N=CC1=O)C1=NSNC1=O	REAL300031940105	0	40	-1.0	-46.41	337.55	1.38	-45.03
O=C(NCC1CCCCN1C(=O)C1=CC(=O)N[N-]1)C1=NSNC1=O	REAL300031940204	0	39	-1.0	-52.59	328.75	-0.04	-52.63
C[PH](C)([O-])C(=O)C(=O)N1CCCCC1CNC(=O)C1=NSNC1=O	REAL300031940209	0	44	-1.0	-51.15	362.34	0.86	-50.29
O=C(NCC1CCCCN1C(=O)C1=CC=CN([O-])C1=O)C1=NSNC1=O	REAL300031940240	0	42	-1.0	-62.49	353.94	3.29	-59.20
CC1SC(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)=NC1=O	REAL300031940268	0	41	-1.0	-55.49	355.77	0.77	-54.72
CC1=C([O-])N=C(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)S1	REAL300031940268	1	41	-1.0	-55.49	355.77	0.77	-54.72
O=C(NCC1CCCCN1C(=O)C1=CC(=O)C=C(Cl)N1)C1=NSNC1=O	REAL300031940282	0	41	-1.0	-50.24	360.59	3.37	-46.87
O=C(NCC1CCCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=NSNC1=O	REAL300031940282	1	41	-1.0	-50.24	360.59	3.37	-46.87
O=C(NCC1CCCCN1C(=O)C1=CC(=O)N([O-])C=C1)C1=NSNC1=O	REAL300031940299	0	42	-1.0	-73.10	352.95	3.41	-69.69
O=C(NCC1CCCCN1C(=O)C1=CC=CC(=O)N1[O-])C1=NSNC1=O	REAL300031940332	0	42	-1.0	-90.53	354.33	3.72	-86.81
NC1=NC([O-])=C(CC(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)S1	REAL300031940455	0	43	-1.0	-61.57	372.99	-1.17	-62.74
O=C(CC1=NC([O-])=CS1)N1CCCCC1CNC(=O)C1=NSNC1=O	REAL300031940500	0	41	-1.0	-84.78	359.94	-1.26	-86.04
CCC1=NC=C(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)C(=O)N1	REAL300031940518	0	46	-1.0	-51.57	378.86	1.58	-49.99
CCC1=NC=C(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031940518	1	46	-1.0	-51.57	378.86	1.58	-49.99
CC1=CC(=O)C(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)=N[N-]1	REAL300031940729	0	43	-1.0	-55.68	357.99	3.43	-52.25
O=C(NCC1CCCCN1C(=O)C1=NNC(=O)[N-]1)C1=NSNC1=O	REAL300031940744	0	38	-1.0	-56.54	323.47	-1.49	-58.03
O=C(NCC1CCCCN1C(=O)C1=CN=C(C=N[O-])S1)C1=NSNC1=O	REAL300031940855	0	41	-1.0	-68.96	365.06	0.88	-68.08
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=NC=CC=C1[O-]	REAL300031941124	1	41	-1.0	-77.75	341.14	3.16	-74.59
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=NNC(=O)[N-]C1=O	REAL300031941247	0	40	-1.0	-65.15	340.59	-2.34	-67.49
O=C(CN1C(=O)[N-]NC1=O)NCC1CCCCN1C(=O)C1=NSNC1=O	REAL300031941407	0	42	-1.0	-67.72	354.70	-0.79	-68.51
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC(Cl)=CC=C1[O-]	REAL300031942726	1	42	-1.0	-72.90	360.65	5.39	-67.51
N#CC1=CC([O-])=CC(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)=C1	REAL300031942751	1	43	-1.0	-54.68	366.92	3.60	-51.08
CCC1=NC=C(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031942834	1	46	-1.0	-61.00	374.49	2.25	-58.75
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300031942852	1	38	-1.0	-59.74	324.20	-1.27	-61.01
O=C(C[N-]C(=O)C(F)(F)F)NCC1CCCCN1C(=O)C1=NSNC1=O	REAL300031942919	0	41	-1.0	-60.95	359.23	-0.40	-61.35
NC1=NC([O-])=C(CC(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)S1	REAL300031942920	0	43	-1.0	-86.16	370.41	-1.26	-87.42
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=C(F)C=C([O-])C=C1F	REAL300031942929	0	42	-1.0	-57.96	362.37	3.19	-54.77
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C([O-])C=C1F	REAL300031942944	1	42	-1.0	-62.96	350.59	3.34	-59.62
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC([O-])=CC(=O)O1	REAL300031942950	0	41	-1.0	-58.10	349.42	2.47	-55.63
N#CC1=CC=C(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)C=C1[O-]	REAL300031942957	1	43	-1.0	-56.60	366.22	3.68	-52.92
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC(Cl)=NC=C1[O-]	REAL300031942960	0	41	-1.0	-68.12	356.07	3.47	-64.65
O=C(CN1N=CC(=O)[N-]C1=O)NCC1CCCCN1C(=O)C1=NSNC1=O	REAL300031942976	0	43	-1.0	-73.56	365.10	-1.82	-75.38
O=C(CCC1=NC(=O)[N-]N1)NCC1CCCCN1C(=O)C1=NSNC1=O	REAL300031943038	1	44	-1.0	-65.77	365.04	-0.63	-66.40
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=C[N-]N=CC1=O	REAL300031943054	0	40	-1.0	-55.33	333.31	1.86	-53.47
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CC(F)=C1[O-]	REAL300031943063	0	42	-1.0	-81.53	350.12	4.92	-76.61
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CC([O-])=C1F	REAL300031943149	1	42	-1.0	-76.15	350.44	3.30	-72.85
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300031943247	0	39	-1.0	-61.33	329.09	-0.29	-61.62
C[PH](C)([O-])C(=O)C(=O)NCC1CCCCN1C(=O)C1=NSNC1=O	REAL300031943253	0	44	-1.0	-62.03	363.14	0.85	-61.18
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)N([O-])C=C1	REAL300031943340	0	42	-1.0	-74.04	352.10	3.78	-70.26
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=NC(=O)N[N-]1	REAL300031943364	0	38	-1.0	-60.04	323.66	-1.60	-61.64
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=C(O)C=CC=C1Cl	REAL300031943367	0	42	-1.0	-72.97	365.31	3.57	-69.40
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=C([O-])C=CC=C1Cl	REAL300031943367	1	42	-1.0	-72.97	365.31	3.57	-69.40
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CN([O-])C1=O	REAL300031943371	0	42	-1.0	-69.46	348.82	3.87	-65.59
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=C(F)C=CC(O)=C1F	REAL300031943400	0	42	-1.0	-62.36	362.21	3.17	-59.19
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=C(F)C=CC([O-])=C1F	REAL300031943400	1	42	-1.0	-62.36	362.21	3.17	-59.19
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC(F)=CC=C1O	REAL300031943535	0	42	-1.0	-72.11	350.34	4.94	-67.17
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC(F)=CC=C1[O-]	REAL300031943535	1	42	-1.0	-72.11	350.34	4.94	-67.17
CC1=CC=NC(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)=C1O	REAL300031943598	0	44	-1.0	-77.71	361.46	3.84	-73.87
CC1=CC=NC(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)=C1[O-]	REAL300031943598	1	44	-1.0	-77.71	361.46	3.84	-73.87
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CN=CC(O)=C1	REAL300031943702	0	41	-1.0	-65.54	341.10	1.43	-64.11
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CN=CC([O-])=C1	REAL300031943702	1	41	-1.0	-65.54	341.10	1.43	-64.11
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CC(=S)N1[O-]	REAL300031943712	0	42	-1.0	-97.13	360.41	5.79	-91.34
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C([O-])C(Cl)=N1	REAL300031943819	0	41	-1.0	-55.70	359.45	1.99	-53.71
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C(O)C=C1Cl	REAL300031943857	0	42	-1.0	-60.84	358.56	3.77	-57.07
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C([O-])C=C1Cl	REAL300031943857	1	42	-1.0	-60.84	358.56	3.77	-57.07
O=C(CC1=NC([O-])=CS1)NCC1CCCCN1C(=O)C1=NSNC1=O	REAL300031943868	0	41	-1.0	-80.13	355.59	-0.40	-80.53
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=C(O)C=CC=C1F	REAL300031943883	0	42	-1.0	-68.75	355.82	3.20	-65.55
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=C([O-])C=CC=C1F	REAL300031943883	1	42	-1.0	-68.75	355.82	3.20	-65.55
O=C(CN1[N-]C(=O)C=CC1=O)NCC1CCCCN1C(=O)C1=NSNC1=O	REAL300031943885	0	44	-1.0	-69.52	371.82	0.03	-69.49
O=C(CC1SC(=O)[N-]C1=O)NCC1CCCCN1C(=O)C1=NSNC1=O	REAL300031943978	0	42	-1.0	-55.84	362.87	-1.17	-57.01
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C([O-])C(F)=C1F	REAL300031944003	0	42	-1.0	-64.43	356.67	3.40	-61.03
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CC(Cl)=C1[O-]	REAL300031944009	0	42	-1.0	-76.03	359.92	5.38	-70.65
CC1=CC(=O)C(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)=N[N-]1	REAL300031944037	0	43	-1.0	-67.63	357.75	3.51	-64.12
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CC(=O)N1[O-]	REAL300031944062	0	42	-1.0	-94.98	349.30	4.77	-90.21
N#CC1=CC=C(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031944090	0	42	-1.0	-54.67	358.59	1.67	-53.00
CN1N=C(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)[N-]C1=O	REAL300031944136	0	41	-1.0	-68.09	346.32	-0.08	-68.17
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=C(F)C=CC(O)=C1O	REAL300031944185	0	43	-1.0	-69.30	366.57	1.25	-68.05
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=C(F)C=CC(O)=C1[O-]	REAL300031944185	1	43	-1.0	-69.30	366.57	1.25	-68.05
N#CC1=CC=C([O-])C(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)=C1	REAL300031944194	0	43	-1.0	-67.50	364.75	5.29	-62.21
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CN([O-])C(=O)NC1=O	REAL300031944277	0	42	-1.0	-60.27	354.07	1.34	-58.93
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C(F)C(O)=C1	REAL300031944328	0	42	-1.0	-61.22	352.29	3.30	-57.92
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C(F)C([O-])=C1	REAL300031944328	1	42	-1.0	-61.22	352.29	3.30	-57.92
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C(F)(F)C(F)(F)F	REAL300031944338	0	37	-1.0	-58.56	330.76	2.10	-56.46
O=C([N-]CC1CCCCN1C(=O)C1=NSNC1=O)C(F)(F)C(F)(F)F	REAL300031944338	1	37	-1.0	-58.56	330.76	2.10	-56.46
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C(Cl)C=C1O	REAL300031944346	0	42	-1.0	-75.13	360.63	5.39	-69.74
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C(Cl)C=C1[O-]	REAL300031944346	1	42	-1.0	-75.13	360.63	5.39	-69.74
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=NC(=O)[N-]C(=O)N1	REAL300031944413	0	40	-1.0	-58.77	342.21	-3.36	-62.13
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=NC(=O)NC(=O)[N-]1	REAL300031944413	1	40	-1.0	-56.24	342.69	-2.56	-58.80
NC1=NC=C(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031944467	1	42	-1.0	-61.88	347.03	0.51	-61.37
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C(F)C([O-])=C1F	REAL300031944500	0	42	-1.0	-74.75	356.64	3.38	-71.37
COC1=NC(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300031944542	0	44	-1.0	-65.68	369.82	-2.28	-67.96
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=NC=CC(Cl)=C1[O-]	REAL300031944551	0	41	-1.0	-73.02	357.28	3.68	-69.34
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C(Cl)C([O-])=C1	REAL300031944589	0	42	-1.0	-57.98	362.09	3.79	-54.19
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=NC=C1[O-]	REAL300031944598	1	41	-1.0	-75.11	339.19	3.03	-72.08
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300031944604	0	38	-1.0	-63.20	323.82	0.18	-63.02
CC1=C([O-])N=C(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)S1	REAL300031944626	1	41	-1.0	-64.34	355.61	-0.17	-64.51
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C=C1	REAL300031944718	1	44	-1.0	-60.78	366.63	3.10	-57.68
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CN=C(C=N[O-])S1	REAL300031944737	0	41	-1.0	-67.67	364.45	1.30	-66.37
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300031944758	1	41	-1.0	-57.72	359.18	3.01	-54.71
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)NC([O-])=C1	REAL300031944778	0	42	-1.0	-56.87	352.19	-1.13	-58.00
CCN1[N-]C(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300031944835	0	45	-1.0	-65.61	373.63	2.35	-63.26
CN1[N-]C(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300031944854	0	42	-1.0	-64.57	351.92	1.43	-63.14
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN1C(=O)C1=NSNC1=O	REAL300031944864	0	42	-1.0	-60.62	366.09	-0.47	-61.09
O=C(CC1=CC(=O)N[N-]1)NCC1CCCCN1C(=O)C1=NSNC1=O	REAL300031944991	1	42	-1.0	-68.46	349.75	0.32	-68.14
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C([O-])C(F)=C1	REAL300031944996	1	42	-1.0	-61.45	352.25	3.33	-58.12
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC(F)=C([O-])C(F)=C1	REAL300031945042	0	42	-1.0	-61.61	358.46	3.40	-58.21
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=NC(Cl)=C1[O-]	REAL300031945047	0	41	-1.0	-72.48	355.39	3.49	-68.99
CC1=C(CC(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)C(=O)N(C)[N-]1	REAL300031945062	0	48	-1.0	-67.50	392.57	2.74	-64.76
CC1=CN=C(C(=O)NCC2CCCCN2C(=O)C2=NSNC2=O)C([O-])=C1	REAL300031945098	1	44	-1.0	-79.53	362.58	3.79	-75.74
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC([O-])=CS1	REAL300031945119	0	39	-1.0	-69.17	338.31	2.17	-67.00
O=C(NCC1CCCCN1C(=O)C1=NSNC1=O)C1=CN([O-])C(=O)C=C1	REAL300031945135	0	42	-1.0	-74.13	351.52	3.79	-70.34
CN1[N-]C(C(=O)N2CCCCC2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300031945287	0	42	-1.0	-55.16	351.48	1.68	-53.48
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CNC(=O)C1=NSNC1=O	REAL300031945294	0	42	-1.0	-64.20	369.93	-1.34	-65.54
O=C(NCC1CCCCN1C(=O)C1=NC(=O)[N-]C(=O)N1)C1=NSNC1=O	REAL300031945443	0	40	-1.0	-52.78	342.42	-2.51	-55.29
O=C(NCC1CCCCN1C(=O)C1=NC(=O)NC(=O)[N-]1)C1=NSNC1=O	REAL300031945443	1	40	-1.0	-48.22	343.07	-1.75	-49.97
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCCC1CNC(=O)C1=NSNC1=O	REAL300031945582	0	44	-1.0	-70.60	375.21	-0.66	-71.26
O=C(NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=NSNC1=O	REAL300031945589	0	38	-1.0	-57.49	323.70	0.03	-57.46
O=C(NCC1CCCCN1C(=O)C1=CN([O-])C(=O)NC1=O)C1=NSNC1=O	REAL300031945600	0	42	-1.0	-55.90	359.06	0.81	-55.09
O=C(C1=NSNC1=O)N1CCCC1C1CCCCN1C(=O)C1=COC(=O)[N-]1	REAL300031945979	1	45	-1.0	-51.51	350.58	1.75	-49.76
O=C(C1=NSNC1=O)N1CCCC1C1CCCCN1C(=O)C1=CC(=O)N[N-]1	REAL300031946061	0	46	-1.0	-55.36	360.41	2.21	-53.15
O=C(C1=NSNC1=O)N1CCCC1C1CCCCN1C(=O)C1=NC(=O)N[N-]1	REAL300031946132	0	45	-1.0	-52.73	350.24	0.88	-51.85
O=C(C1=COC(=O)[N-]1)N1CCCC1C1CCCCN1C(=O)C1=NSNC1=O	REAL300031946449	1	45	-1.0	-54.10	356.10	1.53	-52.57
O=C(C1=CC(=O)N[N-]1)N1CCCC1C1CCCCN1C(=O)C1=NSNC1=O	REAL300031946501	0	46	-1.0	-56.03	360.74	1.69	-54.34
O=C(C1=NC(=O)N[N-]1)N1CCCC1C1CCCCN1C(=O)C1=NSNC1=O	REAL300031946511	0	45	-1.0	-53.27	350.40	0.73	-52.54
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCCCN1C(=O)C1=NSNC1=O	REAL300031946631	0	45	-1.0	-57.37	355.94	1.87	-55.50
O=C(C1=NSNC1=O)N1CCCC1C1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300031946777	0	45	-1.0	-57.07	350.97	1.64	-55.43
CC(NC(=O)C1=NNC(=O)[N-]C1=O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031947495	0	43	-1.0	-60.35	361.34	-2.66	-63.01
CC(NC(=O)CN1C(=O)[N-]NC1=O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031947544	0	45	-1.0	-61.70	380.46	-0.62	-62.32
CC(NC(=O)C1=CN([O-])C(=O)C=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031947890	0	45	-1.0	-71.12	372.43	3.63	-67.49
CC(NC(=O)C1=CC(=O)NC([O-])=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031947965	0	45	-1.0	-57.61	372.88	-1.42	-59.03
CC(NC(=O)C1=COC(=O)[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031947976	1	41	-1.0	-61.90	344.16	-1.48	-63.38
CCN1[N-]C(C(=O)NC(C)C2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031948081	0	48	-1.0	-62.61	399.32	2.43	-60.18
CC(NC(=O)CC1=CC(=O)N[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031948088	1	45	-1.0	-63.64	375.44	0.41	-63.23
CC(NC(=O)C1=NN(C)C(=O)[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031948107	0	44	-1.0	-65.00	372.03	-0.01	-65.01
CC(NC(=O)C1=C[N-]N=CC1=O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031948159	0	43	-1.0	-55.05	353.92	1.58	-53.47
CC(NC(=O)C1=CC(=O)N[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031948217	0	42	-1.0	-59.45	354.77	-0.21	-59.66
CC(NC(=O)C(=O)[PH](C)(C)[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031948222	0	47	-1.0	-58.24	388.67	1.27	-56.97
CC(NC(=O)C1=CC=CN([O-])C1=O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031948242	0	45	-1.0	-77.63	369.82	3.68	-73.95
CC(NC(=O)C1=NC(=O)C(C)S1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031948261	0	44	-1.0	-68.90	376.32	-0.47	-69.37
CC1=C([O-])N=C(C(=O)NC(C)C2CCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300031948261	1	44	-1.0	-68.90	376.32	-0.47	-69.37
CC(NC(=O)C1=CC(=O)N([O-])C=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031948276	0	45	-1.0	-71.68	372.79	3.48	-68.20
CC(NC(=O)C1=CC=CC(=O)N1[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031948298	0	45	-1.0	-82.99	369.72	4.58	-78.41
CC(NC(=O)CC1=NC([O-])=CS1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031948400	0	44	-1.0	-73.32	381.74	-0.41	-73.73
CC1=CC(=O)C(C(=O)NC(C)C2CCCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031948539	0	46	-1.0	-61.90	378.50	3.19	-58.71
CC(NC(=O)C1=NNC(=O)[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031948549	0	41	-1.0	-61.08	344.27	-2.06	-63.14
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NC=CC=C2O)C1	REAL300031948884	0	44	-1.0	-62.19	366.72	3.45	-58.74
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300031948884	1	44	-1.0	-62.19	366.72	3.45	-58.74
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300031948973	0	43	-1.0	-55.47	366.23	-2.38	-57.85
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300031949060	0	45	-1.0	-56.27	377.76	-1.12	-57.39
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300031949856	1	41	-1.0	-49.58	349.63	-0.11	-49.69
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300031949918	1	45	-1.0	-53.88	382.26	2.88	-51.00
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300031949921	0	44	-1.0	-51.80	376.87	2.23	-49.57
CC1=CC=C([O-])C(C(=O)N2CCCC(C(C)NC(=O)C3=NSNC3=O)C2)=N1	REAL300031949968	1	47	-1.0	-62.74	385.29	3.24	-59.50
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300031949978	0	43	-1.0	-48.19	363.04	1.10	-47.09
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300031949985	0	45	-1.0	-67.09	375.24	2.92	-64.17
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300031950040	1	45	-1.0	-65.16	375.51	2.59	-62.57
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300031950105	0	42	-1.0	-49.89	348.92	-0.44	-50.33
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300031950110	0	47	-1.0	-49.50	388.94	1.24	-48.26
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300031950156	0	45	-1.0	-60.99	374.33	3.02	-57.97
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300031950171	0	41	-1.0	-48.55	349.12	-0.82	-49.37
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300031950175	0	45	-1.0	-75.79	383.78	3.46	-72.33
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300031950272	0	45	-1.0	-58.08	378.30	4.02	-54.06
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300031950272	1	45	-1.0	-58.08	378.30	4.02	-54.06
CC1=CC=NC(C(=O)N2CCCC(C(C)NC(=O)C3=NSNC3=O)C2)=C1O	REAL300031950313	0	47	-1.0	-61.80	386.97	4.16	-57.64
CC1=CC=NC(C(=O)N2CCCC(C(C)NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300031950313	1	47	-1.0	-61.80	386.97	4.16	-57.64
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CN=CC(O)=C2)C1	REAL300031950368	0	44	-1.0	-52.39	367.10	0.80	-51.59
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300031950368	1	44	-1.0	-52.39	367.10	0.80	-51.59
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300031950447	0	44	-1.0	-70.40	384.08	-0.50	-70.90
CC1=CC(=O)C(C(=O)N2CCCC(C(C)NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031950543	0	46	-1.0	-53.10	383.44	3.51	-49.59
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300031950558	0	45	-1.0	-78.12	377.37	2.96	-75.16
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300031950600	0	44	-1.0	-56.47	366.28	-0.26	-56.73
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300031950715	0	45	-1.0	-54.79	375.74	2.59	-52.20
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300031950715	1	45	-1.0	-54.79	375.74	2.59	-52.20
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300031950762	0	43	-1.0	-51.96	367.82	-2.62	-54.58
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300031950762	1	43	-1.0	-47.91	366.61	-3.38	-51.29
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300031950797	1	45	-1.0	-59.52	381.94	-0.02	-59.54
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300031950873	0	44	-1.0	-62.22	361.53	1.84	-60.38
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300031950878	0	41	-1.0	-54.89	343.66	-0.46	-55.35
CC1=C([O-])N=C(C(=O)N2CCCC(C(C)NC(=O)C3=NSNC3=O)C2)S1	REAL300031950893	1	44	-1.0	-55.38	381.51	0.59	-54.79
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300031950985	0	45	-1.0	-49.45	384.55	-1.44	-50.89
CCN1[N-]C(C(=O)N2CCCC(C(C)NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031951023	0	48	-1.0	-53.65	399.06	2.48	-51.17
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300031951039	0	45	-1.0	-52.88	377.25	1.54	-51.34
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300031951117	1	45	-1.0	-59.17	378.20	0.20	-58.97
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300031951121	1	45	-1.0	-48.12	374.35	2.56	-45.56
CC1=CN=C(C(=O)N2CCCC(C(C)NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300031951177	1	47	-1.0	-63.31	385.14	3.29	-60.02
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC([O-])=CS2)C1	REAL300031951189	0	42	-1.0	-60.99	363.93	1.65	-59.34
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300031951200	0	45	-1.0	-67.02	377.64	3.18	-63.84
CC(NC(=O)C1=CC(=O)N(C)[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031951291	0	45	-1.0	-60.80	372.59	1.13	-59.67
CC(NC(=O)C1=NC(=O)[N-]C(=O)N1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031951376	0	43	-1.0	-57.09	368.55	-2.51	-59.60
CC(NC(=O)C1=NC(=O)NC(=O)[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031951376	1	43	-1.0	-57.09	368.55	-2.51	-59.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300031951477	0	41	-1.0	-63.43	349.52	0.28	-63.15
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21)C1=CN=C(C2CC2)[N-]C1=O	REAL300031951982	1	42	-1.0	-49.70	369.10	1.50	-48.20
O=C(CCCN1C(=O)[N-]NC1=O)N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031952661	0	43	-1.0	-58.20	381.36	-0.81	-59.01
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031952890	0	41	-1.0	-57.42	368.85	-3.55	-60.97
CC(=O)[N-]C1=NC(C(=O)N[C@@H]2[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)=CS1	REAL300031952891	1	39	-1.0	-47.45	363.40	-0.02	-47.47
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031953060	1	42	-1.0	-62.25	374.89	0.55	-61.70
COC1=C(C(=O)N[C@@H]2[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)NC(=O)[N-]C1=O	REAL300031953178	1	40	-1.0	-56.55	358.51	-2.36	-58.91
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21)C1=NNC(=O)[N-]C1=O	REAL300031953302	0	35	-1.0	-56.06	324.73	-3.68	-59.74
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031953426	0	37	-1.0	-57.23	338.64	-2.03	-59.26
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21)C1=C[N-]N=CC1=O	REAL300031954967	0	35	-1.0	-43.37	317.09	0.55	-42.82
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21)C1=CC=C2N=NN([O-])C2=C1	REAL300031955007	0	39	-1.0	-67.43	352.17	0.96	-66.47
CC1=C(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)C(=O)N(C)[N-]1	REAL300031955019	0	43	-1.0	-62.03	376.51	1.41	-60.62
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21)C1=CC(=O)N[N-]1	REAL300031955109	0	34	-1.0	-50.70	312.94	-1.63	-52.33
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031955114	0	39	-1.0	-50.86	346.08	-0.27	-51.13
CN1[N-]C(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)=CC1=O	REAL300031955117	0	40	-1.0	-63.41	356.45	0.75	-62.66
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21)C1=CC=CN([O-])C1=O	REAL300031955163	0	37	-1.0	-61.18	333.16	2.63	-58.55
CSC1=NC=C(C(=O)N[C@@H]2[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)C(=O)[N-]1	REAL300031955184	1	39	-1.0	-49.22	359.27	0.41	-48.81
CC1=C([O-])N=C(C(=O)N[C@@H]2[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)S1	REAL300031955209	1	36	-1.0	-56.97	339.74	-1.51	-58.48
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21)C1=CC(=O)C=C(Cl)[N-]1	REAL300031955230	1	36	-1.0	-47.64	343.11	1.67	-45.97
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21)C1=CC(=O)N([O-])C=C1	REAL300031955255	0	37	-1.0	-71.73	336.25	2.40	-69.33
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21)C1=CC=CC(=O)N1[O-]	REAL300031955316	0	37	-1.0	-82.93	333.10	3.44	-79.49
O=C(C[N-]C(=O)C(F)(F)F)N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031955492	0	36	-1.0	-50.28	343.08	-1.74	-52.02
NC1=NC([O-])=C(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)S1	REAL300031955493	0	38	-1.0	-67.49	354.30	-2.57	-70.06
O=C(CC1=NC([O-])=CS1)N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031955558	0	36	-1.0	-73.22	339.46	-1.70	-74.92
CCC1=NC=C(C(=O)N[C@@H]2[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)C(=O)[N-]1	REAL300031955585	1	41	-1.0	-48.59	358.03	0.91	-47.68
O=C(CN1N=CC(=O)[N-]C1=O)N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300031955597	0	38	-1.0	-61.25	349.26	-3.11	-64.36
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21)C1=C(Cl)C(=O)[N-]S1	REAL300031955680	0	33	-1.0	-52.53	330.51	-0.32	-52.85
COCC1=NC=C(C(=O)N[C@@H]2[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)C(=O)N1	REAL300031955793	0	42	-1.0	-49.54	370.96	-0.85	-50.39
COCC1=NC=C(C(=O)N[C@@H]2[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)C(=O)[N-]1	REAL300031955793	1	42	-1.0	-49.54	370.96	-0.85	-50.39
CC1=CC(=O)C(C(=O)N[C@@H]2[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)=N[N-]1	REAL300031955900	0	38	-1.0	-53.37	342.02	2.20	-51.17
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21)C1=NNC(=O)[N-]1	REAL300031955919	0	33	-1.0	-54.31	307.46	-3.09	-57.40
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300031955944	0	38	-1.0	-52.23	350.14	1.41	-50.82
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300031955944	1	38	-1.0	-52.23	350.14	1.41	-50.82
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21)C1=CN=C(C=N[O-])S1	REAL300031956086	0	36	-1.0	-65.95	348.54	-0.00	-65.95
COC1=NC(C(=O)N[C@@H]2[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)=CC(=O)[N-]1	REAL300031956107	0	39	-1.0	-55.90	353.68	-3.62	-59.52
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=NC=CC=C3[O-])C[C@H]21)C1=NSNC1=O	REAL300031956366	1	36	-1.0	-66.22	325.18	2.02	-64.20
O=C(CCN1C=C[N-]C(=O)C1=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=NSNC1=O	REAL300031956490	1	42	-1.0	-61.58	378.31	0.32	-61.26
CC(=O)[N-]C1=NC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2=NSNC2=O)=CS1	REAL300031956502	1	39	-1.0	-49.88	363.21	0.16	-49.72
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=NNC(=O)[N-]C3=O)C[C@H]21)C1=NSNC1=O	REAL300031956537	0	35	-1.0	-58.62	324.77	-3.79	-62.41
COC1=C(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2=NSNC2=O)NC(=O)[N-]C1=O	REAL300031956593	1	40	-1.0	-57.96	360.23	-2.58	-60.54
O=C(CN1C(=O)[N-]NC1=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=NSNC1=O	REAL300031956774	0	37	-1.0	-59.38	342.05	-2.34	-61.72
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=C([O-])C=CC4=CC=CC=C43)C[C@H]21)C1=NSNC1=O	REAL300031962000	1	43	-1.0	-65.54	382.58	3.76	-61.78
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=C([O-])C4=CC=CC=C4C=C3)C[C@H]21)C1=NSNC1=O	REAL300031962020	1	43	-1.0	-68.76	375.42	4.94	-63.82
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CC4=CC=CC=C4C=C3[O-])C[C@H]21)C1=NSNC1=O	REAL300031962028	1	43	-1.0	-71.48	376.49	4.84	-66.64
O=C(N[C@@H]1[C@H]2CN(C(=O)C(=O)C3=CC=C([O-])C=C3)C[C@H]21)C1=NSNC1=O	REAL300031962080	1	39	-1.0	-55.90	350.69	1.50	-54.40
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CN=C(C=N[O-])S3)C[C@H]21)C1=NSNC1=O	REAL300031962118	0	36	-1.0	-67.29	347.42	-0.78	-68.07
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C[C@H]21)C1=NSNC1=O	REAL300031962154	1	36	-1.0	-50.24	343.16	1.87	-48.37
CSC1=NC=C(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300031962180	1	39	-1.0	-57.35	362.41	-0.29	-57.64
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)NC([O-])=C3)C[C@H]21)C1=NSNC1=O	REAL300031962189	0	37	-1.0	-52.13	337.02	-3.15	-55.28
CCN1[N-]C(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2=NSNC2=O)=CC1=O	REAL300031962272	0	40	-1.0	-56.86	357.67	0.97	-55.89
CN1[N-]C(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2=NSNC2=O)=CC1=O	REAL300031962294	0	37	-1.0	-56.13	335.87	0.04	-56.09
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CC=CC4=C3C(=O)[N-]C4=O)C[C@H]21)C1=NSNC1=O	REAL300031962308	1	40	-1.0	-70.48	362.59	-0.43	-70.91
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=NSNC1=O	REAL300031962312	0	37	-1.0	-57.21	353.39	-2.03	-59.24
CC1=C(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2=NSNC2=O)C(=S)[N-]C(=O)N1	REAL300031962314	1	39	-1.0	-65.23	366.49	-0.76	-65.99
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=C([O-])C=NC4=CC=CC=C43)C[C@H]21)C1=NSNC1=O	REAL300031962385	1	42	-1.0	-60.81	377.41	1.80	-59.01
O=C(CC1=CC(=O)N[N-]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=NSNC1=O	REAL300031962494	1	37	-1.0	-62.84	337.44	-1.29	-64.13
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CC=C([O-])C(F)=C3)C[C@H]21)C1=NSNC1=O	REAL300031962500	1	37	-1.0	-57.38	337.64	1.34	-56.04
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CC(F)=C([O-])C(F)=C3)C[C@H]21)C1=NSNC1=O	REAL300031962563	0	37	-1.0	-57.54	342.17	1.36	-56.18
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CC=NC(Cl)=C3[O-])C[C@H]21)C1=NSNC1=O	REAL300031962569	0	36	-1.0	-61.72	341.66	1.22	-60.50
CC1=C(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2=NSNC2=O)C(=O)N(C)[N-]1	REAL300031962590	0	43	-1.0	-64.46	380.12	1.16	-63.30
CC1=CN=C(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2=NSNC2=O)C([O-])=C1	REAL300031962640	1	39	-1.0	-67.54	346.62	2.67	-64.87
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=C(O)C=CC(Cl)=C3[O-])C[C@H]21)C1=NSNC1=O	REAL300031962655	0	38	-1.0	-57.96	364.09	-0.67	-58.63
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CC([O-])=CS3)C[C@H]21)C1=NSNC1=O	REAL300031962677	0	34	-1.0	-64.46	320.63	0.13	-64.33
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CN([O-])C(=O)C=C3)C[C@H]21)C1=NSNC1=O	REAL300031962700	0	37	-1.0	-67.48	343.99	2.08	-65.40
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=CC(F)=CC(Cl)=C3[O-])C[C@H]21)C1=NSNC1=O	REAL300031962706	0	37	-1.0	-57.53	352.82	3.07	-54.46
CN1[N-]C(C(=O)N[C@@H]2[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]32)=CC1=O	REAL300031962947	0	37	-1.0	-53.37	336.08	0.12	-53.25
O=C(N[C@@H]1[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300031962957	1	40	-1.0	-70.50	358.48	0.48	-70.02
O=C(NC1CCC(NC(=O)C2=CN([O-])C(=O)C=C2)CC1)C1=NSNC1=O	REAL300031965351	0	42	-1.0	-72.48	362.94	2.18	-70.30
O=C(NC1CCC(NC(=O)C2=CC(=O)NC([O-])=C2)CC1)C1=NSNC1=O	REAL300031965465	0	42	-1.0	-51.40	367.84	-3.15	-54.55
O=C(NC1CCC(NC(=O)C2=NSNC2=O)CC1)C1=COC(=O)[N-]1	REAL300031965476	1	38	-1.0	-51.12	335.48	-2.89	-54.01
O=C([N-]C1CCC(NC(=O)C2=NSNC2=O)CC1)C(F)(F)C(F)(F)F	REAL300031965566	1	37	-1.0	-45.52	340.23	0.59	-44.93
CCN1[N-]C(C(=O)NC2CCC(NC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300031965646	0	45	-1.0	-55.20	389.28	0.33	-54.87
O=C(CC1=CC(=O)N[N-]1)NC1CCC(NC(=O)C2=NSNC2=O)CC1	REAL300031965654	1	42	-1.0	-60.15	365.40	-1.70	-61.85
O=C(NC1CCC(NC(=O)C2=CC=CC(=S)N2[O-])CC1)C1=NSNC1=O	REAL300031965672	0	42	-1.0	-90.81	375.92	3.80	-87.01
O=C(CC1SC(=O)[N-]C1=O)NC1CCC(NC(=O)C2=NSNC2=O)CC1	REAL300031965681	0	42	-1.0	-55.19	378.51	-3.17	-58.36
CN1N=C(C(=O)NC2CCC(NC(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300031965697	0	41	-1.0	-59.75	357.55	-1.71	-61.46
O=C(NC1CCC(NC(=O)C2=C[N-]N=CC2=O)CC1)C1=NSNC1=O	REAL300031965786	0	40	-1.0	-44.50	344.53	0.27	-44.23
O=C(NC1CCC(NC(=O)C2=NSNC2=O)CC1)C1=CC(=O)N[N-]1	REAL300031965885	0	39	-1.0	-53.06	340.30	-1.90	-54.96
C[PH](C)([O-])C(=O)C(=O)NC1CCC(NC(=O)C2=NSNC2=O)CC1	REAL300031965890	0	44	-1.0	-49.03	373.22	-0.60	-49.63
O=C(NC1CCC(NC(=O)C2=CC=CN([O-])C2=O)CC1)C1=NSNC1=O	REAL300031965921	0	42	-1.0	-59.44	360.51	2.32	-57.12
CC1SC(C(=O)NC2CCC(NC(=O)C3=NSNC3=O)CC2)=NC1=O	REAL300031965949	0	41	-1.0	-56.42	366.85	-1.78	-58.20
CC1=C([O-])N=C(C(=O)NC2CCC(NC(=O)C3=NSNC3=O)CC2)S1	REAL300031965949	1	41	-1.0	-56.42	366.85	-1.78	-58.20
O=C(NC1CCC(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1)C1=NSNC1=O	REAL300031965963	1	41	-1.0	-51.20	374.89	0.98	-50.22
O=C(NC1CCC(NC(=O)C2=CC(=O)N([O-])C=C2)CC1)C1=NSNC1=O	REAL300031965980	0	42	-1.0	-72.42	363.32	2.18	-70.24
O=C(NC1CCC(NC(=O)C2=CC=CC(=O)N2[O-])CC1)C1=NSNC1=O	REAL300031966013	0	42	-1.0	-86.98	364.81	2.75	-84.23
O=C(C[N-]C(=O)C(F)(F)F)NC1CCC(NC(=O)C2=NSNC2=O)CC1	REAL300031966135	0	41	-1.0	-49.69	370.43	-2.01	-51.70
NC1=NC([O-])=C(CC(=O)NC2CCC(NC(=O)C3=NSNC3=O)CC2)S1	REAL300031966136	0	43	-1.0	-69.50	386.07	-3.28	-72.78
O=C(CC1=NC([O-])=CS1)NC1CCC(NC(=O)C2=NSNC2=O)CC1	REAL300031966181	0	41	-1.0	-70.95	371.25	-2.41	-73.36
CCC1=NC=C(C(=O)NC2CCC(NC(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300031966199	1	46	-1.0	-46.84	385.42	0.62	-46.22
O=C(CN1N=CC(=O)[N-]C1=O)NC1CCC(NC(=O)C2=NSNC2=O)CC1	REAL300031966208	0	43	-1.0	-66.80	376.32	-3.42	-70.22
CC1=CC(=O)C(C(=O)NC2CCC(NC(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300031966410	0	43	-1.0	-57.76	373.46	1.46	-56.30
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O=C(C[N-]C(=O)C(F)(F)F)N1CCC(NC(=O)C2=NSNC2=O)C1	REAL300031990690	0	35	-1.0	-57.69	336.86	-2.74	-60.43
NC1=NC([O-])=C(CC(=O)N2CCC(NC(=O)C3=NSNC3=O)C2)S1	REAL300031990691	0	37	-1.0	-72.51	347.95	-3.55	-76.06
O=C(CC1=NC([O-])=CS1)N1CCC(NC(=O)C2=NSNC2=O)C1	REAL300031990770	0	35	-1.0	-70.86	333.11	-2.66	-73.52
CCC1=NC=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300031990802	0	40	-1.0	-63.71	358.03	-0.46	-64.17
CCC1=NC=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031990802	1	40	-1.0	-63.71	358.03	-0.46	-64.17
O=C(NC1CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=NSNC1=O	REAL300031990916	0	32	-1.0	-59.08	318.61	-1.59	-60.67
COCC1=NC=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031991056	1	41	-1.0	-63.95	370.96	-2.22	-66.17
O=C(NC1CCN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300031991071	1	44	-1.0	-63.45	388.95	1.14	-62.31
CC1=CC(=O)C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031991179	0	37	-1.0	-62.08	331.88	1.35	-60.73
O=C(NC1CCN(C(=O)C2=NC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300031991202	0	32	-1.0	-55.18	298.21	-3.30	-58.48
O=C(NC1CCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=NSNC1=O	REAL300031991233	1	37	-1.0	-54.29	347.66	0.29	-54.00
CC1=NC2=NC=C(C(=O)N3CCC(NC(=O)C4=NSNC4=O)C3)C(=O)N2[N-]1	REAL300031991269	0	40	-1.0	-61.78	365.24	2.29	-59.49
O=C(NC1CCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=NSNC1=O	REAL300031991396	0	35	-1.0	-70.88	336.25	-1.32	-72.20
COC1=NC(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300031991417	0	38	-1.0	-62.60	342.19	-3.94	-66.54
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=NC=CC=C1[O-]	REAL300031991671	1	35	-1.0	-70.89	315.34	1.02	-69.87
O=C(CCN1C=C[N-]C(=O)C1=O)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031991802	1	41	-1.0	-66.67	365.00	-0.22	-66.89
CC(=O)[N-]C1=NC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)=CS1	REAL300031991820	1	38	-1.0	-52.61	353.43	-0.84	-53.45
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300031991861	0	34	-1.0	-63.33	314.85	-4.48	-67.81
COC1=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300031991931	1	39	-1.0	-61.80	348.62	-3.16	-64.96
O=C(CN1C(=O)[N-]NC1=O)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031992142	0	36	-1.0	-66.36	328.95	-2.80	-69.16
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031992212	0	40	-1.0	-69.61	362.45	0.07	-69.54
O=C(CCCN1C(=O)[N-]NC1=O)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031993408	0	42	-1.0	-65.79	371.48	-1.60	-67.39
CC(C)CN1[N-]C(CC(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031993619	0	48	-1.0	-72.01	405.88	2.16	-69.85
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300031993679	1	41	-1.0	-54.33	359.60	0.68	-53.65
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031993932	0	41	-1.0	-50.05	364.81	-0.87	-50.92
CC1=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C(C)C)=N1	REAL300031994487	1	46	-1.0	-54.21	385.68	1.14	-53.07
O=C(CCC1=NNC(=O)[N-]C1=O)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031994834	0	40	-1.0	-62.30	358.45	-4.24	-66.54
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300031994844	0	38	-1.0	-65.75	346.30	2.93	-62.82
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(Cl)=CC=C1[O-]	REAL300031994863	1	36	-1.0	-68.97	334.85	3.24	-65.73
N#CC1=CC([O-])=CC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)=C1	REAL300031994904	1	37	-1.0	-53.80	341.07	1.49	-52.31
NC1=CC=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)C([O-])=C1Cl	REAL300031994941	0	38	-1.0	-75.26	346.64	1.21	-74.05
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C=C1Cl	REAL300031996959	1	36	-1.0	-61.59	332.77	1.64	-59.95
N#CC1=CC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)=C([O-])C=C1N	REAL300031996962	0	39	-1.0	-67.41	351.83	1.00	-66.41
O=C(CC1=NC([O-])=CS1)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031996977	0	35	-1.0	-79.35	329.88	-2.51	-81.86
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C=CC=C1F	REAL300031997005	1	36	-1.0	-62.77	330.01	1.07	-61.70
O=C(CN1[N-]C(=O)C=CC1=O)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031997009	0	38	-1.0	-65.86	345.02	-1.83	-67.69
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(F)C=C1[O-]	REAL300031997014	0	36	-1.0	-72.75	324.52	2.79	-69.96
CC1=CC=C(F)C([O-])=C1C(=O)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031997074	0	39	-1.0	-65.43	349.40	1.65	-63.78
O=C(CC1SC(=O)[N-]C1=O)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031997189	0	36	-1.0	-57.75	337.07	-3.26	-61.01
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(F)=C1F	REAL300031997223	0	36	-1.0	-65.99	330.89	1.27	-64.72
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300031997227	1	37	-1.0	-46.68	339.91	-0.09	-46.77
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(Cl)=C1[O-]	REAL300031997234	0	36	-1.0	-72.86	334.14	3.25	-69.61
CC1=CC(=O)C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300031997278	0	37	-1.0	-60.96	332.01	1.38	-59.58
O=C(C=C([O-])C1=CC=C(O)C=C1)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031997283	0	41	-1.0	-72.67	361.06	1.33	-71.34
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300031997322	0	36	-1.0	-93.46	323.38	2.66	-90.80
N#CC1=CC=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031997372	0	36	-1.0	-48.30	333.21	-0.37	-48.67
O=C(COC1=NC(=O)[N-]C(=O)N1)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031997373	0	38	-1.0	-64.12	350.17	-6.26	-70.38
O=C(COC1=NC(=O)NC(=O)[N-]1)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031997373	1	38	-1.0	-57.50	349.39	-6.12	-63.62
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300031997405	0	38	-1.0	-54.75	346.97	2.43	-52.32
CN1N=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300031997455	0	35	-1.0	-63.99	320.55	-2.20	-66.19
[N-]=[N+]=NC1=CC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)=CC=C1[O-]	REAL300031997502	0	38	-1.0	-60.61	348.07	-1.03	-61.64
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=C(F)C=CC(O)=C1O	REAL300031997549	0	37	-1.0	-68.66	340.69	-0.85	-69.51
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=C(F)C=CC(O)=C1[O-]	REAL300031997549	1	37	-1.0	-68.66	340.69	-0.85	-69.51
N#CC1=CC=C([O-])C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)=C1	REAL300031997564	0	37	-1.0	-65.42	338.95	3.15	-62.27
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)NC1=O	REAL300031997727	0	36	-1.0	-57.38	328.86	-0.71	-58.09
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300031997771	0	36	-1.0	-65.87	340.67	3.30	-62.57
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(F)C([O-])=C1	REAL300031997811	1	36	-1.0	-59.85	326.56	1.16	-58.69
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300031997821	1	41	-1.0	-83.13	358.89	3.21	-79.92
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300031997825	0	38	-1.0	-70.00	346.28	3.40	-66.60
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300031997829	0	38	-1.0	-60.69	346.29	3.40	-57.29
O=C([N-]C1CCN(C(=O)C2=NSNC2=O)C1)C(F)(F)C(F)(F)F	REAL300031997831	0	31	-1.0	-51.04	302.60	-0.03	-51.07
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(Cl)C=C1[O-]	REAL300031997843	1	36	-1.0	-72.13	334.84	3.25	-68.88
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300031997875	0	38	-1.0	-53.94	348.42	1.77	-52.17
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)[N-]C(=O)N1	REAL300031997984	0	34	-1.0	-58.32	316.42	-5.46	-63.78
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)NC(=O)[N-]1	REAL300031997984	1	34	-1.0	-52.91	316.32	-4.59	-57.50
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C2N=NN([O-])C2=C1	REAL300031998035	0	38	-1.0	-75.00	342.42	0.17	-74.83
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300031998084	1	41	-1.0	-75.26	360.60	3.36	-71.90
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=C(Cl)C(=O)[N-]S1	REAL300031998085	0	32	-1.0	-58.88	320.86	-1.11	-59.99
NC1=NC=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031998114	1	36	-1.0	-53.85	321.81	-1.55	-55.40
CC1=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)[N-]C(=O)C(C#N)=C1	REAL300031998157	0	39	-1.0	-51.30	353.07	0.29	-51.01
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(F)C([O-])=C1F	REAL300031998186	0	36	-1.0	-76.29	330.85	1.24	-75.05
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300031998259	0	36	-1.0	-58.73	341.73	1.86	-56.87
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300031998268	1	37	-1.0	-57.27	340.41	0.62	-56.65
COC1=NC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300031998275	0	38	-1.0	-62.69	344.02	-4.40	-67.09
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C2N[N-]N=C2C1=O	REAL300031998278	0	38	-1.0	-70.29	338.61	1.08	-69.21
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=NC=CC(Cl)=C1[O-]	REAL300031998291	0	35	-1.0	-67.19	331.55	1.54	-65.65
O=C(CC1=CC=C([O-])C(Cl)=C1)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031998298	1	39	-1.0	-72.61	360.94	2.35	-70.26
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(Cl)C([O-])=C1	REAL300031998350	0	36	-1.0	-56.13	336.36	1.65	-54.48
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=NC=C1[O-]	REAL300031998362	1	35	-1.0	-72.26	313.40	0.92	-71.34
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300031998372	0	32	-1.0	-61.40	298.04	-1.93	-63.33
CC1=C([O-])N=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)S1	REAL300031998423	1	35	-1.0	-61.04	329.84	-2.29	-63.33
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300031998504	1	42	-1.0	-76.71	363.05	5.06	-71.65
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300031998513	1	42	-1.0	-81.20	364.15	5.00	-76.20
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C([O-])C=C1	REAL300031998573	1	38	-1.0	-61.46	340.67	0.96	-60.50
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300031998613	0	35	-1.0	-71.22	338.67	-0.82	-72.04
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300031998651	1	35	-1.0	-54.07	333.45	0.88	-53.19
CSC1=NC=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300031998682	1	38	-1.0	-53.69	349.75	-0.38	-54.07
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)NC([O-])=C1	REAL300031998692	0	36	-1.0	-57.02	326.46	-3.25	-60.27
CCN1[N-]C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031998791	0	39	-1.0	-60.77	347.84	0.23	-60.54
O=C(CNC(=O)C1=NC=CC=C1[O-])NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031998803	1	42	-1.0	-71.65	374.38	-0.48	-72.13
CN1[N-]C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300031998817	0	36	-1.0	-59.97	326.11	-0.68	-60.65
O=C(NC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300031998831	1	39	-1.0	-80.63	348.82	-0.30	-80.93
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=NSNC2=O)C1	REAL300031998836	0	36	-1.0	-63.52	340.34	-2.59	-66.11
CC1=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300031998838	1	38	-1.0	-77.39	352.92	-1.04	-78.43
CC1=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C2CC2)=N1	REAL300031998849	1	44	-1.0	-54.76	375.85	1.35	-53.41
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC(NC(=O)C2=NSNC2=O)C1	REAL300032000136	0	38	-1.0	-59.38	348.39	-2.03	-61.41
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NSNC1=O	REAL300032000151	0	32	-1.0	-60.18	298.51	-2.26	-62.44
O=C(NC1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=NSNC1=O	REAL300032000173	0	36	-1.0	-59.68	338.36	-1.26	-60.94
O=C(NC1CCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1)C1=NSNC1=O	REAL300032000213	1	37	-1.0	-54.05	349.55	-0.71	-54.76
O=C(NCC1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300032000740	1	44	-1.0	-60.75	390.11	0.72	-60.03
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC(CNC(=O)C2=NSNC2=O)C1	REAL300032001379	0	45	-1.0	-60.76	396.19	-1.24	-62.00
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCC(CNC(=O)C2=NSNC2=O)C1	REAL300032001595	0	43	-1.0	-58.98	383.84	-3.93	-62.91
CC(=O)[N-]C1=NC(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C2)=CS1	REAL300032001596	1	41	-1.0	-48.99	374.60	-0.07	-49.06
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC(CNC(=O)C2=NSNC2=O)C1	REAL300032001754	1	44	-1.0	-63.08	389.44	0.25	-62.83
COC1=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300032001863	1	42	-1.0	-57.98	367.91	-2.69	-60.67
O=C(NCC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300032001977	0	37	-1.0	-58.03	335.81	-3.90	-61.93
O=C(CN1C(=O)[N-]NC1=O)N1CCC(CNC(=O)C2=NSNC2=O)C1	REAL300032002094	0	39	-1.0	-61.72	353.69	-2.47	-64.19
O=C(NCC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=NSNC1=O	REAL300032002952	0	39	-1.0	-64.81	354.58	1.94	-62.87
O=C(C[N-]C(=O)C(F)(F)F)N1CCC(CNC(=O)C2=NSNC2=O)C1	REAL300032004045	0	38	-1.0	-52.11	358.06	-2.14	-54.25
NC1=NC([O-])=C(CC(=O)N2CCC(CNC(=O)C3=NSNC3=O)C2)S1	REAL300032004046	0	40	-1.0	-74.42	369.32	-2.98	-77.40
O=C(CC1=NC([O-])=CS1)N1CCC(CNC(=O)C2=NSNC2=O)C1	REAL300032004106	0	38	-1.0	-75.77	354.37	-2.05	-77.82
CCC1=NC=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032004131	1	43	-1.0	-59.27	379.28	0.07	-59.20
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC(CNC(=O)C2=NSNC2=O)C1	REAL300032004143	0	40	-1.0	-66.43	363.88	-3.52	-69.95
O=C(NCC1CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=NSNC1=O	REAL300032004220	0	35	-1.0	-54.93	339.74	-0.97	-55.90
COCC1=NC=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032004327	0	44	-1.0	-61.30	392.23	-1.64	-62.94
COCC1=NC=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032004327	1	44	-1.0	-61.30	392.23	-1.64	-62.94
CC1=CC(=O)C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032004428	0	40	-1.0	-56.42	353.20	1.91	-54.51
O=C(NCC1CCN(C(=O)C2=NNC(=O)[N-]2)C1)C1=NSNC1=O	REAL300032004447	0	35	-1.0	-56.70	319.36	-3.35	-60.05
O=C(NCC1CCN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C1)C1=NSNC1=O	REAL300032004472	0	40	-1.0	-53.99	369.13	0.90	-53.09
O=C(NCC1CCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=NSNC1=O	REAL300032004472	1	40	-1.0	-53.99	369.13	0.90	-53.09
O=C(NCC1CCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=NSNC1=O	REAL300032004610	0	38	-1.0	-67.59	357.58	-0.77	-68.36
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=NC=CC=C1O	REAL300032004889	0	38	-1.0	-67.20	336.61	1.64	-65.56
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=NC=CC=C1[O-]	REAL300032004889	1	38	-1.0	-67.20	336.61	1.64	-65.56
O=C(CCN1C=C[N-]C(=O)C1=O)NCC1CCN(C(=O)C2=NSNC2=O)C1	REAL300032005009	1	44	-1.0	-64.91	386.25	0.37	-64.54
CC(=O)[N-]C1=NC(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)=CS1	REAL300032005021	1	41	-1.0	-54.64	374.69	-0.24	-54.88
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300032005053	0	37	-1.0	-60.52	336.12	-3.86	-64.38
COC1=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300032005107	1	42	-1.0	-62.31	369.70	-2.58	-64.89
O=C(CN1C(=O)[N-]NC1=O)NCC1CCN(C(=O)C2=NSNC2=O)C1	REAL300032005276	0	39	-1.0	-61.49	350.29	-2.26	-63.75
O=C(CCCN1C(=O)[N-]NC1=O)NCC1CCN(C(=O)C2=NSNC2=O)C1	REAL300032006266	0	45	-1.0	-61.03	392.80	-1.05	-62.08
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300032006473	1	44	-1.0	-58.96	380.54	1.34	-57.62
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300032008033	0	41	-1.0	-60.84	367.53	3.50	-57.34
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300032008098	0	36	-1.0	-56.90	324.56	-1.83	-58.73
C[PH](C)([O-])C(=O)C(=O)NCC1CCN(C(=O)C2=NSNC2=O)C1	REAL300032008106	0	41	-1.0	-56.98	357.34	-0.48	-57.46
COCC1=NC=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032008172	0	44	-1.0	-58.14	382.63	-1.07	-59.21
COCC1=NC=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032008172	1	44	-1.0	-58.14	382.63	-1.07	-59.21
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N([O-])C=C1	REAL300032008232	0	39	-1.0	-73.87	347.57	2.25	-71.62
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)N[N-]1	REAL300032008267	0	35	-1.0	-57.89	319.15	-3.11	-61.00
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=C(O)C=CC=C1Cl	REAL300032008272	0	39	-1.0	-65.23	360.78	2.05	-63.18
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C=CC=C1Cl	REAL300032008272	1	39	-1.0	-65.23	360.78	2.05	-63.18
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=CN([O-])C1=O	REAL300032008280	0	39	-1.0	-71.20	344.79	2.40	-68.80
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=C(F)C=CC(O)=C1F	REAL300032008317	0	39	-1.0	-60.06	357.65	1.63	-58.43
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=C(F)C=CC([O-])=C1F	REAL300032008317	1	39	-1.0	-60.06	357.65	1.63	-58.43
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(F)=CC=C1O	REAL300032008512	0	39	-1.0	-63.79	345.80	3.40	-60.39
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(F)=CC=C1[O-]	REAL300032008512	1	39	-1.0	-63.79	345.80	3.40	-60.39
CC1=CC=NC(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)=C1O	REAL300032008604	0	41	-1.0	-67.02	356.93	2.33	-64.69
CC1=CC=NC(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300032008604	1	41	-1.0	-67.02	356.93	2.33	-64.69
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=CC(O)=C1	REAL300032008775	0	38	-1.0	-62.46	336.58	-0.08	-62.54
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=CC([O-])=C1	REAL300032008775	1	38	-1.0	-62.46	336.58	-0.08	-62.54
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=S)N1[O-]	REAL300032008788	0	39	-1.0	-88.31	355.82	4.29	-84.02
NC1=CC(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)=CC(O)=C1Cl	REAL300032008944	0	41	-1.0	-60.66	370.26	0.19	-60.47
NC1=CC(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)=CC([O-])=C1Cl	REAL300032008944	1	41	-1.0	-60.66	370.26	0.19	-60.47
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(Cl)=N1	REAL300032008949	0	38	-1.0	-55.01	354.93	0.48	-54.53
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C=C1Cl	REAL300032009011	1	39	-1.0	-59.45	354.04	2.23	-57.22
N#CC1=CC(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)=C([O-])C=C1N	REAL300032009014	0	42	-1.0	-63.19	373.10	1.62	-61.57
O=C(CC1=NC([O-])=CS1)NCC1CCN(C(=O)C2=NSNC2=O)C1	REAL300032009026	0	38	-1.0	-75.28	350.94	-1.87	-77.15
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C=CC=C1F	REAL300032009048	1	39	-1.0	-61.95	351.29	1.67	-60.28
O=C(CN1[N-]C(=O)C=CC1=O)NCC1CCN(C(=O)C2=NSNC2=O)C1	REAL300032009051	0	41	-1.0	-61.50	366.20	-1.20	-62.70
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(F)C=C1[O-]	REAL300032009053	0	39	-1.0	-66.43	345.78	3.40	-63.03
CC1=CC=C(F)C([O-])=C1C(=O)NCC1CCN(C(=O)C2=NSNC2=O)C1	REAL300032009101	0	42	-1.0	-65.61	370.73	2.22	-63.39
O=C(CC1SC(=O)[N-]C1=O)NCC1CCN(C(=O)C2=NSNC2=O)C1	REAL300032009190	0	39	-1.0	-56.17	358.34	-2.66	-58.83
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(F)=C1F	REAL300032009223	0	39	-1.0	-62.46	352.15	1.87	-60.59
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300032009226	1	40	-1.0	-49.37	361.09	0.51	-48.86
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(Cl)=C1[O-]	REAL300032009232	0	39	-1.0	-66.58	355.42	3.87	-62.71
CC1=CC(=O)C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032009269	0	40	-1.0	-59.49	353.28	1.98	-57.51
O=C(C=C([O-])C1=CC=C(O)C=C1)NCC1CCN(C(=O)C2=NSNC2=O)C1	REAL300032009275	0	44	-1.0	-69.89	383.11	1.82	-68.07
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300032009307	0	39	-1.0	-84.95	344.71	3.24	-81.71
N#CC1=CC=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032009350	0	39	-1.0	-52.85	354.55	0.22	-52.63
O=C(COC1=NC(=O)[N-]C(=O)N1)NCC1CCN(C(=O)C2=NSNC2=O)C1	REAL300032009351	0	41	-1.0	-62.53	371.50	-5.72	-68.25
O=C(COC1=NC(=O)NC(=O)[N-]1)NCC1CCN(C(=O)C2=NSNC2=O)C1	REAL300032009351	1	41	-1.0	-56.05	371.44	-5.64	-61.69
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300032009380	0	41	-1.0	-55.49	365.82	3.38	-52.11
CN1N=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300032009424	0	38	-1.0	-62.90	341.89	-1.59	-64.49
[N-]=[N+]=NC1=CC(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)=CC=C1[O-]	REAL300032009459	0	41	-1.0	-57.57	369.27	-0.43	-58.00
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=C(F)C=CC(O)=C1O	REAL300032009501	0	40	-1.0	-62.81	362.02	-0.28	-63.09
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=C(F)C=CC(O)=C1[O-]	REAL300032009501	1	40	-1.0	-62.81	362.02	-0.28	-63.09
N#CC1=CC=C([O-])C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)=C1	REAL300032009511	0	40	-1.0	-61.28	360.22	3.76	-57.52
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)NC1=O	REAL300032009638	0	39	-1.0	-58.04	350.04	-0.12	-58.16
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(F)C([O-])=C1	REAL300032009703	1	39	-1.0	-68.22	347.77	1.76	-66.46
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300032009712	1	44	-1.0	-76.77	380.16	3.83	-72.94
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300032009715	0	41	-1.0	-63.47	367.55	4.00	-59.47
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300032009718	0	41	-1.0	-57.46	367.56	4.01	-53.45
O=C([N-]CC1CCN(C(=O)C2=NSNC2=O)C1)C(F)(F)C(F)(F)F	REAL300032009720	1	34	-1.0	-50.05	325.96	0.56	-49.49
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(Cl)C=C1[O-]	REAL300032009731	1	39	-1.0	-66.10	356.11	3.85	-62.25
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300032009752	0	41	-1.0	-55.34	369.75	2.35	-52.99
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)[N-]C(=O)N1	REAL300032009830	0	37	-1.0	-61.61	337.68	-4.88	-66.49
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)NC(=O)[N-]1	REAL300032009830	1	37	-1.0	-54.21	338.38	-4.14	-58.35
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C2N=NN([O-])C2=C1	REAL300032009864	0	41	-1.0	-69.51	363.76	0.76	-68.75
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300032009905	1	44	-1.0	-71.49	381.87	3.95	-67.54
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=C(Cl)C(=O)[N-]S1	REAL300032009906	0	35	-1.0	-57.81	342.12	-0.53	-58.34
NC1=NC=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032009929	1	39	-1.0	-57.91	343.01	-0.96	-58.87
CC1=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)[N-]C(=O)C(C#N)=C1	REAL300032009960	0	42	-1.0	-55.91	374.44	0.86	-55.05
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(F)C([O-])=C1F	REAL300032009980	0	39	-1.0	-70.56	352.12	1.83	-68.73
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300032010040	1	40	-1.0	-57.56	361.75	1.21	-56.35
COC1=NC(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300032010046	0	41	-1.0	-60.84	365.28	-3.81	-64.65
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C2N[N-]N=C2C1=O	REAL300032010048	0	41	-1.0	-64.08	359.95	1.66	-62.42
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=NC=CC(Cl)=C1[O-]	REAL300032010061	0	38	-1.0	-63.31	352.81	2.15	-61.16
O=C(CC1=CC=C([O-])C(Cl)=C1)NCC1CCN(C(=O)C2=NSNC2=O)C1	REAL300032010067	1	42	-1.0	-66.82	382.27	2.91	-63.91
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(Cl)C([O-])=C1	REAL300032010108	0	39	-1.0	-63.86	357.57	2.25	-61.61
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=NC=C1[O-]	REAL300032010119	1	38	-1.0	-66.40	334.67	1.51	-64.89
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300032010129	0	35	-1.0	-61.53	319.31	-1.33	-62.86
CC1=C([O-])N=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)S1	REAL300032010164	1	38	-1.0	-65.29	351.10	-1.70	-66.99
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300032010234	1	45	-1.0	-70.98	384.32	5.68	-65.30
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300032010242	1	45	-1.0	-74.15	385.41	5.60	-68.55
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C([O-])C=C1	REAL300032010292	1	41	-1.0	-59.54	362.21	1.53	-58.01
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300032010329	0	38	-1.0	-69.72	359.93	-0.24	-69.96
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300032010364	1	38	-1.0	-53.60	354.71	1.47	-52.13
CSC1=NC=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032010390	1	41	-1.0	-58.21	370.95	0.21	-58.00
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)NC([O-])=C1	REAL300032010398	0	39	-1.0	-56.48	347.66	-2.66	-59.14
CCN1[N-]C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032010480	0	42	-1.0	-60.07	369.11	0.81	-59.26
CN1[N-]C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032010502	0	39	-1.0	-59.30	347.38	-0.12	-59.42
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=NSNC2=O)C1	REAL300032010519	0	39	-1.0	-60.81	361.59	-2.01	-62.82
CC1=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300032010521	1	41	-1.0	-74.62	374.97	-0.72	-75.34
O=C(CC1=CC(=O)N[N-]1)NCC1CCN(C(=O)C2=NSNC2=O)C1	REAL300032010697	1	39	-1.0	-63.84	345.08	-1.16	-65.00
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(F)=C1	REAL300032010703	1	39	-1.0	-62.83	347.73	1.79	-61.04
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(F)=C([O-])C(F)=C1	REAL300032010765	0	39	-1.0	-62.26	353.94	1.86	-60.40
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=NC(Cl)=C1[O-]	REAL300032010771	0	38	-1.0	-64.58	350.85	1.98	-62.60
CC1=C(CC(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300032010791	0	45	-1.0	-66.28	388.08	1.20	-65.08
CC1=CN=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300032010840	1	41	-1.0	-68.59	358.06	2.27	-66.32
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=C(O)C=CC(Cl)=C1[O-]	REAL300032010854	0	40	-1.0	-60.33	371.75	-0.60	-60.93
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC([O-])=CS1	REAL300032010874	0	36	-1.0	-65.80	333.79	0.65	-65.15
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)C=C1	REAL300032010896	0	39	-1.0	-73.06	347.20	2.26	-70.80
O=C(NC1CCCC(NC(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300032012838	0	40	-1.0	-59.58	356.30	-4.39	-63.97
O=C(CN1C(=O)[N-]NC1=O)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300032012922	0	42	-1.0	-62.33	370.40	-2.72	-65.05
CC1=C(CC(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300032013991	0	48	-1.0	-66.34	408.21	0.73	-65.61
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300032014047	0	39	-1.0	-57.44	340.30	-1.89	-59.33
C[PH](C)([O-])C(=O)C(=O)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300032014052	0	44	-1.0	-52.62	377.65	-1.00	-53.62
CN1[N-]C(CC(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032014055	0	45	-1.0	-67.75	388.23	0.04	-67.71
O=C(NC1CCCC(NC(=O)C2=CC=CN([O-])C2=O)C1)C1=NSNC1=O	REAL300032014083	0	42	-1.0	-58.68	360.52	2.33	-56.35
CC1=C([O-])N=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)S1	REAL300032014111	1	41	-1.0	-54.95	366.84	-1.78	-56.73
O=C(NC1CCCC(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=NSNC1=O	REAL300032014125	1	41	-1.0	-45.84	370.45	1.39	-44.45
O=C(NC1CCCC(NC(=O)C2=CC(=O)N([O-])C=C2)C1)C1=NSNC1=O	REAL300032014142	0	42	-1.0	-68.80	363.31	2.17	-66.63
O=C(NC1CCCC(NC(=O)C2=CC=CC(=O)N2[O-])C1)C1=NSNC1=O	REAL300032014175	0	42	-1.0	-80.74	360.38	3.17	-77.57
O=C(C[N-]C(=O)C(F)(F)F)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300032014297	0	41	-1.0	-48.51	370.43	-2.01	-50.52
NC1=NC([O-])=C(CC(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)S1	REAL300032014298	0	43	-1.0	-71.23	381.63	-2.85	-74.08
O=C(CC1=NC([O-])=CS1)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300032014343	0	41	-1.0	-76.49	371.24	-2.40	-78.89
CCC1=NC=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032014361	1	46	-1.0	-46.20	385.42	0.63	-45.57
O=C(CN1N=CC(=O)[N-]C1=O)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300032014370	0	43	-1.0	-66.45	380.75	-3.83	-70.28
CC1=CC(=O)C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032014572	0	43	-1.0	-57.20	373.45	1.47	-55.73
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]1	REAL300032014587	0	38	-1.0	-52.37	334.79	-3.36	-55.73
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300032014698	0	41	-1.0	-63.99	375.68	-0.30	-64.29
COC1=NC(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300032014711	0	44	-1.0	-54.15	381.03	-3.87	-58.02
O=C(NC1CCCC(NC(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300032014967	1	41	-1.0	-67.27	356.78	1.12	-66.15
O=C(NC1CCCC(NC(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300032015090	0	40	-1.0	-59.58	356.30	-4.39	-63.97
O=C(CN1C(=O)[N-]NC1=O)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300032015250	0	42	-1.0	-62.33	370.40	-2.72	-65.05
O=C(NC1CCCC(NC(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=NSNC1=O	REAL300032016569	1	42	-1.0	-57.65	371.85	3.78	-53.87
N#CC1=CC([O-])=CC(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=C1	REAL300032016594	1	43	-1.0	-47.18	378.14	2.00	-45.18
CCC1=NC=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032016677	1	46	-1.0	-46.20	385.42	0.63	-45.57
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=COC(=O)[N-]1	REAL300032016695	1	38	-1.0	-48.82	335.48	-2.88	-51.70
O=C(C[N-]C(=O)C(F)(F)F)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300032016762	0	41	-1.0	-48.51	370.43	-2.01	-50.52
NC1=NC([O-])=C(CC(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)S1	REAL300032016763	0	43	-1.0	-71.23	381.63	-2.85	-74.08
O=C(NC1CCCC(NC(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=NSNC1=O	REAL300032016772	0	42	-1.0	-52.27	377.99	1.17	-51.10
O=C(NC1CCCC(NC(=O)C2=CC=C([O-])C=C2F)C1)C1=NSNC1=O	REAL300032016787	1	42	-1.0	-54.62	361.81	1.73	-52.89
O=C(NC1CCCC(NC(=O)C2=CC([O-])=CC(=O)O2)C1)C1=NSNC1=O	REAL300032016793	0	41	-1.0	-50.59	360.62	0.86	-49.73
N#CC1=CC=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)C=C1[O-]	REAL300032016800	1	43	-1.0	-49.95	377.44	2.07	-47.88
O=C(NC1CCCC(NC(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=NSNC1=O	REAL300032016803	0	41	-1.0	-61.62	371.71	1.46	-60.16
O=C(CN1N=CC(=O)[N-]C1=O)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300032016819	0	43	-1.0	-66.45	380.75	-3.83	-70.28
O=C(NC1CCCC(NC(=O)C2=C[N-]N=CC2=O)C1)C1=NSNC1=O	REAL300032016897	0	40	-1.0	-44.56	348.96	-0.14	-44.70
O=C(NC1CCCC(NC(=O)C2=CC=CC(F)=C2[O-])C1)C1=NSNC1=O	REAL300032016906	0	42	-1.0	-66.38	361.35	3.31	-63.07
O=C(NC1CCCC(NC(=O)C2=CC=CC([O-])=C2F)C1)C1=NSNC1=O	REAL300032016992	1	42	-1.0	-65.64	361.67	1.70	-63.94
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300032017090	0	39	-1.0	-57.44	340.30	-1.89	-59.33
C[PH](C)([O-])C(=O)C(=O)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300032017096	0	44	-1.0	-52.62	377.65	-1.00	-53.62
O=C(NC1CCCC(NC(=O)C2=CC(=O)N([O-])C=C2)C1)C1=NSNC1=O	REAL300032017183	0	42	-1.0	-68.80	363.31	2.17	-66.63
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=NC(=O)N[N-]1	REAL300032017207	0	38	-1.0	-48.50	334.89	-3.20	-51.70
O=C(NC1CCCC(NC(=O)C2=C(O)C=CC=C2Cl)C1)C1=NSNC1=O	REAL300032017210	0	42	-1.0	-54.93	376.52	1.96	-52.97
O=C(NC1CCCC(NC(=O)C2=C([O-])C=CC=C2Cl)C1)C1=NSNC1=O	REAL300032017210	1	42	-1.0	-54.93	376.52	1.96	-52.97
O=C(NC1CCCC(NC(=O)C2=CC=CN([O-])C2=O)C1)C1=NSNC1=O	REAL300032017214	0	42	-1.0	-58.68	360.52	2.33	-56.35
O=C(NC1CCCC(NC(=O)C2=C(F)C=CC(O)=C2F)C1)C1=NSNC1=O	REAL300032017243	0	42	-1.0	-57.84	377.83	1.14	-56.70
O=C(NC1CCCC(NC(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=NSNC1=O	REAL300032017243	1	42	-1.0	-57.84	377.83	1.14	-56.70
O=C(NC1CCCC(NC(=O)C2=CC(F)=CC=C2O)C1)C1=NSNC1=O	REAL300032017378	0	42	-1.0	-57.18	361.54	3.32	-53.86
O=C(NC1CCCC(NC(=O)C2=CC(F)=CC=C2[O-])C1)C1=NSNC1=O	REAL300032017378	1	42	-1.0	-57.18	361.54	3.32	-53.86
CC1=CC=NC(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=C1O	REAL300032017441	0	44	-1.0	-67.14	372.68	2.24	-64.90
CC1=CC=NC(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300032017441	1	44	-1.0	-67.14	372.68	2.24	-64.90
O=C(NC1CCCC(NC(=O)C2=CN=CC(O)=C2)C1)C1=NSNC1=O	REAL300032017545	0	41	-1.0	-56.37	352.31	-0.16	-56.53
O=C(NC1CCCC(NC(=O)C2=CN=CC([O-])=C2)C1)C1=NSNC1=O	REAL300032017545	1	41	-1.0	-56.37	352.31	-0.16	-56.53
O=C(NC1CCCC(NC(=O)C2=CC=CC(=S)N2[O-])C1)C1=NSNC1=O	REAL300032017555	0	42	-1.0	-85.04	371.49	4.21	-80.83
O=C(NC1CCCC(NC(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=NSNC1=O	REAL300032017662	0	41	-1.0	-49.53	375.09	-0.02	-49.55
O=C(NC1CCCC(NC(=O)C2=CC=C(O)C=C2Cl)C1)C1=NSNC1=O	REAL300032017700	0	42	-1.0	-53.21	369.78	2.17	-51.04
O=C(NC1CCCC(NC(=O)C2=CC=C([O-])C=C2Cl)C1)C1=NSNC1=O	REAL300032017700	1	42	-1.0	-53.21	369.78	2.17	-51.04
O=C(CC1=NC([O-])=CS1)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300032017711	0	41	-1.0	-76.49	371.24	-2.40	-78.89
O=C(NC1CCCC(NC(=O)C2=C(O)C=CC=C2F)C1)C1=NSNC1=O	REAL300032017726	0	42	-1.0	-54.95	367.03	1.58	-53.37
O=C(NC1CCCC(NC(=O)C2=C([O-])C=CC=C2F)C1)C1=NSNC1=O	REAL300032017726	1	42	-1.0	-54.95	367.03	1.58	-53.37
O=C(CN1[N-]C(=O)C=CC1=O)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300032017728	0	44	-1.0	-62.83	386.52	-1.73	-64.56
O=C(CC1SC(=O)[N-]C1=O)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300032017821	0	42	-1.0	-54.75	378.52	-3.16	-57.91
O=C(NC1CCCC(NC(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=NSNC1=O	REAL300032017846	0	42	-1.0	-57.02	367.89	1.82	-55.20
O=C(NC1CCCC(NC(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300032017852	0	42	-1.0	-60.88	371.15	3.78	-57.10
CC1=CC(=O)C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032017880	0	43	-1.0	-57.20	373.45	1.47	-55.73
O=C(NC1CCCC(NC(=O)C2=CC=CC(=O)N2[O-])C1)C1=NSNC1=O	REAL300032017905	0	42	-1.0	-80.74	360.38	3.17	-77.57
N#CC1=CC=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032017933	0	42	-1.0	-44.59	374.66	-0.26	-44.85
CN1N=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300032017979	0	41	-1.0	-55.28	357.62	-1.70	-56.98
O=C(NC1CCCC(NC(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=NSNC1=O	REAL300032018028	1	43	-1.0	-62.00	382.20	-0.77	-62.77
N#CC1=CC=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300032018029	0	43	-1.0	-58.74	375.91	3.64	-55.10
N#CC1=CC=C([O-])C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=C1	REAL300032018037	0	43	-1.0	-54.67	375.96	3.67	-51.00
O=C(NC1CCCC(NC(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=NSNC1=O	REAL300032018120	0	42	-1.0	-53.65	370.15	-0.60	-54.25
O=C(NC1CCCC(NC(=O)C2=CC=C(F)C([O-])=C2)C1)C1=NSNC1=O	REAL300032018171	1	42	-1.0	-53.32	363.51	1.69	-51.63
O=C([N-]C1CCCC(NC(=O)C2=NSNC2=O)C1)C(F)(F)C(F)(F)F	REAL300032018181	1	37	-1.0	-40.74	338.20	0.39	-40.35
O=C(NC1CCCC(NC(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=NSNC1=O	REAL300032018189	1	42	-1.0	-60.41	371.85	3.77	-56.64
O=C(NC1CCCC(NC(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300032018256	0	40	-1.0	-49.25	358.51	-4.60	-53.85
O=C(NC1CCCC(NC(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300032018256	1	40	-1.0	-49.25	358.51	-4.60	-53.85
NC1=NC=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032018310	0	42	-1.0	-46.80	358.73	-1.02	-47.82
NC1=NC=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032018310	1	42	-1.0	-46.80	358.73	-1.02	-47.82
O=C(NC1CCCC(NC(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300032018394	0	41	-1.0	-63.38	372.98	1.64	-61.74
O=C(NC1CCCC(NC(=O)C2=CC=NC=C2O)C1)C1=NSNC1=O	REAL300032018441	0	41	-1.0	-68.59	354.84	1.02	-67.57
O=C(NC1CCCC(NC(=O)C2=CC=NC=C2[O-])C1)C1=NSNC1=O	REAL300032018441	1	41	-1.0	-68.59	354.84	1.02	-67.57
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300032018447	0	38	-1.0	-53.79	335.05	-1.42	-55.21
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CC1=C([O-])N=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)S1	REAL300032018469	1	41	-1.0	-54.95	366.84	-1.78	-56.73
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O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C([O-])C=C1	REAL300032018561	1	44	-1.0	-52.80	377.62	1.50	-51.30
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300032018580	0	41	-1.0	-63.99	375.68	-0.30	-64.29
O=C(NC1CCCC(NC(=O)C2=CC(=O)C=C(Cl)N2)C1)C1=NSNC1=O	REAL300032018601	0	41	-1.0	-45.84	370.45	1.39	-44.45
O=C(NC1CCCC(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=NSNC1=O	REAL300032018601	1	41	-1.0	-45.84	370.45	1.39	-44.45
CCN1[N-]C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032018678	0	45	-1.0	-52.26	384.85	0.75	-51.51
CN1[N-]C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032018697	0	42	-1.0	-51.53	363.12	-0.18	-51.71
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300032018707	0	42	-1.0	-55.17	377.28	-2.08	-57.25
O=C(CC1=CC(=O)NN1)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300032018834	0	42	-1.0	-65.56	365.40	-1.69	-67.25
O=C(CC1=CC(=O)N[N-]1)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300032018834	1	42	-1.0	-65.56	365.40	-1.69	-67.25
O=C(NC1CCCC(NC(=O)C2=CC=C(O)C(F)=C2)C1)C1=NSNC1=O	REAL300032018839	0	42	-1.0	-54.63	363.47	1.72	-52.91
O=C(NC1CCCC(NC(=O)C2=CC=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300032018839	1	42	-1.0	-54.63	363.47	1.72	-52.91
O=C(NC1CCCC(NC(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300032018885	0	42	-1.0	-59.44	374.11	1.39	-58.05
O=C(NC1CCCC(NC(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300032018890	0	41	-1.0	-66.82	371.02	1.48	-65.34
CC1=CN=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)C(O)=C1	REAL300032018941	0	44	-1.0	-68.63	378.23	1.76	-66.87
CC1=CN=C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300032018941	1	44	-1.0	-68.63	378.23	1.76	-66.87
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=CC([O-])=CS1	REAL300032018962	0	39	-1.0	-64.72	349.53	0.58	-64.14
O=C(NC1CCCC(NC(=O)C2=CN([O-])C(=O)C=C2)C1)C1=NSNC1=O	REAL300032018978	0	42	-1.0	-70.18	362.94	2.17	-68.01
CN1[N-]C(C(=O)NC2CCCC(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032019130	0	42	-1.0	-51.53	363.12	-0.18	-51.71
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300032019137	0	42	-1.0	-55.17	377.28	-2.08	-57.25
O=C(NC1CCCC(NC(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300032019286	0	40	-1.0	-52.19	353.43	-4.95	-57.14
O=C(NC1CCCC(NC(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300032019286	1	40	-1.0	-49.25	358.51	-4.60	-53.85
O=C(CN1[N-]C(=O)C=CC1=O)NC1CCCC(NC(=O)C2=NSNC2=O)C1	REAL300032019425	0	44	-1.0	-62.83	386.52	-1.73	-64.56
O=C(NC1CCCC(NC(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300032019432	0	38	-1.0	-53.79	335.05	-1.42	-55.21
O=C(NC1CCCC(NC(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=NSNC1=O	REAL300032019443	0	42	-1.0	-53.65	370.15	-0.60	-54.25
O=C(NCC1=CC=C(CCNC(=O)C2=NSNC2=O)C=C1)C1=COC(=O)[N-]1	REAL300032019871	1	41	-1.0	-54.03	381.33	-1.54	-55.57
O=C(NCC1=CC=C(CCNC(=O)C2=NSNC2=O)C=C1)C1=CC(=O)N[N-]1	REAL300032019965	0	42	-1.0	-54.53	386.15	-0.55	-55.08
O=C(NCC1=CC=C(CCNC(=O)C2=NSNC2=O)C=C1)C1=NC(=O)N[N-]1	REAL300032020052	0	41	-1.0	-53.69	380.75	-1.84	-55.53
O=C(NCC1=CC=C(CCNC(=O)C2=NC=CC=C2[O-])C=C1)C1=NSNC1=O	REAL300032020238	1	44	-1.0	-65.38	398.20	2.90	-62.48
O=C(NCCC1=CC=C(CNC(=O)C2=NSNC2=O)C=C1)C1=COC(=O)[N-]1	REAL300032020473	1	41	-1.0	-51.49	381.32	-1.54	-53.03
O=C(NCCC1=CC=C(CNC(=O)C2=NSNC2=O)C=C1)C1=CC(=O)N[N-]1	REAL300032020543	0	42	-1.0	-52.68	386.15	-0.57	-53.25
O=C(NCCC1=CC=C(CNC(=O)C2=NSNC2=O)C=C1)C1=NC(=O)N[N-]1	REAL300032020558	0	41	-1.0	-51.59	380.74	-1.85	-53.44
O=C(NCC1=CC=C(CCNC(=O)C2=CN=CC([O-])=C2)C=C1)C1=NSNC1=O	REAL300032020619	1	44	-1.0	-60.52	398.16	1.17	-59.35
O=C(NCC1=CC=C(CCNC(=O)C2=CC=NC=C2[O-])C=C1)C1=NSNC1=O	REAL300032020742	1	44	-1.0	-66.27	396.26	2.78	-63.49
O=C(NCCC1=CC=C(CNC(=O)C2=NSNC2=O)C=C1)C1=CC(=O)[N-]O1	REAL300032020744	0	41	-1.0	-57.07	380.90	-0.08	-57.15
O=C(NCC1=CC=C(CCNC(=O)C2=NSNC2=O)C=C1)C1=CC(=O)[N-]O1	REAL300032020938	0	41	-1.0	-58.15	380.90	-0.06	-58.21
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300032022092	0	40	-1.0	-65.70	339.72	-1.73	-67.43
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300032022176	0	42	-1.0	-67.64	356.68	-0.20	-67.84
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300032022767	0	42	-1.0	-78.65	352.64	3.93	-74.72
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300032022881	0	42	-1.0	-57.48	358.18	-0.77	-58.25
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300032022892	1	38	-1.0	-55.60	323.12	0.55	-55.05
CCN1[N-]C(C(=O)N2CCCC(N(C)C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032023062	0	45	-1.0	-62.82	372.56	3.12	-59.70
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300032023070	1	42	-1.0	-70.12	351.67	0.88	-69.24
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300032023088	0	42	-1.0	-95.51	369.37	4.51	-91.00
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300032023097	0	42	-1.0	-60.42	365.25	-0.58	-61.00
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300032023113	0	41	-1.0	-66.71	345.53	0.65	-66.06
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300032023202	0	40	-1.0	-64.43	342.00	1.99	-62.44
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300032023301	0	39	-1.0	-59.28	328.15	0.45	-58.83
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300032023306	0	44	-1.0	-60.74	362.39	1.50	-59.24
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300032023337	0	42	-1.0	-77.60	357.40	4.11	-73.49
CC1SC(C(=O)N2CCCC(N(C)C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300032023365	0	41	-1.0	-65.29	354.61	1.28	-64.01
CC1=C([O-])N=C(C(=O)N2CCCC(N(C)C(=O)C3=NSNC3=O)C2)S1	REAL300032023365	1	41	-1.0	-65.29	354.61	1.28	-64.01
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)C=C(Cl)N2)C1	REAL300032023379	0	41	-1.0	-55.81	360.35	3.80	-52.01
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300032023379	1	41	-1.0	-55.81	360.35	3.80	-52.01
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300032023396	0	42	-1.0	-73.42	358.67	4.13	-69.29
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300032023429	0	42	-1.0	-91.74	358.26	3.88	-87.86
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300032023552	0	43	-1.0	-83.86	372.33	-0.71	-84.57
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300032023597	0	41	-1.0	-78.56	357.52	0.17	-78.39
CCC1=NC=C(C(=O)N2CCCC(N(C)C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032023615	0	46	-1.0	-63.80	382.19	2.30	-61.50
CCC1=NC=C(C(=O)N2CCCC(N(C)C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032023615	1	46	-1.0	-63.80	382.19	2.30	-61.50
CC1=CC(=O)C(C(=O)N2CCCC(N(C)C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032023826	0	43	-1.0	-63.77	356.75	4.16	-59.61
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NNC(=O)[N-]2)C1	REAL300032023841	0	38	-1.0	-63.23	322.27	-0.99	-64.22
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300032023952	0	41	-1.0	-72.28	362.62	1.40	-70.88
COC1=NC(C(=O)N2CCCC(N(C)C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300032023965	0	44	-1.0	-64.07	367.07	-0.97	-65.04
CN(C(=O)C1=NC=CC=C1[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032024221	1	41	-1.0	-60.47	339.74	4.13	-56.34
CN(C(=O)C1=NNC(=O)[N-]C1=O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032024344	0	40	-1.0	-67.24	339.67	-1.73	-68.97
CN(C(=O)CN1C(=O)[N-]NC1=O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032024504	0	42	-1.0	-67.58	356.32	-0.34	-67.92
CN(C(=O)C1=CC(Cl)=CC=C1[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032025823	1	42	-1.0	-57.49	359.50	5.09	-52.40
CN(C(=O)C1=CC([O-])=CC(C#N)=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032025848	1	43	-1.0	-56.79	365.03	3.63	-53.16
CCC1=NC=C(C(=O)N(C)C2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032025931	1	46	-1.0	-47.74	374.47	2.10	-45.64
CN(C(=O)C1=COC(=O)[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032025949	1	38	-1.0	-46.69	322.85	0.45	-46.24
CN(C(=O)C[N-]C(=O)C(F)(F)F)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026016	0	41	-1.0	-47.96	360.79	-0.06	-48.02
CN(C(=O)CC1=C([O-])N=C(N)S1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026017	0	43	-1.0	-82.80	371.97	-0.87	-83.67
CN(C(=O)C1=C(F)C=C([O-])C=C1F)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026026	0	42	-1.0	-58.21	364.10	3.53	-54.68
CN(C(=O)C1=CC=C([O-])C=C1F)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026041	1	42	-1.0	-56.17	349.10	3.35	-52.82
CN(C(=O)C1=CC([O-])=CC(=O)O1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026047	0	41	-1.0	-51.38	348.65	2.79	-48.59
CN(C(=O)C1=CC=C(C#N)C([O-])=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026054	1	43	-1.0	-69.16	364.35	3.67	-65.49
CN(C(=O)C1=CC(Cl)=NC=C1[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026057	0	41	-1.0	-54.60	354.85	3.17	-51.43
CN(C(=O)CN1N=CC(=O)[N-]C1=O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026073	0	43	-1.0	-74.08	366.66	-1.47	-75.55
CC1=CC=C([O-])C(C(=O)N(C)C2CCCN(C(=O)C3=NSNC3=O)C2)=N1	REAL300032026133	1	44	-1.0	-77.07	361.69	4.69	-72.38
CN(C(=O)C1=C[N-]N=CC1=O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026151	0	40	-1.0	-55.09	333.58	1.83	-53.26
CN(C(=O)C1=CC=CC(F)=C1[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026160	0	42	-1.0	-65.01	352.33	4.13	-60.88
CN(C(=O)C1=CC=CC([O-])=C1F)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026246	1	42	-1.0	-64.04	352.59	3.16	-60.88
CN(C(=O)C1=CC(=O)N[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026344	0	39	-1.0	-48.70	327.51	0.39	-48.31
CN(C(=O)C(=O)[PH](C)(C)[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026350	0	44	-1.0	-48.93	362.59	1.83	-47.10
CN(C(=O)C1=CC(=O)N([O-])C=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026437	0	42	-1.0	-78.93	350.23	3.79	-75.14
CN(C(=O)C1=NNC(=O)[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026461	0	38	-1.0	-54.26	324.17	-1.42	-55.68
CN(C(=O)C1=C(O)C=CC=C1Cl)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026464	0	42	-1.0	-54.45	367.10	3.91	-50.54
CN(C(=O)C1=C([O-])C=CC=C1Cl)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026464	1	42	-1.0	-54.45	367.10	3.91	-50.54
CN(C(=O)C1=CC=CN([O-])C1=O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026468	0	42	-1.0	-62.51	350.37	3.77	-58.74
CN(C(=O)C1=C(F)C=CC(O)=C1F)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026497	0	42	-1.0	-67.09	363.94	3.50	-63.59
CN(C(=O)C1=C(F)C=CC([O-])=C1F)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026497	1	42	-1.0	-67.09	363.94	3.50	-63.59
CN(C(=O)C1=CC(F)=CC=C1O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026632	0	42	-1.0	-56.95	349.18	4.64	-52.31
CN(C(=O)C1=CC(F)=CC=C1[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026632	1	42	-1.0	-56.95	349.18	4.64	-52.31
CC1=CC=NC(C(=O)N(C)C2CCCN(C(=O)C3=NSNC3=O)C2)=C1O	REAL300032026695	0	44	-1.0	-75.82	360.39	4.79	-71.03
CC1=CC=NC(C(=O)N(C)C2CCCN(C(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300032026695	1	44	-1.0	-75.82	360.39	4.79	-71.03
CN(C(=O)C1=CN=CC(O)=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026799	0	41	-1.0	-65.60	340.82	1.39	-64.21
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CN(C(=O)C1=CC=C([O-])C=C1Cl)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026954	1	42	-1.0	-54.37	357.27	3.80	-50.57
CN(C(=O)CC1=NC([O-])=CS1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032026965	0	41	-1.0	-81.86	357.87	-0.06	-81.92
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CN(C(=O)C1=CC=CC(Cl)=C1[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027106	0	42	-1.0	-59.73	362.13	4.60	-55.13
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CN(C(=O)C1=CC=CC(=O)N1[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027159	0	42	-1.0	-83.84	347.80	4.72	-79.12
CN(C(=O)C1=CC=C(C#N)[N-]C1=O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027187	0	42	-1.0	-47.61	367.18	1.69	-45.92
CN(C(=O)C1=NN(C)C(=O)[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027233	0	41	-1.0	-67.58	345.13	0.56	-67.02
CN(C(=O)C1=C(F)C=CC(O)=C1O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027282	0	43	-1.0	-73.80	368.31	1.60	-72.20
CN(C(=O)C1=C(F)C=CC(O)=C1[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027282	1	43	-1.0	-73.80	368.31	1.60	-72.20
CN(C(=O)C1=CC(C#N)=CC=C1[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027291	0	43	-1.0	-54.23	363.62	5.00	-49.23
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CN(C(=O)C1=CC=C(F)C(O)=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027425	0	42	-1.0	-61.06	350.39	3.30	-57.76
CN(C(=O)C1=CC=C(F)C([O-])=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027425	1	42	-1.0	-61.06	350.39	3.30	-57.76
CN(C(=O)C1=CC=C(Cl)C=C1O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027443	0	42	-1.0	-63.23	359.15	5.26	-57.97
CN(C(=O)C1=CC=C(Cl)C=C1[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027443	1	42	-1.0	-63.23	359.15	5.26	-57.97
CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027510	0	40	-1.0	-59.89	341.45	-1.91	-61.80
CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027510	1	40	-1.0	-55.48	341.76	-1.23	-56.71
CN(C(=O)C1=CN=C(N)[N-]C1=O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027564	1	42	-1.0	-48.39	347.78	0.46	-47.93
COC1=NC(C(=O)N(C)C2CCCN(C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300032027639	0	44	-1.0	-53.92	366.20	-0.95	-54.87
CN(C(=O)C1=NC=CC(Cl)=C1[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027648	0	41	-1.0	-57.11	356.07	4.64	-52.47
CN(C(=O)C1=CC=NC=C1[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027695	0	41	-1.0	-63.67	337.58	2.93	-60.74
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027701	0	38	-1.0	-53.01	322.44	0.47	-52.54
CN(C(=O)C(=O)C1=CC=C([O-])C=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027815	1	44	-1.0	-53.16	365.62	3.55	-49.61
CN(C(=O)C1=CN=C(C=N[O-])S1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027834	0	41	-1.0	-67.02	361.06	1.21	-65.81
CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027855	1	41	-1.0	-57.04	358.04	3.96	-53.08
CN(C(=O)C1=CC(=O)NC([O-])=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027875	0	42	-1.0	-48.91	359.23	-0.85	-49.76
CN(C(=O)C1=CC(=O)N(C)[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027951	0	42	-1.0	-52.89	351.18	2.13	-50.76
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032027961	0	42	-1.0	-63.24	367.63	-0.04	-63.28
CN(C(=O)CC1=CC(=O)N[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032028088	1	42	-1.0	-70.51	351.31	0.73	-69.78
CN(C(=O)C1=CC=C([O-])C(F)=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032028093	1	42	-1.0	-63.93	350.35	3.33	-60.60
CN(C(=O)C1=CC(F)=C([O-])C(F)=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032028139	0	42	-1.0	-64.11	357.99	3.41	-60.70
CN(C(=O)C1=CC=NC(Cl)=C1[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032028144	0	41	-1.0	-61.88	353.80	3.36	-58.52
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CC1=CN=C(C(=O)N(C)C2CCCN(C(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300032028195	1	44	-1.0	-61.77	361.19	4.77	-57.00
CN(C(=O)C1=CC([O-])=CS1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032028216	0	39	-1.0	-64.44	335.46	2.13	-62.31
CN(C(=O)C1=CN([O-])C(=O)C=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032028232	0	42	-1.0	-72.82	357.94	3.99	-68.83
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300032028384	0	42	-1.0	-61.94	350.75	2.19	-59.75
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300032028391	0	42	-1.0	-63.33	367.99	0.14	-63.19
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300032028540	0	40	-1.0	-62.09	341.51	-2.00	-64.09
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300032028540	1	40	-1.0	-54.02	342.09	-1.20	-55.22
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300032028679	0	44	-1.0	-69.16	372.79	0.78	-68.38
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300032028686	0	38	-1.0	-65.56	322.90	0.52	-65.04
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300032028697	0	42	-1.0	-61.54	362.52	1.48	-60.06
CC(CCNC(=O)C1=CN=C(C2CC2)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032029256	1	43	-1.0	-49.70	380.83	-0.14	-49.84
CC(CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)NC(=O)C1=NSNC1=O	REAL300032029562	0	43	-1.0	-44.00	386.86	-1.83	-45.83
CC(CCNC(=O)CCCN1C(=O)[N-]NC1=O)NC(=O)C1=NSNC1=O	REAL300032030112	0	44	-1.0	-60.68	392.81	-2.45	-63.13
CC(C)CN1[N-]C(CC(=O)NCCC(C)NC(=O)C2=NSNC2=O)=CC1=O	REAL300032030308	0	50	-1.0	-67.55	429.69	1.63	-65.92
CC(CCNC(=O)CCC1=NNC(=O)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032030402	0	42	-1.0	-59.23	380.50	-5.18	-64.41
CC(=O)[N-]C1=NC(C(=O)NCCC(C)NC(=O)C2=NSNC2=O)=CS1	REAL300032030403	1	40	-1.0	-48.11	374.75	-1.69	-49.80
CC(CCNC(=O)CCN1C=C[N-]C(=O)C1=O)NC(=O)C1=NSNC1=O	REAL300032030617	1	43	-1.0	-64.92	386.24	-1.05	-65.97
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CC(CCNC(=O)C1=NNC(=O)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032030913	0	36	-1.0	-58.40	336.17	-5.32	-63.72
CC(CCNC(=O)CN1C(=O)[N-]NC1=O)NC(=O)C1=NSNC1=O	REAL300032031054	0	38	-1.0	-60.00	350.28	-3.65	-63.65
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CC(CCNC(=O)CN1[N-]C=C2C1=NC=NC2=O)NC(=O)C1=NSNC1=O	REAL300032031234	0	42	-1.0	-64.31	383.83	-0.77	-65.08
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CC(CCNC(=O)C(=O)[PH](C)(C)[O-])NC(=O)C1=NSNC1=O	REAL300032033063	0	40	-1.0	-51.53	358.77	-1.75	-53.28
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CC(CCNC(=O)CCC1=NC(=O)[N-]N1)NC(=O)C1=NSNC1=O	REAL300032033107	1	40	-1.0	-63.78	360.53	-3.58	-67.36
CC(CCNC(=O)C1=CC=CN([O-])C1=O)NC(=O)C1=NSNC1=O	REAL300032033117	0	38	-1.0	-59.79	344.84	0.99	-58.80
CSC1=NC=C(C(=O)NCCC(C)NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032033143	1	40	-1.0	-49.15	370.98	-1.21	-50.36
CC1=C([O-])N=C(C(=O)NCCC(C)NC(=O)C2=NSNC2=O)S1	REAL300032033171	1	37	-1.0	-56.83	351.15	-3.12	-59.95
CC(CCNC(=O)C1=CC(=O)C=C(Cl)[N-]1)NC(=O)C1=NSNC1=O	REAL300032033195	1	37	-1.0	-49.36	354.76	0.05	-49.31
CC(CCNC(=O)C1=CC(=O)N([O-])C=C1)NC(=O)C1=NSNC1=O	REAL300032033223	0	38	-1.0	-72.73	347.62	0.80	-71.93
CC(CCNC(=O)C1=CC=CC(=O)N1[O-])NC(=O)C1=NSNC1=O	REAL300032033298	0	38	-1.0	-87.42	344.69	1.83	-85.59
CC(CCNC(=O)C[N-]C(=O)C(F)(F)F)NC(=O)C1=NSNC1=O	REAL300032033517	0	37	-1.0	-52.73	354.73	-3.36	-56.09
CC(CCNC(=O)CC1=C([O-])N=C(N)S1)NC(=O)C1=NSNC1=O	REAL300032033518	0	39	-1.0	-73.33	365.94	-4.20	-77.53
CC(CCNC(=O)CC1=NC([O-])=CS1)NC(=O)C1=NSNC1=O	REAL300032033597	0	37	-1.0	-76.01	351.13	-3.33	-79.34
CCC1=NC=C(C(=O)NCCC(C)NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032033629	1	42	-1.0	-48.61	369.74	-0.73	-49.34
CC(CCNC(=O)CN1N=CC(=O)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032033643	0	39	-1.0	-66.01	360.63	-4.77	-70.78
CC(CCNC(=O)C1=C(Cl)C(=O)[N-]S1)NC(=O)C1=NSNC1=O	REAL300032033743	0	34	-1.0	-54.17	342.17	-1.94	-56.11
COCC1=NC=C(C(=O)NCCC(C)NC(=O)C2=NSNC2=O)C(=O)N1	REAL300032033883	0	43	-1.0	-49.56	382.67	-2.49	-52.05
COCC1=NC=C(C(=O)NCCC(C)NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032033883	1	43	-1.0	-49.56	382.67	-2.49	-52.05
CC(CCNC(=O)C1=CN=C(CC2CC2)NC1=O)NC(=O)C1=NSNC1=O	REAL300032033898	0	46	-1.0	-48.50	400.66	0.87	-47.63
CC(CCNC(=O)C1=CN=C(CC2CC2)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032033898	1	46	-1.0	-48.50	400.66	0.87	-47.63
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CC(CCNC(=O)C1=NSNC1=O)NC(=O)C1=NC=CC=C1[O-]	REAL300032034502	1	37	-1.0	-71.28	336.66	0.19	-71.09
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CC(CCNC(=O)C1=NSNC1=O)NC(=O)CN1C(=O)[N-]NC1=O	REAL300032034973	0	38	-1.0	-66.15	350.29	-3.66	-69.81
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CC(CCNC(=O)C1=NSNC1=O)NC(=O)C1=NC=CC(Cl)=C1[O-]	REAL300032041128	0	37	-1.0	-67.34	352.86	0.71	-66.63
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CC(CCNC(=O)C1=NSNC1=O)NC(=O)C1=CC=NC=C1[O-]	REAL300032041199	1	37	-1.0	-71.32	334.71	0.08	-71.24
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CC(CCNC(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)NC([O-])=C1	REAL300032041530	0	38	-1.0	-57.75	347.71	-4.08	-61.83
CCN1[N-]C(C(=O)NC(C)CCNC(=O)C2=NSNC2=O)=CC1=O	REAL300032041629	0	41	-1.0	-62.62	369.15	-0.60	-63.22
CC(CCNC(=O)C1=NSNC1=O)NC(=O)CNC(=O)C1=NC=CC=C1[O-]	REAL300032041641	1	44	-1.0	-71.60	395.63	-1.30	-72.90
CC(CCNC(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300032041655	0	38	-1.0	-61.85	347.42	-1.53	-63.38
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CN(CCNC(=O)C1=NSNC1=O)C(=O)CC1=NC([O-])=CS1	REAL300032058428	0	34	-1.0	-78.51	327.96	-2.97	-81.48
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CN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C(F)C=C1[O-]	REAL300032058465	0	35	-1.0	-72.07	319.02	1.84	-70.23
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CN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300032058683	0	35	-1.0	-71.37	332.96	1.59	-69.78
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CN(CCNC(=O)C1=NSNC1=O)C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300032058731	0	40	-1.0	-71.97	359.08	0.73	-71.24
CN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CC(=O)N1[O-]	REAL300032058770	0	35	-1.0	-74.73	328.47	0.79	-73.94
CN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300032058818	0	35	-1.0	-63.34	338.02	-1.30	-64.64
CN(CCNC(=O)C1=NSNC1=O)C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300032058819	0	37	-1.0	-62.11	348.07	-6.73	-68.84
CN(CCNC(=O)C1=NSNC1=O)C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300032058819	1	37	-1.0	-56.39	348.28	-6.67	-63.06
CN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300032058851	0	37	-1.0	-54.54	342.03	1.78	-52.76
CN(CCNC(=O)C1=NSNC1=O)C(=O)C1=NN(C)C(=O)[N-]1	REAL300032058900	0	34	-1.0	-63.76	316.58	-2.48	-66.24
CN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300032058947	0	37	-1.0	-59.48	342.52	-1.92	-61.40
CN(CCNC(=O)C1=NSNC1=O)C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300032060005	1	37	-1.0	-57.98	344.88	0.31	-57.67
CN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(C=N[O-])S1	REAL300032060045	0	34	-1.0	-72.58	332.14	-1.77	-74.35
CN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300032060083	1	34	-1.0	-53.11	328.29	1.00	-52.11
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CN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)NC([O-])=C1	REAL300032060124	0	35	-1.0	-55.52	329.10	-3.88	-59.40
CCN1[N-]C(C(=O)N(C)CCNC(=O)C2=NSNC2=O)=CC1=O	REAL300032060222	0	38	-1.0	-59.99	343.02	0.04	-59.95
CN(CCNC(=O)C1=NSNC1=O)C(=O)CNC(=O)C1=NC=CC=C1[O-]	REAL300032060233	1	41	-1.0	-69.35	372.47	-0.99	-70.34
CN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(C)[N-]1	REAL300032060247	0	35	-1.0	-59.31	321.88	-0.94	-60.25
CN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300032060261	1	38	-1.0	-79.55	343.66	-1.23	-80.78
CN(CCNC(=O)C1=NSNC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300032060266	0	35	-1.0	-61.03	338.16	-3.04	-64.07
CC1=C(C(=O)N(C)CCNC(=O)C2=NSNC2=O)C(=S)[N-]C(=O)N1	REAL300032060268	1	37	-1.0	-75.67	352.46	-1.62	-77.29
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CN(CCNC(=O)C1=NSNC1=O)C(=O)C1=C([O-])C=NC2=CC=CC=C21	REAL300032060344	1	40	-1.0	-68.41	361.99	0.82	-67.59
CN(CCNC(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300032060472	1	35	-1.0	-66.24	322.11	-2.25	-68.49
CN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C(F)=C1	REAL300032060479	1	35	-1.0	-61.40	320.72	0.32	-61.08
CN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300032060551	0	35	-1.0	-62.55	326.94	0.40	-62.15
CN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300032060557	0	34	-1.0	-64.10	327.59	-0.39	-64.49
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CN(CCNC(=O)C1=NSNC1=O)C(=O)CCC(=O)C1=CC=C([O-])C=C1	REAL300032060593	1	43	-1.0	-61.92	384.55	1.98	-59.94
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CN(CCNC(=O)C1=NSNC1=O)C(=O)C1=C(O)C=CC(Cl)=C1[O-]	REAL300032060656	0	36	-1.0	-61.15	348.86	-1.75	-62.90
CN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC([O-])=CS1	REAL300032060682	0	32	-1.0	-70.29	305.94	-0.92	-71.21
CN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CN([O-])C(=O)C=C1	REAL300032060709	0	35	-1.0	-71.48	328.89	1.01	-70.47
CN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300032060717	0	35	-1.0	-64.53	335.04	2.37	-62.16
CCN(CCNC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300032062197	1	43	-1.0	-55.55	373.76	1.64	-53.91
CCN(CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C(=O)C1=NSNC1=O	REAL300032062503	0	43	-1.0	-49.88	379.40	-0.01	-49.89
CCN(CCNC(=O)CCCN1C(=O)[N-]NC1=O)C(=O)C1=NSNC1=O	REAL300032063053	0	44	-1.0	-62.65	385.33	-0.64	-63.29
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CCN(CCNC(=O)CCC1=NNC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300032063343	0	42	-1.0	-61.14	373.03	-3.37	-64.51
CCN(CCNC(=O)C1=CSC([N-]C(C)=O)=N1)C(=O)C1=NSNC1=O	REAL300032063344	1	40	-1.0	-52.24	367.26	0.13	-52.11
CCN(CCNC(=O)CCN1C=C[N-]C(=O)C1=O)C(=O)C1=NSNC1=O	REAL300032063558	1	43	-1.0	-68.32	378.77	0.78	-67.54
CCN(CCNC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C(=O)C1=NSNC1=O	REAL300032063703	1	41	-1.0	-59.85	362.43	-2.18	-62.03
CCN(CCNC(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300032063854	0	36	-1.0	-60.96	328.70	-3.49	-64.45
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CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C(F)C([O-])=C1F	REAL300032073964	0	38	-1.0	-73.85	342.88	1.18	-72.67
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300032074037	0	38	-1.0	-59.00	354.17	1.70	-57.30
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300032074046	1	39	-1.0	-56.91	353.56	0.64	-56.27
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)[N-]C(OC)=N1	REAL300032074053	0	40	-1.0	-62.25	347.10	-2.88	-65.13
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300032074056	0	40	-1.0	-55.07	354.63	-0.61	-55.68
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300032074069	0	37	-1.0	-65.68	345.06	2.97	-62.71
CCN(CCNC(=O)C1=NSNC1=O)C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300032074076	1	41	-1.0	-67.95	375.04	2.65	-65.30
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300032074128	0	38	-1.0	-55.10	348.01	1.60	-53.50
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=NC=C1[O-]	REAL300032074140	0	37	-1.0	-64.90	335.56	-0.30	-65.20
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300032074150	0	34	-1.0	-61.66	309.83	-1.75	-63.41
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=NC([O-])=C(C)S1	REAL300032074201	1	37	-1.0	-60.52	344.47	-0.51	-61.03
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=C([O-])C=CC2=CC=CC=C21	REAL300032074263	1	44	-1.0	-64.33	384.10	3.69	-60.64
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300032074283	1	44	-1.0	-75.94	376.32	4.76	-71.18
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300032074292	1	44	-1.0	-80.36	377.46	4.69	-75.67
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300032074352	1	40	-1.0	-58.01	361.12	1.17	-56.84
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(C=N[O-])S1	REAL300032074392	0	37	-1.0	-73.13	349.04	-1.05	-74.18
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300032074430	1	37	-1.0	-53.26	346.84	2.30	-50.96
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(SC)[N-]C1=O	REAL300032074461	1	40	-1.0	-62.50	375.11	-0.34	-62.84
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)NC([O-])=C1	REAL300032074471	0	38	-1.0	-55.39	349.83	-2.92	-58.31
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(CC)[N-]1	REAL300032074570	0	41	-1.0	-60.37	361.71	1.11	-59.26
CCN(CCNC(=O)C1=NSNC1=O)C(=O)CNC(=O)C1=NC=CC=C1[O-]	REAL300032074582	1	44	-1.0	-69.06	392.44	-0.08	-69.14
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(C)[N-]1	REAL300032074596	0	38	-1.0	-59.65	339.98	0.17	-59.48
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300032074610	1	41	-1.0	-78.12	361.40	-0.43	-78.55
CCN(CCNC(=O)C1=NSNC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300032074615	0	38	-1.0	-60.88	354.36	-2.23	-63.11
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=C(C)NC(=O)[N-]C1=S	REAL300032074617	1	40	-1.0	-65.89	371.20	-0.96	-66.85
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=C(C)N=C(C2CC2)[N-]C1=O	REAL300032074628	1	46	-1.0	-71.15	397.54	0.93	-70.22
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=C([O-])C=NC2=CC=CC=C21	REAL300032074695	1	43	-1.0	-68.76	377.64	1.54	-67.22
CCN(CCNC(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300032074823	1	38	-1.0	-65.66	342.08	-1.34	-67.00
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C(F)=C1	REAL300032074830	1	38	-1.0	-61.07	338.17	1.15	-59.92
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300032074904	0	38	-1.0	-61.89	344.38	1.24	-60.65
CCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300032074910	0	37	-1.0	-69.56	341.93	1.21	-68.35
CCN(CCNC(=O)C1=NSNC1=O)C(=O)CC1=C(C)[N-]N(C)C1=O	REAL300032074935	0	44	-1.0	-70.23	380.86	0.95	-69.28
CCN(CCNC(=O)C1=NSNC1=O)C(=O)CCC(=O)C1=CC=C([O-])C=C1	REAL300032074947	1	46	-1.0	-61.44	404.52	2.89	-58.55
CCN(CCNC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C(=O)C1=NSNC1=O	REAL300032075993	1	39	-1.0	-47.34	353.71	0.90	-46.44
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CC(=O)[N-]C1=NC(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)=CS1	REAL300032077376	1	41	-1.0	-53.90	370.65	-0.11	-54.01
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COC1=C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)NC(=O)[N-]C1=O	REAL300032077643	1	42	-1.0	-61.07	366.69	-2.43	-63.50
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CCN1[N-]C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300032079135	0	42	-1.0	-61.72	365.07	0.98	-60.74
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C[PH](C)([O-])C(=O)C(=O)NCC1CCCN1C(=O)C1=NSNC1=O	REAL300032079458	0	41	-1.0	-59.21	354.32	-0.41	-59.62
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CSC1=NC=C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)C(=O)N1	REAL300032079527	0	41	-1.0	-58.27	366.70	0.34	-57.93
CSC1=NC=C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032079527	1	41	-1.0	-58.27	366.70	0.34	-57.93
CC1SC(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)=NC1=O	REAL300032079552	0	38	-1.0	-61.88	347.07	-1.52	-63.40
CC1=C([O-])N=C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)S1	REAL300032079552	1	38	-1.0	-61.88	347.07	-1.52	-63.40
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NC1=NC([O-])=C(CC(=O)NCC2CCCN2C(=O)C2=NSNC2=O)S1	REAL300032079826	0	40	-1.0	-81.68	361.86	-2.62	-84.30
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CCC1=NC=C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)C(=O)N1	REAL300032079911	0	43	-1.0	-57.64	365.49	0.83	-56.81
CCC1=NC=C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032079911	1	43	-1.0	-57.64	365.49	0.83	-56.81
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COCC1=NC=C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)C(=O)N1	REAL300032080107	0	44	-1.0	-58.61	378.42	-0.93	-59.54
COCC1=NC=C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032080107	1	44	-1.0	-58.61	378.42	-0.93	-59.54
CC1=CC(=O)C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)=N[N-]1	REAL300032080208	0	40	-1.0	-63.27	349.26	2.12	-61.15
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CC(=O)NC1=NC(C(=O)N2CCCC2CNC(=O)C2=NSNC2=O)=CS1	REAL300032080801	0	41	-1.0	-54.55	370.59	0.17	-54.38
CC(=O)[N-]C1=NC(C(=O)N2CCCC2CNC(=O)C2=NSNC2=O)=CS1	REAL300032080801	1	41	-1.0	-54.55	370.59	0.17	-54.38
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COC1=C(C(=O)N2CCCC2CNC(=O)C2=NSNC2=O)NC(=O)NC1=O	REAL300032080887	0	42	-1.0	-57.11	362.00	-1.91	-59.02
COC1=C(C(=O)N2CCCC2CNC(=O)C2=NSNC2=O)NC(=O)[N-]C1=O	REAL300032080887	1	42	-1.0	-57.11	362.00	-1.91	-59.02
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NC1=CC(=O)[N-]C(C(=O)N2CCCC2CNC(=O)C2=NSNC2=O)=N1	REAL300032084215	0	39	-1.0	-69.46	344.58	-1.98	-71.44
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CC1=CC=NC(C(=O)N2CCCC2CNC(=O)C2=NSNC2=O)=C1[O-]	REAL300032084384	1	41	-1.0	-73.54	352.76	2.68	-70.86
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NC1=CC(C(=O)N2CCCC2CNC(=O)C2=NSNC2=O)=CC([O-])=C1Cl	REAL300032084724	1	41	-1.0	-55.77	361.48	0.34	-55.43
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O=C(CC1=NC([O-])=CS1)N1CCCC1CNC(=O)C1=NSNC1=O	REAL300032084806	0	38	-1.0	-82.81	350.28	-1.98	-84.79
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CC1=CC=C(F)C([O-])=C1C(=O)N1CCCC1CNC(=O)C1=NSNC1=O	REAL300032084881	0	42	-1.0	-77.98	370.40	2.12	-75.86
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O=C(NCC1CCCN1C(=O)C1=CN=C(C=N[O-])S1)C1=NSNC1=O	REAL300032086109	0	38	-1.0	-67.30	349.77	0.10	-67.20
O=C(NCC1CCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=NSNC1=O	REAL300032086144	1	38	-1.0	-56.08	350.42	1.88	-54.20
CSC1=NC=C(C(=O)N2CCCC2CNC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032086170	1	41	-1.0	-57.19	365.88	0.51	-56.68
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CCN1[N-]C(C(=O)N2CCCC2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300032086260	0	42	-1.0	-63.45	365.06	0.99	-62.46
CN1[N-]C(C(=O)N2CCCC2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300032086282	0	39	-1.0	-62.48	343.26	0.05	-62.43
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CC1=CN=C(C(=O)N2CCCC2CNC(=O)C2=NSNC2=O)C([O-])=C1	REAL300032086620	1	41	-1.0	-75.45	353.88	2.62	-72.83
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CN1[N-]C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300032086911	0	39	-1.0	-60.93	343.34	0.05	-60.88
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O=C(NCC1CCN(C(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300032092080	1	38	-1.0	-65.21	336.20	1.86	-63.35
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC(CNC(=O)C2=NSNC2=O)C1	REAL300032092200	1	44	-1.0	-63.08	389.44	0.25	-62.83
CC(=O)[N-]C1=NC(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C2)=CS1	REAL300032092212	1	41	-1.0	-48.99	374.60	-0.07	-49.06
O=C(NCC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300032092244	0	37	-1.0	-58.03	335.81	-3.90	-61.93
COC1=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300032092298	1	42	-1.0	-57.98	367.91	-2.69	-60.67
O=C(CN1C(=O)[N-]NC1=O)N1CCC(CNC(=O)C2=NSNC2=O)C1	REAL300032092467	0	39	-1.0	-61.72	353.69	-2.47	-64.19
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC(CNC(=O)C2=NSNC2=O)C1	REAL300032093457	0	45	-1.0	-60.76	396.19	-1.24	-62.00
O=C(NCC1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300032093664	1	44	-1.0	-60.75	390.11	0.72	-60.03
O=C(NCC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300032097021	0	37	-1.0	-49.27	338.11	-3.63	-52.90
O=C(NCC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300032097021	1	37	-1.0	-49.27	338.11	-3.63	-52.90
O=C(NCC1CCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1)C1=NSNC1=O	REAL300032097055	0	41	-1.0	-68.89	360.93	0.03	-68.86
O=C(NCC1CCN(C(=O)C2=C(O)C3=CC=CC=C3C=N2)C1)C1=NSNC1=O	REAL300032097096	0	44	-1.0	-69.34	381.39	4.19	-65.15
O=C(NCC1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1)C1=NSNC1=O	REAL300032097096	1	44	-1.0	-69.34	381.39	4.19	-65.15
O=C(NCC1CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=NSNC1=O	REAL300032097097	0	35	-1.0	-54.93	339.74	-0.97	-55.90
NC1=NC=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032097120	0	39	-1.0	-61.79	352.67	-1.54	-63.33
NC1=NC=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032097120	1	39	-1.0	-61.79	352.67	-1.54	-63.33
CC1=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C2)[N-]C(=O)C(C#N)=C1	REAL300032097151	0	42	-1.0	-48.64	373.96	1.39	-47.25
O=C(NCC1CCN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C1)C1=NSNC1=O	REAL300032097231	0	40	-1.0	-53.99	369.13	0.90	-53.09
O=C(NCC1CCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=NSNC1=O	REAL300032097231	1	40	-1.0	-53.99	369.13	0.90	-53.09
O=C(NCC1CCN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1)C1=NSNC1=O	REAL300032097239	0	41	-1.0	-57.25	368.83	-0.14	-57.39
O=C(NCC1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300032097252	0	38	-1.0	-61.76	352.58	2.33	-59.43
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O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NSNC1=O	REAL300032097320	0	35	-1.0	-56.95	319.78	-1.68	-58.63
CC1SC(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C2)=NC1=O	REAL300032097355	0	38	-1.0	-58.21	351.61	-1.28	-59.49
CC1=C([O-])N=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C2)S1	REAL300032097355	1	38	-1.0	-58.21	351.61	-1.28	-59.49
O=C(NCC1CCN(C(=O)C2=C(O)C=CC3=CC=CC=C32)C1)C1=NSNC1=O	REAL300032097405	0	45	-1.0	-65.37	393.64	3.59	-61.78
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O=C(NCC1CCN(C(=O)C2=C(O)C3=CC=CC=C3C=C2)C1)C1=NSNC1=O	REAL300032097425	0	45	-1.0	-67.69	387.12	4.43	-63.26
O=C(NCC1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1)C1=NSNC1=O	REAL300032097425	1	45	-1.0	-67.69	387.12	4.43	-63.26
O=C(NCC1CCN(C(=O)C2=CC3=CC=CC=C3C=C2O)C1)C1=NSNC1=O	REAL300032097433	0	45	-1.0	-71.01	388.44	4.30	-66.71
O=C(NCC1CCN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1)C1=NSNC1=O	REAL300032097433	1	45	-1.0	-71.01	388.44	4.30	-66.71
O=C(NCC1CCN(C(=O)C(=O)C2=CC=C(O)C=C2)C1)C1=NSNC1=O	REAL300032097483	0	41	-1.0	-55.75	362.24	1.31	-54.44
O=C(NCC1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=NSNC1=O	REAL300032097483	1	41	-1.0	-55.75	362.24	1.31	-54.44
O=C(NCC1CCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=NSNC1=O	REAL300032097520	0	38	-1.0	-67.59	357.58	-0.77	-68.36
O=C(NCC1CCN(C(=O)C2=CC(=O)C=C(Cl)N2)C1)C1=NSNC1=O	REAL300032097555	0	38	-1.0	-49.92	354.36	1.63	-48.29
O=C(NCC1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=NSNC1=O	REAL300032097555	1	38	-1.0	-49.92	354.36	1.63	-48.29
CSC1=NC=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032097581	0	41	-1.0	-62.32	380.61	-0.36	-62.68
CSC1=NC=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032097581	1	41	-1.0	-62.32	380.61	-0.36	-62.68
O=C(NCC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=NSNC1=O	REAL300032097589	0	39	-1.0	-51.37	355.17	-2.96	-54.33
CCN1[N-]C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032097671	0	42	-1.0	-56.58	369.24	0.77	-55.81
CN1[N-]C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032097693	0	39	-1.0	-55.75	347.43	-0.17	-55.92
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CC1=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C2)C(=S)NC(=O)N1	REAL300032097712	0	41	-1.0	-69.30	375.96	-0.75	-70.05
CC1=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300032097712	1	41	-1.0	-69.30	375.96	-0.75	-70.05
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O=C(CC1=CC(=O)NN1)N1CCC(CNC(=O)C2=NSNC2=O)C1	REAL300032097888	0	39	-1.0	-64.43	348.69	-1.39	-65.82
O=C(CC1=CC(=O)N[N-]1)N1CCC(CNC(=O)C2=NSNC2=O)C1	REAL300032097888	1	39	-1.0	-64.43	348.69	-1.39	-65.82
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CCCN(CCNC(=O)C1=CSC([N-]C(C)=O)=N1)C(=O)C1=NSNC1=O	REAL300032100148	1	43	-1.0	-42.82	388.74	0.85	-41.97
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CCCN(CCNC(=O)CN1C(=O)[N-]NC1=O)C(=O)C1=NSNC1=O	REAL300032100612	0	41	-1.0	-54.93	364.27	-1.12	-56.05
CCCN(CCNC(=O)C1=C[N-]N=CC1=O)C(=O)C1=NSNC1=O	REAL300032101997	0	39	-1.0	-37.67	342.60	1.42	-36.25
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CCCN(CCNC(=O)CC1=CC(=O)N(C)[N-]1)C(=O)C1=NSNC1=O	REAL300032102141	0	44	-1.0	-62.08	382.12	1.65	-60.43
CCCN(CCNC(=O)CCC1=NC(=O)[N-]N1)C(=O)C1=NSNC1=O	REAL300032102178	1	43	-1.0	-60.87	374.30	-1.07	-61.94
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CCCN(CCNC(=O)C1=CC(=O)C=C(Cl)[N-]1)C(=O)C1=NSNC1=O	REAL300032102246	1	40	-1.0	-44.40	368.77	2.59	-41.81
CCCN(CCNC(=O)C1=CC(=O)N([O-])C=C1)C(=O)C1=NSNC1=O	REAL300032102268	0	41	-1.0	-69.63	361.61	3.35	-66.28
CCCN(CCNC(=O)C1=CC=CC(=O)N1[O-])C(=O)C1=NSNC1=O	REAL300032102326	0	41	-1.0	-82.46	358.46	4.33	-78.13
CCCN(CCNC(=O)C[N-]C(=O)C(F)(F)F)C(=O)C1=NSNC1=O	REAL300032102492	0	40	-1.0	-47.80	368.72	-0.82	-48.62
CCCN(CCNC(=O)CC1=C([O-])N=C(N)S1)C(=O)C1=NSNC1=O	REAL300032102493	0	42	-1.0	-64.16	379.95	-1.66	-65.82
CCCN(CCNC(=O)CC1=NC([O-])=CS1)C(=O)C1=NSNC1=O	REAL300032102551	0	40	-1.0	-70.82	365.15	-0.79	-71.61
CCCN(CCNC(=O)C1=CN=C(CC)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300032102576	1	45	-1.0	-41.33	383.61	1.80	-39.53
CCCN(CCNC(=O)CN1N=CC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300032102588	0	42	-1.0	-59.54	374.65	-2.23	-61.77
CCCN(CCNC(=O)C1=C(Cl)C(=O)[N-]S1)C(=O)C1=NSNC1=O	REAL300032102663	0	37	-1.0	-49.92	356.18	0.59	-49.33
CCCN(CCNC(=O)C1=CN=C(COC)NC1=O)C(=O)C1=NSNC1=O	REAL300032102767	0	46	-1.0	-42.59	396.53	0.04	-42.55
CCCN(CCNC(=O)C1=CN=C(COC)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300032102767	1	46	-1.0	-42.59	396.53	0.04	-42.55
CCCN(CCNC(=O)C1=N[N-]C(C)=CC1=O)C(=O)C1=NSNC1=O	REAL300032102866	0	42	-1.0	-49.39	367.34	3.09	-46.30
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CCCN(CCNC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C(=O)C1=NSNC1=O	REAL300032102909	0	42	-1.0	-49.72	375.81	2.30	-47.42
CCCN(CCNC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C(=O)C1=NSNC1=O	REAL300032102909	1	42	-1.0	-49.72	375.81	2.30	-47.42
CCCN(CCNC(=O)C1=CN=C(C=N[O-])S1)C(=O)C1=NSNC1=O	REAL300032103043	0	40	-1.0	-64.33	373.75	0.85	-63.48
CCCN(CCNC(=O)C1=CC(=O)[N-]C(OC)=N1)C(=O)C1=NSNC1=O	REAL300032103063	0	43	-1.0	-53.18	379.34	-2.70	-55.88
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=NC=CC=C1[O-]	REAL300032103324	1	40	-1.0	-69.25	350.65	3.09	-66.16
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300032103438	1	46	-1.0	-63.17	400.51	0.86	-62.31
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CSC([N-]C(C)=O)=N1	REAL300032103450	1	43	-1.0	-51.38	389.06	1.22	-50.16
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=NNC(=O)[N-]C1=O	REAL300032103478	0	39	-1.0	-63.30	349.78	-2.90	-66.20
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=C(OC)C(=O)[N-]C(=O)N1	REAL300032103529	1	44	-1.0	-60.71	395.19	-3.35	-64.06
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)CN1C(=O)[N-]NC1=O	REAL300032103693	0	41	-1.0	-63.51	368.60	-1.66	-65.17
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)CCCN1C(=O)[N-]NC1=O	REAL300032104635	0	47	-1.0	-61.06	411.11	-0.42	-61.48
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300032104828	1	46	-1.0	-63.21	406.42	1.46	-61.75
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300032105636	0	45	-1.0	-60.45	394.77	-3.29	-63.74
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300032105646	0	43	-1.0	-57.20	379.77	3.53	-53.67
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300032105660	1	41	-1.0	-62.16	369.10	3.58	-58.58
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300032105691	1	42	-1.0	-50.44	374.69	2.09	-48.35
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C(N)C(Cl)=C1[O-]	REAL300032105715	0	43	-1.0	-67.12	390.46	0.85	-66.27
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300032105774	0	43	-1.0	-70.13	387.93	4.12	-66.01
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(CC)[N-]C1=O	REAL300032105805	1	45	-1.0	-62.03	395.33	0.88	-61.15
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=COC(=O)[N-]1	REAL300032105828	1	37	-1.0	-55.00	333.72	-0.19	-55.19
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CC([O-])=C1[N+](=O)[O-]	REAL300032105901	0	43	-1.0	-78.33	391.59	2.96	-75.37
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C[N-]C(=O)C(F)(F)F	REAL300032105919	0	40	-1.0	-56.56	369.00	-1.51	-58.07
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)CC1=C([O-])N=C(N)S1	REAL300032105920	0	42	-1.0	-71.73	380.21	-2.31	-74.04
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=C(F)C=C([O-])C=C1F	REAL300032105931	0	41	-1.0	-55.76	369.35	2.01	-53.75
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C=C1F	REAL300032105952	1	41	-1.0	-55.85	359.06	1.78	-54.07
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300032107978	0	43	-1.0	-50.21	382.02	2.37	-47.84
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300032108053	0	39	-1.0	-52.50	350.09	-2.11	-54.61
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300032108053	1	39	-1.0	-52.50	350.09	-2.11	-54.61
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300032108087	0	43	-1.0	-64.83	376.04	0.75	-64.08
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300032108128	0	37	-1.0	-59.94	352.88	-0.50	-60.44
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(N)NC1=O	REAL300032108150	0	41	-1.0	-62.44	368.67	-0.77	-63.21
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(N)[N-]C1=O	REAL300032108150	1	41	-1.0	-62.44	368.67	-0.77	-63.21
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=C(C)C=C(C#N)C(=O)[N-]1	REAL300032108181	0	44	-1.0	-56.96	397.74	1.29	-55.67
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300032108261	0	42	-1.0	-52.90	375.22	1.32	-51.58
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300032108261	1	42	-1.0	-52.90	375.22	1.32	-51.58
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300032108269	0	43	-1.0	-48.52	375.32	0.13	-48.39
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300032108282	0	40	-1.0	-65.64	364.58	3.51	-62.13
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)CC1=CC=C(O)C(Cl)=C1	REAL300032108288	0	44	-1.0	-67.36	400.57	3.54	-63.82
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300032108288	1	44	-1.0	-67.36	400.57	3.54	-63.82
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300032108350	0	37	-1.0	-62.14	331.89	-1.03	-63.17
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=NC(=O)C(C)S1	REAL300032108383	0	40	-1.0	-58.69	365.84	0.25	-58.44
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=NC([O-])=C(C)S1	REAL300032108383	1	40	-1.0	-58.69	365.84	0.25	-58.44
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C(=O)C1=CC=C(O)C=C1	REAL300032108500	0	43	-1.0	-57.91	382.62	1.94	-55.97
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300032108500	1	43	-1.0	-57.91	382.62	1.94	-55.97
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(C=N[O-])S1	REAL300032108534	0	40	-1.0	-70.41	370.16	-0.36	-70.77
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)C=C(Cl)N1	REAL300032108565	0	40	-1.0	-52.62	368.31	3.00	-49.62
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300032108565	1	40	-1.0	-52.62	368.31	3.00	-49.62
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(SC)NC1=O	REAL300032108590	0	43	-1.0	-62.82	396.61	0.41	-62.41
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CN=C(SC)[N-]C1=O	REAL300032108590	1	43	-1.0	-62.82	396.61	0.41	-62.41
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)NC([O-])=C1	REAL300032108597	0	41	-1.0	-55.51	371.33	-2.17	-57.68
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(CC)[N-]1	REAL300032108672	0	44	-1.0	-60.23	383.15	1.84	-58.39
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(C)[N-]1	REAL300032108694	0	41	-1.0	-59.95	361.95	0.84	-59.11
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300032108710	0	41	-1.0	-60.61	375.86	-1.48	-62.09
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=C(C)NC(=O)NC1=S	REAL300032108712	0	43	-1.0	-66.31	390.04	-0.34	-66.65
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=C(C)NC(=O)[N-]C1=S	REAL300032108712	1	43	-1.0	-66.31	390.04	-0.34	-66.65
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)NN1	REAL300032108882	0	41	-1.0	-65.19	363.58	-0.58	-65.77
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300032108882	1	41	-1.0	-65.19	363.58	-0.58	-65.77
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C(O)C(F)=C1	REAL300032108888	0	41	-1.0	-57.12	360.03	1.81	-55.31
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C(F)=C1	REAL300032108888	1	41	-1.0	-57.12	360.03	1.81	-55.31
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300032108947	0	41	-1.0	-57.30	366.24	1.88	-55.42
CCCN(CCNC(=O)C1=NSNC1=O)C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300032108953	0	40	-1.0	-62.27	363.58	1.73	-60.54
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CC(=O)[N-]C1=NC(C(=O)NCCN(C(=O)C2=NSNC2=O)C2CC2)=CS1	REAL300032111157	1	41	-1.0	-42.61	370.70	0.53	-42.08
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COC1=C(C(=O)NCCN(C(=O)C2=NSNC2=O)C2CC2)NC(=O)[N-]C1=O	REAL300032111424	1	42	-1.0	-53.57	365.93	-1.80	-55.37
O=C(NCCN(C(=O)C1=NSNC1=O)C1CC1)C1=NNC(=O)[N-]C1=O	REAL300032111538	0	37	-1.0	-55.20	332.62	-3.16	-58.36
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CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300032144849	0	45	-1.0	-61.95	391.85	-2.25	-64.20
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CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=C[N-]N=CC1=O	REAL300032144920	0	42	-1.0	-44.27	353.32	1.04	-43.23
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CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CC([O-])=C1F	REAL300032145001	1	44	-1.0	-73.01	369.70	2.16	-70.85
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CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N([O-])C=C1	REAL300032145156	0	44	-1.0	-73.96	370.37	2.56	-71.40
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=NC(=O)N[N-]1	REAL300032145179	0	40	-1.0	-51.57	348.42	-1.25	-52.82
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CN([O-])C1=O	REAL300032145183	0	44	-1.0	-65.03	381.10	2.76	-62.27
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(F)=CC=C1O	REAL300032145316	0	44	-1.0	-65.02	369.58	3.56	-61.46
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC(F)=CC=C1[O-]	REAL300032145316	1	44	-1.0	-65.02	369.58	3.56	-61.46
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CC1=CC=NC(C(=O)N(CCCNC(=O)C2=NSNC2=O)C(C)C)=C1[O-]	REAL300032145373	1	46	-1.0	-62.25	384.49	4.33	-57.92
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CN=CC(O)=C1	REAL300032145462	0	43	-1.0	-62.25	358.99	0.20	-62.05
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CN=CC([O-])=C1	REAL300032145462	1	43	-1.0	-62.25	358.99	0.20	-62.05
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CC(=S)N1[O-]	REAL300032145471	0	44	-1.0	-93.09	379.55	4.54	-88.55
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300032145562	0	43	-1.0	-51.27	378.80	2.48	-48.79
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C(O)C=C1Cl	REAL300032145596	0	44	-1.0	-59.20	377.84	2.53	-56.67
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C=C1Cl	REAL300032145596	1	44	-1.0	-59.20	377.84	2.53	-56.67
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)CC1=NC([O-])=CS1	REAL300032145603	0	43	-1.0	-71.07	382.35	-0.75	-71.82
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300032145616	0	46	-1.0	-59.65	397.62	-0.16	-59.81
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CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=CC(=O)N1[O-]	REAL300032145755	0	44	-1.0	-89.84	368.45	3.53	-86.31
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300032145773	0	44	-1.0	-45.13	378.80	0.58	-44.55
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=NN(C)C(=O)[N-]1	REAL300032145810	0	43	-1.0	-59.87	371.13	-0.42	-60.29
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CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300032145927	0	44	-1.0	-54.96	379.56	0.38	-54.58
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C(F)C([O-])=C1	REAL300032145970	1	44	-1.0	-57.54	371.10	2.08	-55.46
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CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)NN1	REAL300032146509	0	44	-1.0	-61.40	376.50	-0.05	-61.45
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300032146509	1	44	-1.0	-61.40	376.50	-0.05	-61.45
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C(O)C(F)=C1	REAL300032146514	0	44	-1.0	-60.52	371.13	2.10	-58.42
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C(F)=C1	REAL300032146514	1	44	-1.0	-60.52	371.13	2.10	-58.42
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300032146550	0	43	-1.0	-67.51	374.08	2.11	-65.40
CC1=CN=C(C(=O)N(CCCNC(=O)C2=NSNC2=O)C(C)C)C(O)=C1	REAL300032146598	0	46	-1.0	-64.10	385.41	4.27	-59.83
CC1=CN=C(C(=O)N(CCCNC(=O)C2=NSNC2=O)C(C)C)C([O-])=C1	REAL300032146598	1	46	-1.0	-64.10	385.41	4.27	-59.83
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CC([O-])=CS1	REAL300032146616	0	41	-1.0	-68.28	356.03	1.07	-67.21
CC(C)N(CCCNC(=O)C1=NSNC1=O)C(=O)C1=CN([O-])C(=O)C=C1	REAL300032146629	0	44	-1.0	-73.56	370.25	2.55	-71.01
CC(C)N(CCCNC(=O)C1=CC(=O)N(C)[N-]1)C(=O)C1=NSNC1=O	REAL300032146769	0	44	-1.0	-50.83	373.21	1.39	-49.44
CC(C)N(CCCNC(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)C1=NSNC1=O	REAL300032146920	0	42	-1.0	-53.66	363.52	-3.37	-57.03
CC(C)N(CCCNC(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300032146920	1	42	-1.0	-45.78	364.16	-2.62	-48.40
CC(C)N(CCCNC(=O)CN1[N-]C(=O)C=CC1=O)C(=O)C1=NSNC1=O	REAL300032147056	0	46	-1.0	-62.26	392.85	0.03	-62.23
CC(C)N(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)C1=NSNC1=O	REAL300032147063	0	40	-1.0	-59.01	345.80	-0.07	-59.08
CC(C)N(CCCNC(=O)C1=CN([O-])C(=O)NC1=O)C(=O)C1=NSNC1=O	REAL300032147074	0	44	-1.0	-56.24	376.64	1.18	-55.06
CCCN(C(=O)C1=NNC(=O)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032147899	0	43	-1.0	-63.24	362.45	-0.72	-63.96
CCCN(C(=O)CN1C(=O)[N-]NC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032147941	0	45	-1.0	-62.79	381.15	0.60	-62.19
CCCN(C(=O)C1=CN([O-])C(=O)C=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032148224	0	45	-1.0	-73.10	368.18	4.13	-68.97
CCCN(C(=O)C1=CC(=O)NC([O-])=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032148288	0	45	-1.0	-57.35	372.45	-0.55	-57.90
CCCN(C(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032148299	1	41	-1.0	-54.87	346.62	1.91	-52.96
CCCN(C(=O)C1=CC(=O)N(CC)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032148392	0	48	-1.0	-60.39	396.04	4.08	-56.31
CCCN(C(=O)CC1=CC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032148398	1	45	-1.0	-69.25	375.79	1.72	-67.53
CCCN(C(=O)C1=NN(C)C(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032148414	0	44	-1.0	-64.38	368.73	1.58	-62.80
CCCN(C(=O)C1=C[N-]N=CC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032148458	0	43	-1.0	-53.71	358.38	2.61	-51.10
CCCN(C(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032148509	0	42	-1.0	-57.01	351.53	1.43	-55.58
CCCN(C(=O)C(=O)[PH](C)(C)[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032148513	0	47	-1.0	-57.87	385.87	2.94	-54.93
CCCN(C(=O)CCC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032148530	0	47	-1.0	-60.02	391.49	1.24	-58.78
CCCN(C(=O)C1=CC=CN([O-])C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032148532	0	45	-1.0	-87.21	383.22	4.95	-82.26
CCCN(C(=O)C1=NC(=O)C(C)S1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032148550	0	44	-1.0	-60.37	378.66	2.51	-57.86
CCCN(C(=O)C1=NC([O-])=C(C)S1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032148550	1	44	-1.0	-60.37	378.66	2.51	-57.86
CCCN(C(=O)C1=CC(=O)N([O-])C=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032148561	0	45	-1.0	-72.69	368.10	4.12	-68.57
CCCN(C(=O)C1=CC=CC(=O)N1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032148580	0	45	-1.0	-72.75	382.72	4.72	-68.03
CCCN(C(=O)CC1=NC([O-])=CS1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032148664	0	44	-1.0	-77.83	381.71	1.01	-76.82
CCCN(C(=O)C1=N[N-]C(C)=CC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032148783	0	46	-1.0	-60.05	379.59	5.16	-54.89
CCCN(C(=O)C1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032148791	0	41	-1.0	-61.27	346.24	-0.09	-61.36
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300032149107	1	44	-1.0	-78.32	362.66	5.17	-73.15
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300032149196	0	43	-1.0	-67.29	362.24	-0.62	-67.91
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300032149283	0	45	-1.0	-64.93	380.49	0.78	-64.15
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300032150985	0	43	-1.0	-53.13	364.54	-0.32	-53.45
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300032150985	1	43	-1.0	-53.13	364.54	-0.32	-53.45
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=C(N)NC2=O)C1	REAL300032151020	0	45	-1.0	-71.64	378.99	1.68	-69.96
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300032151020	1	45	-1.0	-71.64	378.99	1.68	-69.96
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300032151101	0	41	-1.0	-60.56	346.65	1.54	-59.02
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)C(C)S2)C1	REAL300032151116	0	44	-1.0	-62.87	378.49	1.92	-60.95
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC([O-])=C(C)S2)C1	REAL300032151116	1	44	-1.0	-62.87	378.49	1.92	-60.95
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300032151208	0	45	-1.0	-60.55	382.16	0.21	-60.34
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N(CC)[N-]2)C1	REAL300032151246	0	48	-1.0	-61.81	396.10	3.98	-57.83
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300032151262	0	45	-1.0	-60.92	374.29	3.04	-57.88
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=CC(=O)NN2)C1	REAL300032151340	0	45	-1.0	-66.17	375.49	1.85	-64.32
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300032151340	1	45	-1.0	-66.17	375.49	1.85	-64.32
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(O)C(F)=C2)C1	REAL300032151344	0	45	-1.0	-63.49	372.08	4.30	-59.19
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300032151344	1	45	-1.0	-63.49	372.08	4.30	-59.19
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC=C(C)C=C2O)C1	REAL300032151400	0	47	-1.0	-79.91	384.11	5.81	-74.10
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC=C(C)C=C2[O-])C1	REAL300032151400	1	47	-1.0	-79.91	384.11	5.81	-74.10
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC([O-])=CS2)C1	REAL300032151412	0	42	-1.0	-72.12	358.09	3.32	-68.80
CCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300032151423	0	45	-1.0	-74.37	371.48	4.77	-69.60
CCCN(C(=O)C1=CC(=O)N(C)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032151506	0	45	-1.0	-59.67	374.35	3.14	-56.53
CCCN(C(=O)C1=NC(=O)[N-]C(=O)N1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032151574	0	43	-1.0	-58.18	364.32	-0.47	-58.65
CCCN(C(=O)C1=NC(=O)NC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032151574	1	43	-1.0	-56.40	364.59	0.33	-56.07
CCCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032151663	0	41	-1.0	-62.15	346.72	1.38	-60.77
O=C(NCCC1CCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300032152840	0	40	-1.0	-64.13	356.68	-3.17	-67.30
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O=C(NCCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)C=C1	REAL300032153515	0	42	-1.0	-77.65	367.76	2.94	-74.71
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CCN1[N-]C(C(=O)NCCC2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032153810	0	45	-1.0	-61.64	389.66	1.52	-60.12
O=C(CC1=CC(=O)N[N-]1)NCCC1CCN(C(=O)C2=NSNC2=O)C1	REAL300032153818	1	42	-1.0	-69.61	365.80	-0.49	-70.10
O=C(NCCC1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=S)N1[O-]	REAL300032153836	0	42	-1.0	-98.37	376.31	5.00	-93.37
O=C(CC1SC(=O)[N-]C1=O)NCCC1CCN(C(=O)C2=NSNC2=O)C1	REAL300032153845	0	42	-1.0	-59.71	378.90	-1.98	-61.69
CN1N=C(C(=O)NCCC2CCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300032153861	0	41	-1.0	-64.85	362.37	-0.91	-65.76
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CC1=C(CC(=O)NCCC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300032153993	0	48	-1.0	-71.51	408.61	1.92	-69.59
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C[PH](C)([O-])C(=O)C(=O)NCCC1CCN(C(=O)C2=NSNC2=O)C1	REAL300032154054	0	44	-1.0	-57.20	377.84	0.17	-57.03
CN1[N-]C(CC(=O)NCCC2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032154057	0	45	-1.0	-71.80	388.63	1.23	-70.57
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N#CC1=CC([O-])=CC(C(=O)N2CCC(CCNC(=O)C3=NSNC3=O)C2)=C1	REAL300032156596	1	43	-1.0	-64.17	380.30	2.06	-62.11
CCC1=NC=C(C(=O)N2CCC(CCNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032156679	1	46	-1.0	-68.66	400.19	0.83	-67.83
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CN(CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)C1)C(=O)C1=NSNC1=O	REAL300032164233	0	41	-1.0	-70.24	352.77	0.51	-69.73
CN(CC1CCN(C(=O)C2=C[N-]N=CC2=O)C1)C(=O)C1=NSNC1=O	REAL300032164322	0	40	-1.0	-52.34	351.41	2.08	-50.26
CN(CC1CCN(C(=O)C2=CC(=O)N[N-]2)C1)C(=O)C1=NSNC1=O	REAL300032164421	0	39	-1.0	-62.62	335.13	0.36	-62.26
CN(CC1CCN(C(=O)C(=O)[PH](C)(C)[O-])C1)C(=O)C1=NSNC1=O	REAL300032164426	0	44	-1.0	-55.74	370.79	1.68	-54.06
CN(CC1CCN(C(=O)C2=CC=CN([O-])C2=O)C1)C(=O)C1=NSNC1=O	REAL300032164457	0	42	-1.0	-82.95	366.05	4.11	-78.84
CC1SC(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300032164485	0	41	-1.0	-61.88	363.72	0.94	-60.94
CC1=C([O-])N=C(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)C2)S1	REAL300032164485	1	41	-1.0	-61.88	363.72	0.94	-60.94
CN(CC1CCN(C(=O)C2=CC(=O)C=C(Cl)N2)C1)C(=O)C1=NSNC1=O	REAL300032164499	0	41	-1.0	-52.32	366.86	3.97	-48.35
CN(CC1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C(=O)C1=NSNC1=O	REAL300032164499	1	41	-1.0	-52.32	366.86	3.97	-48.35
CN(CC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C(=O)C1=NSNC1=O	REAL300032164516	0	42	-1.0	-73.00	366.46	4.14	-68.86
CN(CC1CCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C(=O)C1=NSNC1=O	REAL300032164549	0	42	-1.0	-82.85	365.96	3.93	-78.92
CN(CC1CCN(C(=O)CC2=C([O-])N=C(N)S2)C1)C(=O)C1=NSNC1=O	REAL300032164672	0	43	-1.0	-72.84	379.67	-0.69	-73.53
CN(CC1CCN(C(=O)CC2=NC([O-])=CS2)C1)C(=O)C1=NSNC1=O	REAL300032164717	0	41	-1.0	-72.13	364.18	0.20	-71.93
CCC1=NC=C(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032164735	0	46	-1.0	-69.08	390.83	2.33	-66.75
CCC1=NC=C(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032164735	1	46	-1.0	-69.08	390.83	2.33	-66.75
CC1=CC(=O)C(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032164946	0	43	-1.0	-58.99	366.55	4.25	-54.74
CN(CC1CCN(C(=O)C2=NC(=O)N[N-]2)C1)C(=O)C1=NSNC1=O	REAL300032164961	0	38	-1.0	-61.02	330.11	-0.51	-61.53
CN(CC1CCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C(=O)C1=NSNC1=O	REAL300032165072	0	41	-1.0	-73.77	368.00	1.50	-72.27
COC1=NC(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300032165085	0	44	-1.0	-68.10	374.10	-1.16	-69.26
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NC=CC=C1[O-]	REAL300032165341	1	41	-1.0	-68.80	348.13	4.11	-64.69
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300032165464	0	40	-1.0	-73.73	346.19	-1.75	-75.48
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)CN1C(=O)[N-]NC1=O	REAL300032165624	0	42	-1.0	-77.84	364.09	-0.30	-78.14
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300032166943	1	42	-1.0	-67.63	366.47	5.24	-62.39
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300032166968	1	43	-1.0	-59.77	376.57	3.71	-56.06
CCC1=NC=C(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032167051	1	46	-1.0	-62.05	392.47	2.25	-59.80
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=COC(=O)[N-]1	REAL300032167069	1	38	-1.0	-59.09	332.51	0.53	-58.56
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C[N-]C(=O)C(F)(F)F	REAL300032167136	0	41	-1.0	-56.49	369.27	-0.09	-56.58
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)CC1=C([O-])N=C(N)S1	REAL300032167137	0	43	-1.0	-72.74	379.79	-0.84	-73.58
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=C(F)C=C([O-])C=C1F	REAL300032167146	0	42	-1.0	-64.50	371.61	3.62	-60.88
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C([O-])C=C1F	REAL300032167161	1	42	-1.0	-60.57	362.12	3.39	-57.18
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC([O-])=CC(=O)O1	REAL300032167167	0	41	-1.0	-60.41	357.81	2.78	-57.63
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300032167174	1	43	-1.0	-66.94	372.61	3.68	-63.26
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300032167177	0	41	-1.0	-64.29	365.87	2.58	-61.71
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300032167193	0	43	-1.0	-68.36	374.48	-1.46	-69.82
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=C[N-]N=CC1=O	REAL300032167271	0	40	-1.0	-57.85	344.10	1.88	-55.97
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=CC(F)=C1[O-]	REAL300032167280	0	42	-1.0	-76.34	355.95	4.80	-71.54
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=CC([O-])=C1F	REAL300032167366	1	42	-1.0	-74.81	356.27	3.28	-71.53
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(=O)N[N-]1	REAL300032167464	0	39	-1.0	-58.63	337.39	0.46	-58.17
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300032167470	0	44	-1.0	-57.75	370.71	1.54	-56.21
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300032167557	0	42	-1.0	-80.64	365.52	4.09	-76.55
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NNC(=O)[N-]1	REAL300032167581	0	38	-1.0	-71.59	329.18	-1.03	-72.62
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=C(O)C=CC=C1Cl	REAL300032167584	0	42	-1.0	-68.97	372.06	3.91	-65.06
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=C([O-])C=CC=C1Cl	REAL300032167584	1	42	-1.0	-68.97	372.06	3.91	-65.06
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=CN([O-])C1=O	REAL300032167588	0	42	-1.0	-98.45	365.26	4.04	-94.41
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=C(F)C=CC(O)=C1F	REAL300032167617	0	42	-1.0	-66.03	372.07	3.51	-62.52
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=C(F)C=CC([O-])=C1F	REAL300032167617	1	42	-1.0	-66.03	372.07	3.51	-62.52
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(F)=CC=C1O	REAL300032167752	0	42	-1.0	-67.04	356.15	4.78	-62.26
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(F)=CC=C1[O-]	REAL300032167752	1	42	-1.0	-67.04	356.15	4.78	-62.26
CC1=CC=NC(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)C2)=C1O	REAL300032167815	0	44	-1.0	-68.67	369.79	4.90	-63.77
CC1=CC=NC(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300032167815	1	44	-1.0	-68.67	369.79	4.90	-63.77
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CN=CC(O)=C1	REAL300032167919	0	41	-1.0	-66.16	347.60	1.52	-64.64
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CN=CC([O-])=C1	REAL300032167919	1	41	-1.0	-66.16	347.60	1.52	-64.64
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=CC(=S)N1[O-]	REAL300032167929	0	42	-1.0	-71.89	372.82	4.52	-67.37
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300032168036	0	41	-1.0	-60.27	365.64	3.05	-57.22
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C([O-])C=C1Cl	REAL300032168074	1	42	-1.0	-59.70	371.02	3.82	-55.88
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)CC1=NC([O-])=CS1	REAL300032168085	0	41	-1.0	-76.52	364.98	0.03	-76.49
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=C([O-])C=CC=C1F	REAL300032168100	1	42	-1.0	-71.55	364.94	3.61	-67.94
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300032168102	0	44	-1.0	-63.39	380.26	0.64	-62.75
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C(F)C=C1[O-]	REAL300032168103	0	42	-1.0	-65.06	361.91	4.17	-60.89
CC1=CC=C(F)C([O-])=C1C(=O)N(C)CC1CCN(C(=O)C2=NSNC2=O)C1	REAL300032168133	0	45	-1.0	-75.66	385.19	4.10	-71.56
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)CC1SC(=O)[N-]C1=O	REAL300032168195	0	42	-1.0	-55.15	372.57	-0.75	-55.90
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C([O-])C(F)=C1F	REAL300032168220	0	42	-1.0	-65.04	366.85	3.42	-61.62
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300032168226	0	42	-1.0	-70.64	365.76	5.26	-65.38
CC1=CC(=O)C(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032168254	0	43	-1.0	-61.03	365.29	4.14	-56.89
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300032168279	0	42	-1.0	-69.32	361.73	3.89	-65.43
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300032168307	0	42	-1.0	-75.32	374.98	1.75	-73.57
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300032168353	0	41	-1.0	-64.87	354.05	0.51	-64.36
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=C(F)C=CC(O)=C1O	REAL300032168402	0	43	-1.0	-69.64	376.45	1.61	-68.03
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300032168402	1	43	-1.0	-69.64	376.45	1.61	-68.03
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300032168411	0	43	-1.0	-63.71	370.58	5.15	-58.56
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300032168494	0	42	-1.0	-61.81	372.65	1.45	-60.36
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C(F)C(O)=C1	REAL300032168545	0	42	-1.0	-69.47	359.00	3.37	-66.10
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C(F)C([O-])=C1	REAL300032168545	1	42	-1.0	-69.47	359.00	3.37	-66.10
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C(Cl)C=C1O	REAL300032168563	0	42	-1.0	-64.87	372.23	4.63	-60.24
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300032168563	1	42	-1.0	-64.87	372.23	4.63	-60.24
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300032168630	0	40	-1.0	-61.45	349.31	-1.92	-63.37
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300032168630	1	40	-1.0	-62.43	349.43	-1.11	-63.54
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CN=C(N)[N-]C1=O	REAL300032168684	1	42	-1.0	-62.50	365.83	0.61	-61.89
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C(F)C([O-])=C1F	REAL300032168717	0	42	-1.0	-74.01	366.80	3.41	-70.60
COC1=NC(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300032168759	0	44	-1.0	-62.97	375.69	-0.98	-63.95
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300032168768	0	41	-1.0	-65.06	365.67	4.71	-60.35
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300032168806	0	42	-1.0	-65.68	368.80	3.87	-61.81
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=NC=C1[O-]	REAL300032168815	0	41	-1.0	-65.57	350.49	2.23	-63.34
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300032168821	0	38	-1.0	-63.44	332.22	0.52	-62.92
CC1=C([O-])N=C(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)C2)S1	REAL300032168843	1	41	-1.0	-64.53	363.34	1.12	-63.41
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300032168935	1	44	-1.0	-60.04	374.75	3.56	-56.48
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CN=C(C=N[O-])S1	REAL300032168954	0	41	-1.0	-81.10	368.06	1.26	-79.84
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300032168975	1	41	-1.0	-54.76	366.51	3.95	-50.81
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300032168995	0	42	-1.0	-57.60	368.32	-0.84	-58.44
CCN1[N-]C(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032169052	0	45	-1.0	-61.83	381.93	3.09	-58.74
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300032169071	0	42	-1.0	-61.19	360.20	2.17	-59.02
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300032169081	0	42	-1.0	-69.08	375.38	0.04	-69.04
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)CC1=CC(=O)N[N-]1	REAL300032169208	1	42	-1.0	-76.43	358.03	0.78	-75.65
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300032169213	1	42	-1.0	-69.43	358.97	3.41	-66.02
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300032169259	0	42	-1.0	-63.04	368.09	3.47	-59.57
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300032169264	0	41	-1.0	-68.72	361.25	3.37	-65.35
CC1=C(CC(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300032169279	0	48	-1.0	-63.93	402.62	3.13	-60.80
CC1=CN=C(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300032169315	1	44	-1.0	-70.21	369.57	4.76	-65.45
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC([O-])=CS1	REAL300032169336	0	39	-1.0	-70.40	343.54	2.08	-68.32
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300032169352	0	42	-1.0	-86.51	356.18	3.82	-82.69
CN(CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1)C(=O)C1=NSNC1=O	REAL300032169504	0	42	-1.0	-58.25	360.39	2.15	-56.10
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=NSNC1=O	REAL300032169511	0	42	-1.0	-64.96	375.56	0.06	-64.90
CN(CC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C(=O)C1=NSNC1=O	REAL300032169660	0	40	-1.0	-59.37	347.93	-2.12	-61.49
CN(CC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C(=O)C1=NSNC1=O	REAL300032169660	1	40	-1.0	-51.85	351.47	-1.29	-53.14
CN(CC1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1)C(=O)C1=NSNC1=O	REAL300032169799	0	44	-1.0	-59.08	380.16	0.82	-58.26
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NSNC1=O	REAL300032169806	0	38	-1.0	-59.30	332.75	0.64	-58.66
CN(CC1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C(=O)C1=NSNC1=O	REAL300032169817	0	42	-1.0	-63.52	371.16	1.54	-61.98
CN(CC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1)C(=O)C1=NSNC1=O	REAL300032170624	0	43	-1.0	-67.10	363.51	-2.44	-69.54
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CN(CC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1)C(=O)C1=NSNC1=O	REAL300032171019	0	45	-1.0	-76.70	370.76	4.63	-72.07
CN(CC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1)C(=O)C1=NSNC1=O	REAL300032171094	0	45	-1.0	-59.57	371.20	-0.27	-59.84
CN(CC1CCN(C(=O)C2=COC(=O)[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300032171105	1	41	-1.0	-62.02	342.23	1.32	-60.70
CCN1[N-]C(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032171210	0	48	-1.0	-62.53	392.22	3.83	-58.70
CN(CC1CCN(C(=O)CC2=CC(=O)N[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300032171217	1	45	-1.0	-65.43	371.34	1.59	-63.84
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CN(CC1CCN(C(=O)C2=C[N-]N=CC2=O)CC1)C(=O)C1=NSNC1=O	REAL300032171288	0	43	-1.0	-52.41	355.64	2.62	-49.79
CN(CC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300032171346	0	42	-1.0	-60.65	347.45	1.15	-59.50
CN(CC1CCN(C(=O)C(=O)[PH](C)(C)[O-])CC1)C(=O)C1=NSNC1=O	REAL300032171351	0	47	-1.0	-59.35	382.31	2.13	-57.22
CN(CC1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1)C(=O)C1=NSNC1=O	REAL300032171371	0	45	-1.0	-73.65	369.90	4.56	-69.09
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CC1=C([O-])N=C(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)CC2)S1	REAL300032171390	1	44	-1.0	-59.65	374.45	1.98	-57.67
CN(CC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1)C(=O)C1=NSNC1=O	REAL300032171405	0	45	-1.0	-76.26	373.02	4.66	-71.60
CN(CC1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1)C(=O)C1=NSNC1=O	REAL300032171427	0	45	-1.0	-97.68	370.78	5.38	-92.30
CN(CC1CCN(C(=O)CC2=NC([O-])=CS2)CC1)C(=O)C1=NSNC1=O	REAL300032171529	0	44	-1.0	-76.71	377.19	0.88	-75.83
CC1=CC(=O)C(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300032171668	0	46	-1.0	-64.15	376.46	4.91	-59.24
CN(CC1CCN(C(=O)C2=NNC(=O)[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300032171678	0	41	-1.0	-64.46	342.25	-0.28	-64.74
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=NC=CC=C1[O-]	REAL300032172013	1	44	-1.0	-75.08	359.82	4.88	-70.20
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300032172102	0	43	-1.0	-68.50	359.39	-0.98	-69.48
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)CN1C(=O)[N-]NC1=O	REAL300032172189	0	45	-1.0	-70.51	376.43	0.48	-70.03
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=COC(=O)[N-]1	REAL300032172985	1	41	-1.0	-57.42	342.74	1.23	-56.19
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC=C([O-])C=C1F	REAL300032173047	1	45	-1.0	-58.49	368.72	4.12	-54.37
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC([O-])=CC(=O)O1	REAL300032173050	0	44	-1.0	-55.04	369.08	3.57	-51.47
CC1=CC=C([O-])C(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)CC2)=N1	REAL300032173097	1	47	-1.0	-75.99	381.42	5.46	-70.53
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=C[N-]N=CC1=O	REAL300032173107	0	43	-1.0	-60.70	361.56	2.67	-58.03
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC=CC(F)=C1[O-]	REAL300032173114	0	45	-1.0	-68.02	373.98	4.82	-63.20
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC=CC([O-])=C1F	REAL300032173169	1	45	-1.0	-66.59	374.24	4.21	-62.38
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC(=O)N[N-]1	REAL300032173234	0	42	-1.0	-61.11	348.00	1.20	-59.91
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300032173239	0	47	-1.0	-46.57	381.96	2.35	-44.22
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300032173285	0	45	-1.0	-72.66	378.73	4.81	-67.85
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=NC(=O)N[N-]1	REAL300032173300	0	41	-1.0	-53.14	343.22	0.46	-52.68
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC=CN([O-])C1=O	REAL300032173304	0	45	-1.0	-82.48	377.42	4.82	-77.66
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC(F)=CC=C1O	REAL300032173401	0	45	-1.0	-72.78	369.99	5.39	-67.39
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC(F)=CC=C1[O-]	REAL300032173401	1	45	-1.0	-72.78	369.99	5.39	-67.39
CC1=CC=NC(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)CC2)=C1O	REAL300032173442	0	47	-1.0	-74.41	380.14	5.57	-68.84
CC1=CC=NC(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)CC2)=C1[O-]	REAL300032173442	1	47	-1.0	-74.41	380.14	5.57	-68.84
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CN=CC(O)=C1	REAL300032173497	0	44	-1.0	-69.66	359.78	2.14	-67.52
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CN=CC([O-])=C1	REAL300032173497	1	44	-1.0	-69.66	359.78	2.14	-67.52
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)CC1=NC([O-])=CS1	REAL300032173576	0	44	-1.0	-85.06	377.21	0.85	-84.21
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=C(O)C=CC=C1F	REAL300032173587	0	45	-1.0	-67.34	377.70	4.36	-62.98
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=C([O-])C=CC=C1F	REAL300032173587	1	45	-1.0	-67.34	377.70	4.36	-62.98
CC1=CC(=O)C(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300032173672	0	46	-1.0	-65.17	376.54	4.89	-60.28
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300032173687	0	45	-1.0	-81.64	377.66	4.56	-77.08
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300032173729	0	44	-1.0	-60.33	366.29	1.30	-59.03
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC=C(F)C(O)=C1	REAL300032173844	0	45	-1.0	-75.21	373.25	4.11	-71.10
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC=C(F)C([O-])=C1	REAL300032173844	1	45	-1.0	-75.21	373.25	4.11	-71.10
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300032173891	0	43	-1.0	-60.87	361.09	-1.14	-62.01
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300032173891	1	43	-1.0	-56.79	361.66	-0.36	-57.15
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CN=C(N)[N-]C1=O	REAL300032173926	1	45	-1.0	-69.19	375.33	1.32	-67.87
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC=NC=C1[O-]	REAL300032174002	0	44	-1.0	-74.99	362.27	2.65	-72.34
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300032174007	0	41	-1.0	-65.57	342.98	1.30	-64.27
CC1=C([O-])N=C(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)CC2)S1	REAL300032174022	1	44	-1.0	-62.86	374.84	1.97	-60.89
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300032174114	0	45	-1.0	-59.21	378.84	-0.10	-59.31
CCN1[N-]C(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032174152	0	48	-1.0	-56.98	392.98	3.82	-53.16
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300032174168	0	45	-1.0	-56.33	371.25	2.89	-53.44
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)CC1=CC(=O)N[N-]1	REAL300032174246	1	45	-1.0	-72.07	371.42	1.57	-70.50
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300032174250	1	45	-1.0	-67.05	373.22	4.14	-62.91
CC1=CN=C(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)CC2)C([O-])=C1	REAL300032174306	1	47	-1.0	-76.61	381.27	5.52	-71.09
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC([O-])=CS1	REAL300032174318	0	42	-1.0	-67.07	347.65	2.48	-64.59
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300032174329	0	45	-1.0	-71.67	378.50	4.79	-66.88
CN(CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300032174420	0	45	-1.0	-63.19	370.37	2.90	-60.29
CN(CC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1)C(=O)C1=NSNC1=O	REAL300032174505	0	43	-1.0	-52.94	361.46	-0.46	-53.40
CN(CC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300032174505	1	43	-1.0	-52.94	361.46	-0.46	-53.40
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NSNC1=O	REAL300032174606	0	41	-1.0	-61.89	342.61	1.24	-60.65
O=C(N[C@H]1CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300032175102	1	44	-1.0	-75.35	382.60	0.87	-74.48
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032175741	0	45	-1.0	-61.73	388.41	-1.06	-62.79
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032175957	0	43	-1.0	-65.48	376.06	-3.80	-69.28
CC(=O)[N-]C1=NC(C(=O)N2CCC[C@H](NC(=O)C3=NSNC3=O)C2)=CS1	REAL300032175958	1	41	-1.0	-54.46	367.48	0.21	-54.25
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032176116	1	44	-1.0	-68.07	381.81	0.33	-67.74
COC1=C(C(=O)N2CCC[C@H](NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300032176225	1	42	-1.0	-62.76	371.61	-4.09	-66.85
O=C(N[C@H]1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300032176339	0	37	-1.0	-68.91	329.89	-4.01	-72.92
O=C(CN1C(=O)[N-]NC1=O)N1CCC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032176456	0	39	-1.0	-70.66	345.84	-2.31	-72.97
O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300032178035	0	36	-1.0	-60.73	316.88	-1.63	-62.36
C[PH](C)([O-])C(=O)C(=O)N1CCC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032178040	0	41	-1.0	-62.65	356.22	-0.69	-63.34
CN1[N-]C(CC(=O)N2CCC[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032178043	0	42	-1.0	-75.87	363.60	0.50	-75.37
O=C(N[C@H]1CCCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=NSNC1=O	REAL300032178089	0	39	-1.0	-90.84	346.97	2.02	-88.82
CSC1=NC=C(C(=O)N2CCC[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032178109	1	41	-1.0	-58.61	365.32	-0.41	-59.02
CC1=C([O-])N=C(C(=O)N2CCC[C@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300032178134	1	38	-1.0	-61.68	343.66	-0.85	-62.53
O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=NSNC1=O	REAL300032178155	1	38	-1.0	-57.26	347.33	1.87	-55.39
O=C(N[C@H]1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=NSNC1=O	REAL300032178177	0	39	-1.0	-71.03	347.38	2.03	-69.00
O=C(N[C@H]1CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=NSNC1=O	REAL300032178237	0	39	-1.0	-68.43	340.00	2.15	-66.28
O=C(C[N-]C(=O)C(F)(F)F)N1CCC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032178407	0	38	-1.0	-62.08	350.30	-2.01	-64.09
NC1=NC([O-])=C(CC(=O)N2CCC[C@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300032178408	0	40	-1.0	-85.64	361.47	-2.82	-88.46
O=C(CC1=NC([O-])=CS1)N1CCC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032178468	0	38	-1.0	-85.40	346.69	-1.95	-87.35
CCC1=NC=C(C(=O)N2CCC[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032178493	1	43	-1.0	-58.32	364.01	0.08	-58.24
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032178505	0	40	-1.0	-76.85	356.19	-3.43	-80.28
O=C(N[C@H]1CCCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=NSNC1=O	REAL300032178582	0	35	-1.0	-63.05	336.38	-0.91	-63.96
COCC1=NC=C(C(=O)N2CCC[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032178689	0	44	-1.0	-59.52	376.94	-1.68	-61.20
COCC1=NC=C(C(=O)N2CCC[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032178689	1	44	-1.0	-59.52	376.94	-1.68	-61.20
CC1=CC(=O)C(C(=O)N2CCC[C@H](NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032178790	0	40	-1.0	-67.74	347.04	1.86	-65.88
O=C(N[C@H]1CCCN(C(=O)C2=NNC(=O)[N-]2)C1)C1=NSNC1=O	REAL300032178809	0	35	-1.0	-65.22	311.47	-3.13	-68.35
O=C(N[C@H]1CCCN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C1)C1=NSNC1=O	REAL300032178834	0	40	-1.0	-58.53	358.89	0.88	-57.65
O=C(N[C@H]1CCCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=NSNC1=O	REAL300032178834	1	40	-1.0	-58.53	358.89	0.88	-57.65
O=C(N[C@H]1CCCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=NSNC1=O	REAL300032178972	0	38	-1.0	-73.81	352.57	-0.64	-74.45
COC1=NC(C(=O)N2CCC[C@H](NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300032178992	0	41	-1.0	-66.59	359.84	-3.22	-69.81
O=C(N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=NC=CC=C1[O-]	REAL300032179251	1	38	-1.0	-77.14	329.17	1.73	-75.41
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032179371	1	44	-1.0	-72.66	379.05	0.55	-72.11
CC(=O)[N-]C1=NC(C(=O)N[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)=CS1	REAL300032179383	1	41	-1.0	-56.53	367.53	-0.08	-56.61
O=C(N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300032179415	0	37	-1.0	-68.72	328.97	-3.73	-72.45
COC1=C(C(=O)N[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300032179469	1	42	-1.0	-65.03	362.20	-2.45	-67.48
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032179638	0	39	-1.0	-70.43	342.80	-2.09	-72.52
O=C(CCCN1C(=O)[N-]NC1=O)N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032180628	0	45	-1.0	-70.97	385.61	-0.86	-71.83
O=C(N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300032180835	1	44	-1.0	-59.48	373.47	1.53	-57.95
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032181688	0	43	-1.0	-66.27	373.02	-3.63	-69.90
O=C(N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300032181698	0	41	-1.0	-69.16	360.30	3.71	-65.45
O=C(N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(Cl)=CC=C1[O-]	REAL300032181712	1	39	-1.0	-76.44	348.96	4.02	-72.42
N#CC1=CC([O-])=CC(C(=O)N[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)=C1	REAL300032181743	1	40	-1.0	-57.11	355.25	2.25	-54.86
NC1=CC=C(C(=O)N[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)C([O-])=C1Cl	REAL300032181770	0	41	-1.0	-83.24	360.76	1.99	-81.25
O=C(N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300032181832	0	41	-1.0	-85.97	357.95	4.71	-81.26
CCC1=NC=C(C(=O)N[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032181863	1	43	-1.0	-58.04	362.63	0.88	-57.16
O=C(N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=COC(=O)[N-]1	REAL300032181887	1	35	-1.0	-58.44	312.29	-2.67	-61.11
CC1=CC=NC(C(=O)N[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300032182966	1	41	-1.0	-78.40	349.80	2.47	-75.93
O=C(N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN=CC([O-])=C1	REAL300032183137	1	38	-1.0	-69.38	329.13	0.03	-69.35
O=C(N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=S)N1[O-]	REAL300032183150	0	39	-1.0	-105.26	348.60	4.46	-100.80
NC1=CC(C(=O)N[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)=CC([O-])=C1Cl	REAL300032183306	1	41	-1.0	-60.93	363.11	0.35	-60.58
O=C(N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(Cl)=N1	REAL300032183311	0	38	-1.0	-56.60	347.78	0.64	-55.96
O=C(N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C=C1Cl	REAL300032183373	1	39	-1.0	-65.47	346.88	2.42	-63.05
N#CC1=CC(C(=O)N[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)=C([O-])C=C1N	REAL300032183376	0	42	-1.0	-74.46	365.95	1.78	-72.68
O=C(CC1=NC([O-])=CS1)N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032183388	0	38	-1.0	-86.25	343.63	-1.78	-88.03
O=C(N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C=CC=C1F	REAL300032183410	1	39	-1.0	-68.91	343.84	1.80	-67.11
O=C(CN1[N-]C(=O)C=CC1=O)N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032183413	0	41	-1.0	-72.31	359.14	-1.07	-73.38
O=C(N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(F)C=C1[O-]	REAL300032183415	0	39	-1.0	-80.23	338.63	3.57	-76.66
CC1=CC=C(F)C([O-])=C1C(=O)N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032183463	0	42	-1.0	-78.32	363.29	2.35	-75.97
O=C(CC1SC(=O)[N-]C1=O)N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032183552	0	39	-1.0	-61.88	351.40	-2.50	-64.38
O=C(N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(F)=C1F	REAL300032183585	0	39	-1.0	-70.44	345.00	2.05	-68.39
O=C(N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300032183588	1	40	-1.0	-51.41	354.07	0.68	-50.73
O=C(N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(Cl)=C1[O-]	REAL300032183594	0	39	-1.0	-80.55	348.26	4.03	-76.52
CC1=CC(=O)C(C(=O)N[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032183631	0	40	-1.0	-66.37	345.84	2.09	-64.28
O=C(C=C([O-])C1=CC=C(O)C=C1)N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032183637	0	44	-1.0	-81.58	375.62	1.96	-79.62
O=C(N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300032183669	0	39	-1.0	-101.18	337.49	3.42	-97.76
N#CC1=CC=C(C(=O)N[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032183712	0	39	-1.0	-52.30	347.34	0.38	-51.92
O=C(COC1=NC(=O)[N-]C(=O)N1)N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032183713	0	41	-1.0	-67.13	364.24	-5.51	-72.64
O=C(COC1=NC(=O)NC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032183713	1	41	-1.0	-62.80	364.19	-5.45	-68.25
O=C(N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300032183742	0	41	-1.0	-59.95	358.08	3.52	-56.43
CN1N=C(C(=O)N[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300032183786	0	38	-1.0	-69.14	334.74	-1.45	-70.59
[N-]=[N+]=NC1=CC(C(=O)N[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)=CC=C1[O-]	REAL300032183821	0	41	-1.0	-64.56	362.06	-0.26	-64.82
O=C(N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=C(F)C=CC(O)=C1O	REAL300032183863	0	40	-1.0	-71.59	354.81	-0.10	-71.69
O=C(N[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=C(F)C=CC(O)=C1[O-]	REAL300032183863	1	40	-1.0	-71.59	354.81	-0.10	-71.69
N#CC1=CC=C([O-])C(C(=O)N[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)=C1	REAL300032183873	0	40	-1.0	-72.32	353.06	3.91	-68.41
O=C(N[C@H]1CCCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=NSNC1=O	REAL300032185960	0	39	-1.0	-64.90	352.09	-0.60	-65.50
O=C(N[C@H]1CCCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1)C1=NSNC1=O	REAL300032185995	1	40	-1.0	-62.22	363.01	-0.02	-62.24
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300032186513	1	44	-1.0	-59.07	373.55	1.45	-57.62
O=C([N-][C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C(F)(F)C(F)(F)F	REAL300032189020	0	34	-1.0	-55.89	315.45	0.64	-55.25
CCN1[N-]C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032189128	0	42	-1.0	-64.90	361.69	0.97	-63.93
O=C(CC1=CC(=O)N[N-]1)N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032189136	1	39	-1.0	-74.95	338.06	-1.03	-75.98
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=S)N1[O-]	REAL300032189160	0	39	-1.0	-104.95	349.22	4.25	-100.70
O=C(CC1SC(=O)[N-]C1=O)N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032189174	0	39	-1.0	-60.77	350.93	-2.53	-63.30
CN1N=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300032189193	0	38	-1.0	-68.97	334.63	-1.45	-70.42
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=C[N-]N=CC1=O	REAL300032189308	0	37	-1.0	-52.85	322.25	0.31	-52.54
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C2N=NN([O-])C2=C1	REAL300032189348	0	41	-1.0	-80.10	356.59	0.93	-79.17
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300032189446	0	36	-1.0	-61.06	317.14	-1.67	-62.73
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032189451	0	41	-1.0	-62.04	350.30	-0.34	-62.38
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CN([O-])C1=O	REAL300032189500	0	39	-1.0	-67.11	337.56	2.59	-64.52
CSC1=NC=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032189520	0	41	-1.0	-58.24	363.72	0.38	-57.86
CSC1=NC=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032189520	1	41	-1.0	-58.24	363.72	0.38	-57.86
CC1SC(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300032189545	0	38	-1.0	-63.93	343.93	-1.53	-65.46
CC1=C([O-])N=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300032189545	1	38	-1.0	-63.93	343.93	-1.53	-65.46
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)N1	REAL300032189566	0	38	-1.0	-58.75	347.53	1.64	-57.11
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300032189566	1	38	-1.0	-58.75	347.53	1.64	-57.11
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N([O-])C=C1	REAL300032189588	0	39	-1.0	-80.92	341.04	2.21	-78.71
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300032189648	0	39	-1.0	-100.84	338.11	3.21	-97.63
NC1=NC([O-])=C(CC(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300032189819	0	40	-1.0	-79.69	358.48	-2.63	-82.32
O=C(CC1=NC([O-])=CS1)N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032189879	0	38	-1.0	-82.59	343.66	-1.76	-84.35
CCC1=NC=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032189904	0	43	-1.0	-57.89	362.47	0.86	-57.03
CCC1=NC=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032189904	1	43	-1.0	-57.89	362.47	0.86	-57.03
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=C(Cl)C(=O)[N-]S1	REAL300032189993	0	35	-1.0	-62.61	335.59	-0.55	-63.16
COCC1=NC=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032190100	0	44	-1.0	-59.10	375.40	-0.90	-60.00
COCC1=NC=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032190100	1	44	-1.0	-59.10	375.40	-0.90	-60.00
CC1=CC(=O)C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032190201	0	40	-1.0	-67.53	346.11	2.12	-65.41
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)N[N-]1	REAL300032190220	0	35	-1.0	-59.85	311.97	-2.95	-62.80
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300032190245	0	40	-1.0	-60.32	354.58	1.37	-58.95
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300032190245	1	40	-1.0	-60.32	354.58	1.37	-58.95
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300032190383	0	38	-1.0	-73.17	352.52	-0.09	-73.26
O=C(N[C@@H]1CCCN(C(=O)C2=NC=CC=C2O)C1)C1=NSNC1=O	REAL300032190662	0	38	-1.0	-78.84	329.26	2.02	-76.82
O=C(N[C@@H]1CCCN(C(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300032190662	1	38	-1.0	-78.84	329.26	2.02	-76.82
O=C(CCN1C=CNC(=O)C1=O)N1CCC[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300032190782	0	44	-1.0	-68.08	381.81	0.34	-67.74
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300032190782	1	44	-1.0	-68.08	381.81	0.34	-67.74
CC(=O)NC1=NC(C(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)C2)=CS1	REAL300032190794	0	41	-1.0	-54.49	367.42	0.21	-54.28
CC(=O)[N-]C1=NC(C(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)C2)=CS1	REAL300032190794	1	41	-1.0	-54.49	367.42	0.21	-54.28
O=C(N[C@@H]1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300032190826	0	37	-1.0	-68.58	328.84	-3.81	-72.39
COC1=C(C(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)C2)NC(=O)NC1=O	REAL300032190880	0	42	-1.0	-62.05	371.75	-4.09	-66.14
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CSC1=NC=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032221431	1	35	-1.0	-58.27	343.41	-1.78	-60.05
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CCN1[N-]C(C(=O)N2CC(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032221538	0	36	-1.0	-54.79	332.92	-0.66	-55.45
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CN1[N-]C(C(=O)N2CC(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032221563	0	33	-1.0	-54.08	311.11	-1.59	-55.67
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CSC1=NC=C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032235754	0	38	-1.0	-60.94	364.66	-1.18	-62.12
CSC1=NC=C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032235754	1	38	-1.0	-60.94	364.66	-1.18	-62.12
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CCN1[N-]C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032235863	0	39	-1.0	-57.64	354.17	-0.03	-57.67
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CN1[N-]C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032235889	0	36	-1.0	-56.82	332.36	-0.97	-57.79
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CC1=C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)C2)C(=S)NC(=O)N1	REAL300032235910	0	38	-1.0	-65.96	361.60	-1.32	-67.28
CC1=C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300032235910	1	38	-1.0	-65.96	361.60	-1.32	-67.28
CC1=C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)C2)C(=O)NC(C2CC2)=N1	REAL300032235921	0	44	-1.0	-62.75	392.90	0.70	-62.05
CC1=C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C2CC2)=N1	REAL300032235921	1	44	-1.0	-62.75	392.90	0.70	-62.05
O=C(NCC1CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1)C1=NSNC1=O	REAL300032235988	1	41	-1.0	-64.47	372.21	1.03	-63.44
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CC1=C(CC(=O)N2CC(CNC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300032236228	0	42	-1.0	-63.72	375.53	0.34	-63.38
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CC1=CN=C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300032236284	1	38	-1.0	-68.49	342.85	1.46	-67.03
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CN1[N-]C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032236648	0	36	-1.0	-54.36	332.30	-0.92	-55.28
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CSC1=NC=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032241023	1	39	-1.0	-62.55	360.56	1.18	-61.37
CC1=C([O-])N=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)S1	REAL300032241048	1	36	-1.0	-62.84	331.64	0.19	-62.65
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O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032241331	0	36	-1.0	-51.50	337.83	-0.57	-52.07
NC1=NC([O-])=C(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)S1	REAL300032241332	0	38	-1.0	-69.19	348.94	-1.41	-70.60
O=C(CC1=NC([O-])=CS1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032241397	0	36	-1.0	-69.18	334.12	-0.53	-69.71
CCC1=NC=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032241424	1	41	-1.0	-61.38	359.26	1.66	-59.72
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032241436	0	38	-1.0	-60.44	343.64	-1.97	-62.41
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300032241519	0	33	-1.0	-54.87	320.09	0.55	-54.32
COCC1=NC=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)C(=O)N1	REAL300032241632	0	42	-1.0	-61.60	372.18	-0.09	-61.69
COCC1=NC=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032241632	1	42	-1.0	-61.60	372.18	-0.09	-61.69
CC1=CC(=O)C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)=N[N-]1	REAL300032241739	0	38	-1.0	-55.69	333.06	3.48	-52.21
O=C(C1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032241758	0	33	-1.0	-56.71	299.41	-1.83	-58.54
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300032241783	0	38	-1.0	-55.62	349.77	2.38	-53.24
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300032241783	1	38	-1.0	-55.62	349.77	2.38	-53.24
O=C(C1=CN=C(C=N[O-])S1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032241925	0	36	-1.0	-66.76	337.60	0.82	-65.94
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NC=CC=C1[O-]	REAL300032242205	1	36	-1.0	-62.54	316.31	3.35	-59.19
O=C(CCN1C=C[N-]C(=O)C1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032242329	1	42	-1.0	-62.99	369.28	1.77	-61.22
CC(=O)[N-]C1=NC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)=CS1	REAL300032242341	1	39	-1.0	-51.53	354.63	1.43	-50.10
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NNC(=O)[N-]C1=O	REAL300032242376	0	35	-1.0	-56.60	315.91	-2.38	-58.98
COC1=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)NC(=O)[N-]C1=O	REAL300032242432	1	40	-1.0	-59.14	347.89	-1.16	-60.30
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032242613	0	37	-1.0	-56.16	333.66	-0.91	-57.07
O=C(CCCN1C(=O)[N-]NC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032243677	0	43	-1.0	-55.67	375.87	0.36	-55.31
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300032243900	1	42	-1.0	-62.61	370.34	2.26	-60.35
O=C(CCC1=NNC(=O)[N-]C1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032244814	0	41	-1.0	-55.57	363.50	-2.39	-57.96
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300032244824	0	39	-1.0	-57.27	344.72	4.42	-52.85
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300032244838	1	37	-1.0	-57.77	338.55	4.24	-53.53
N#CC1=CC([O-])=CC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)=C1	REAL300032244872	1	38	-1.0	-55.67	339.63	2.96	-52.71
NC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)C([O-])=C1Cl	REAL300032244899	0	39	-1.0	-61.76	349.98	2.39	-59.37
NC1=CC(=O)[N-]C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)=N1	REAL300032245972	0	37	-1.0	-60.80	328.65	-0.65	-61.45
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300032246045	0	37	-1.0	-55.17	334.74	3.15	-52.02
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(F)=CC=C1[O-]	REAL300032246052	1	37	-1.0	-57.52	328.24	3.79	-53.73
CC1=CC=NC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)=C1[O-]	REAL300032246147	1	39	-1.0	-62.20	336.66	4.03	-58.17
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300032246207	0	37	-1.0	-60.41	343.80	4.45	-55.96
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CN=CC([O-])=C1	REAL300032246330	1	36	-1.0	-56.85	314.31	0.71	-56.14
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=CC(=S)N1[O-]	REAL300032246343	0	37	-1.0	-81.12	345.11	3.91	-77.21
NC1=CC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)=CC([O-])=C1Cl	REAL300032246507	1	39	-1.0	-57.84	347.49	1.06	-56.78
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300032246512	0	36	-1.0	-51.85	334.59	2.16	-49.69
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=C([O-])C=C1Cl	REAL300032246579	1	37	-1.0	-54.48	336.78	3.18	-51.30
N#CC1=CC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)=C([O-])C=C1N	REAL300032246582	0	40	-1.0	-56.55	355.64	2.01	-54.54
O=C(CC1=NC([O-])=CS1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032246594	0	36	-1.0	-69.18	334.12	-0.53	-69.71
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=C([O-])C=CC=C1F	REAL300032246617	0	37	-1.0	-60.87	334.43	3.01	-57.86
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032246620	0	39	-1.0	-56.61	349.62	0.09	-56.52
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=C(F)C=C1[O-]	REAL300032246622	0	37	-1.0	-59.33	327.98	3.91	-55.42
CC1=CC=C(F)C([O-])=C1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032246671	0	40	-1.0	-67.17	353.87	3.58	-63.59
O=C(CC1SC(=O)[N-]C1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032246763	0	37	-1.0	-50.80	341.67	-1.28	-52.08
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=C([O-])C(F)=C1F	REAL300032246796	0	37	-1.0	-56.48	334.24	2.88	-53.60
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300032246799	1	38	-1.0	-50.31	350.73	1.41	-48.90
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300032246805	0	37	-1.0	-59.62	337.56	4.40	-55.22
CC1=CC(=O)C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)=N[N-]1	REAL300032246842	0	38	-1.0	-55.69	333.06	3.48	-52.21
O=C(C=C([O-])C1=CC=C(O)C=C1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032246848	0	42	-1.0	-64.64	365.69	3.16	-61.48
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=CC(=O)N1[O-]	REAL300032246880	0	37	-1.0	-73.33	334.00	3.28	-70.05
N#CC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032246927	0	37	-1.0	-56.63	343.95	1.21	-55.42
O=C(COC1=NC(=O)[N-]C(=O)N1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032246928	0	39	-1.0	-58.33	354.74	-4.26	-62.59
O=C(COC1=NC(=O)NC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032246928	1	39	-1.0	-51.60	354.64	-4.20	-55.80
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300032246959	0	39	-1.0	-50.31	347.38	4.21	-46.10
CN1N=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)[N-]C1=O	REAL300032247003	0	36	-1.0	-59.30	322.18	-0.16	-59.46
[N-]=[N+]=NC1=CC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)=CC=C1[O-]	REAL300032247042	0	39	-1.0	-52.57	350.14	0.56	-52.01
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=C(F)C=CC(O)=C1O	REAL300032247085	0	38	-1.0	-59.13	345.26	1.06	-58.07
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300032247085	1	38	-1.0	-59.13	345.26	1.06	-58.07
N#CC1=CC=C([O-])C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)=C1	REAL300032247096	0	38	-1.0	-55.04	342.38	4.29	-50.75
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CN([O-])C(=O)NC1=O	REAL300032247231	0	37	-1.0	-57.11	339.55	0.85	-56.26
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300032247269	0	37	-1.0	-54.44	343.98	4.44	-50.00
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=C(F)C([O-])=C1	REAL300032247301	1	37	-1.0	-60.37	324.99	2.65	-57.72
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300032247310	1	42	-1.0	-69.81	362.44	4.34	-65.47
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300032247314	0	39	-1.0	-56.21	349.73	4.49	-51.72
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300032247317	0	39	-1.0	-52.25	349.70	4.55	-47.70
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300032247331	1	37	-1.0	-59.15	338.29	4.35	-54.80
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300032247352	0	39	-1.0	-52.38	346.98	3.24	-49.14
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300032247436	0	35	-1.0	-58.83	317.50	-2.88	-61.71
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300032247436	1	35	-1.0	-51.29	318.03	-2.10	-53.39
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300032247471	0	39	-1.0	-62.23	340.95	1.63	-60.60
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300032247514	1	42	-1.0	-66.44	361.48	5.69	-60.75
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300032247515	0	33	-1.0	-54.87	320.09	0.55	-54.32
NC1=NC=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032247539	1	37	-1.0	-61.87	332.62	0.01	-61.86
CC1=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)[N-]C(=O)C(C#N)=C1	REAL300032247573	0	40	-1.0	-53.50	354.15	2.87	-50.63
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=C(F)C([O-])=C1F	REAL300032247598	0	37	-1.0	-63.06	334.19	2.86	-60.20
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300032247657	0	37	-1.0	-55.06	340.94	3.22	-51.84
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300032247663	1	38	-1.0	-55.62	349.77	2.38	-53.24
COC1=NC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300032247669	0	39	-1.0	-57.01	343.68	-1.87	-58.88
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300032247672	0	39	-1.0	-58.54	348.95	1.43	-57.11
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300032247685	0	36	-1.0	-58.73	332.50	3.85	-54.88
O=C(CC1=CC=C([O-])C(Cl)=C1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032247691	1	40	-1.0	-61.16	365.29	4.32	-56.84
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300032247732	0	37	-1.0	-56.27	334.79	3.12	-53.15
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=NC=C1[O-]	REAL300032247743	0	36	-1.0	-59.50	316.73	1.98	-57.52
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032247753	0	33	-1.0	-58.16	299.81	-0.11	-58.27
CC1=C([O-])N=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)S1	REAL300032247788	1	36	-1.0	-62.84	331.64	0.19	-62.65
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=C([O-])C=CC2=CC=CC=C21	REAL300032247839	1	43	-1.0	-64.16	373.39	5.19	-58.97
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300032247859	1	43	-1.0	-64.33	366.63	6.21	-58.12
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300032247867	1	43	-1.0	-66.45	368.03	6.00	-60.45
O=C(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O)C1=CC=C([O-])C=C1	REAL300032247919	1	39	-1.0	-55.74	342.50	2.84	-52.90
O=C(C1=CN=C(C=N[O-])S1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032247957	0	36	-1.0	-66.76	337.60	0.82	-65.94
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300032247993	1	36	-1.0	-50.05	334.38	3.17	-46.88
CSC1=NC=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032248019	1	39	-1.0	-62.55	360.56	1.18	-61.37
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)NC([O-])=C1	REAL300032248028	0	37	-1.0	-52.35	335.26	-1.40	-53.75
CCN1[N-]C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)=CC1=O	REAL300032248111	0	40	-1.0	-56.49	349.25	2.31	-54.18
CN1[N-]C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)=CC1=O	REAL300032248133	0	37	-1.0	-55.87	327.50	1.36	-54.51
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300032248147	1	40	-1.0	-64.11	353.91	0.85	-63.26
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032248151	0	37	-1.0	-56.50	344.82	-0.60	-57.10
CC1=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)C(=S)[N-]C(=O)N1	REAL300032248153	1	39	-1.0	-69.34	356.15	0.64	-68.70
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=C([O-])C=NC2=CC=CC=C21	REAL300032248224	1	42	-1.0	-60.35	368.10	3.26	-57.09
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032248333	1	37	-1.0	-58.36	328.30	0.19	-58.17
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=C([O-])C(F)=C1	REAL300032248339	1	37	-1.0	-59.15	324.95	2.68	-56.47
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300032248402	0	37	-1.0	-58.77	331.47	2.72	-56.05
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300032248408	0	36	-1.0	-57.52	332.71	2.44	-55.08
CC1=C(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)C(=O)N(C)[N-]1	REAL300032248429	0	43	-1.0	-59.42	371.53	2.54	-56.88
CC1=CN=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)C([O-])=C1	REAL300032248479	1	39	-1.0	-63.93	337.78	3.98	-59.95
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=C(O)C=CC(Cl)=C1[O-]	REAL300032248494	0	38	-1.0	-57.53	355.24	0.69	-56.84
O=C(C1=CC([O-])=CS1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032248516	0	34	-1.0	-63.01	311.49	1.66	-61.35
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CN([O-])C(=O)C=C1	REAL300032248539	0	37	-1.0	-67.06	334.72	3.49	-63.57
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300032248545	0	37	-1.0	-54.35	343.97	4.46	-49.89
CN1[N-]C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)=CC1=O	REAL300032248786	0	37	-1.0	-55.87	327.50	1.36	-54.51
O=C(C1=NSNC1=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300032248796	1	40	-1.0	-64.11	353.91	0.85	-63.26
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NSNC1=O	REAL300032248799	0	37	-1.0	-56.50	344.82	-0.60	-57.10
CC1=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2=NSNC2=O)C(=S)[N-]C(=O)N1	REAL300032248800	1	39	-1.0	-69.34	356.15	0.64	-68.70
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300032250176	0	41	-1.0	-49.62	365.49	-0.98	-50.60
O=C(CCCN1C(=O)[N-]NC1=O)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300032250726	0	42	-1.0	-65.84	371.43	-1.61	-67.45
CC(C)CN1[N-]C(CC(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032250922	0	48	-1.0	-72.46	405.94	2.14	-70.32
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300032251016	0	40	-1.0	-63.40	359.12	-4.34	-67.74
CC(=O)[N-]C1=NC(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)=CS1	REAL300032251017	1	38	-1.0	-52.38	353.35	-0.84	-53.22
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300032251231	1	41	-1.0	-66.09	364.87	-0.20	-66.29
COC1=C(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300032251376	1	39	-1.0	-61.51	347.95	-3.09	-64.60
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300032251527	0	34	-1.0	-62.72	314.21	-4.37	-67.09
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300032251668	0	36	-1.0	-65.67	328.97	-2.81	-68.48
CC1=C(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C(C)C)=N1	REAL300032251711	1	46	-1.0	-54.18	386.13	1.17	-53.01
O=C(CN1[N-]C=C2C1=NC=NC2=O)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300032251848	0	40	-1.0	-70.01	362.52	0.08	-69.93
O=C(C[N-]C(=O)C(F)(F)F)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300032254126	0	35	-1.0	-56.82	332.71	-2.44	-59.26
NC1=NC([O-])=C(CC(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)S1	REAL300032254127	0	37	-1.0	-80.25	344.63	-3.37	-83.62
O=C(CC1=NC([O-])=CS1)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300032254206	0	35	-1.0	-82.83	329.88	-2.49	-85.32
CCC1=NC=C(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032254238	1	40	-1.0	-53.26	348.44	0.09	-53.17
O=C(CN1N=CC(=O)[N-]C1=O)N[C@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300032254252	0	37	-1.0	-72.47	339.32	-3.92	-76.39
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=C(Cl)C(=O)[N-]S1	REAL300032254352	0	32	-1.0	-58.60	320.79	-1.09	-59.69
COCC1=NC=C(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032254492	0	41	-1.0	-54.29	361.37	-1.67	-55.96
COCC1=NC=C(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032254492	1	41	-1.0	-54.29	361.37	-1.67	-55.96
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(CC2CC2)NC1=O	REAL300032254507	0	44	-1.0	-53.08	379.35	1.69	-51.39
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(CC2CC2)[N-]C1=O	REAL300032254507	1	44	-1.0	-53.08	379.35	1.69	-51.39
CC1=CC(=O)C(C(=O)N[C@H]2CCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032254615	0	37	-1.0	-60.57	331.95	1.39	-59.18
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]1	REAL300032254638	0	32	-1.0	-60.87	297.10	-3.80	-64.67
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300032254669	0	37	-1.0	-57.74	340.56	0.59	-57.15
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300032254669	1	37	-1.0	-57.74	340.56	0.59	-57.15
O=C(N[C@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300032254832	0	35	-1.0	-70.37	337.92	-0.74	-71.11
O=C(N[C@H]1CCN(C(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300032255107	1	35	-1.0	-72.49	315.06	1.25	-71.24
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032255238	1	41	-1.0	-61.73	367.19	-0.40	-62.13
CC(=O)[N-]C1=NC(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)=CS1	REAL300032255256	1	38	-1.0	-51.95	353.29	-0.67	-52.62
O=C(N[C@H]1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300032255297	0	34	-1.0	-60.88	314.01	-4.47	-65.35
COC1=C(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300032255367	1	39	-1.0	-58.56	348.73	-3.34	-61.90
O=C(CN1C(=O)[N-]NC1=O)N1CC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032255578	0	36	-1.0	-59.04	332.31	-3.01	-62.05
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032255648	0	40	-1.0	-61.43	365.86	-0.12	-61.55
O=C(CCCN1C(=O)[N-]NC1=O)N1CC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032256844	0	42	-1.0	-56.67	373.75	-1.80	-58.47
CC(C)CN1[N-]C(CC(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032257055	0	48	-1.0	-64.82	411.69	2.30	-62.52
O=C(N[C@H]1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300032257115	1	41	-1.0	-62.24	368.52	0.12	-62.12
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032257368	0	41	-1.0	-44.27	362.72	-0.52	-44.79
CC1=C(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C(C)C)=N1	REAL300032257923	1	46	-1.0	-71.31	396.21	0.33	-70.98
O=C(N[C@H]1CCN(C(=O)C2=CN=CC([O-])=C2)C1)C1=NSNC1=O	REAL300032260095	1	35	-1.0	-56.38	312.66	-1.37	-57.75
O=C(N[C@H]1CCN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=NSNC1=O	REAL300032260111	0	36	-1.0	-89.87	344.17	1.75	-88.12
O=C(N[C@H]1CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300032260286	1	44	-1.0	-62.17	384.27	0.68	-61.49
NC1=CC(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)=CC([O-])=C1Cl	REAL300032260305	1	38	-1.0	-57.20	346.25	-1.14	-58.34
O=C(N[C@H]1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=NSNC1=O	REAL300032260310	0	35	-1.0	-50.42	332.71	0.12	-50.30
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032260388	0	40	-1.0	-58.75	358.62	0.48	-58.27
O=C(N[C@H]1CCN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=NSNC1=O	REAL300032260395	1	36	-1.0	-57.04	334.53	1.03	-56.01
N#CC1=CC(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)=C([O-])C=C1N	REAL300032260398	0	39	-1.0	-62.21	349.00	0.31	-61.90
O=C(CC1=NC([O-])=CS1)N1CC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032260413	0	35	-1.0	-73.11	333.16	-2.66	-75.77
O=C(N[C@H]1CCN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=NSNC1=O	REAL300032260441	0	36	-1.0	-66.30	332.82	0.87	-65.43
O=C(CN1[N-]C(=O)C=CC1=O)N1CC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032260445	0	38	-1.0	-59.02	348.40	-2.04	-61.06
O=C(N[C@H]1CCN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=NSNC1=O	REAL300032260450	0	36	-1.0	-68.40	324.87	1.91	-66.49
CC1=CC=C(F)C([O-])=C1C(=O)N1CC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032260510	0	39	-1.0	-68.96	352.91	1.41	-67.55
O=C(CC1SC(=O)[N-]C1=O)N1CC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032260625	0	36	-1.0	-50.51	339.59	-3.47	-53.98
O=C(N[C@H]1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=NSNC1=O	REAL300032260659	0	36	-1.0	-64.46	333.73	0.68	-63.78
O=C(N[C@H]1CCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1)C1=NSNC1=O	REAL300032260663	1	37	-1.0	-56.82	349.60	-0.71	-57.53
O=C(N[C@H]1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300032260670	0	36	-1.0	-68.95	334.50	2.38	-66.57
CC1=CC(=O)C(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032260714	0	37	-1.0	-62.43	331.92	1.31	-61.12
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CN1N=C(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300032260891	0	35	-1.0	-64.46	321.01	-2.32	-66.78
[N-]=[N+]=NC1=CC(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)=CC=C1[O-]	REAL300032260938	0	38	-1.0	-55.13	349.51	-1.62	-56.75
O=C(N[C@H]1CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=NSNC1=O	REAL300032260985	1	37	-1.0	-69.97	344.21	-1.08	-71.05
N#CC1=CC=C(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300032260986	0	37	-1.0	-66.02	339.27	2.23	-63.79
N#CC1=CC=C([O-])C(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)=C1	REAL300032261000	0	37	-1.0	-60.54	335.97	2.46	-58.08
O=C(N[C@H]1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=NSNC1=O	REAL300032261163	0	36	-1.0	-60.69	338.41	-1.26	-61.95
O=C(N[C@H]1CCN(C(=O)C2=CC=C(F)C(O)=C2)C1)C1=NSNC1=O	REAL300032261247	0	36	-1.0	-59.03	323.90	0.45	-58.58
O=C(N[C@H]1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=NSNC1=O	REAL300032261247	1	36	-1.0	-59.03	323.90	0.45	-58.58
O=C(N[C@H]1CCN(C(=O)C2=C(O)C3=NC=CC=C3C=C2)C1)C1=NSNC1=O	REAL300032261257	0	41	-1.0	-76.34	355.88	2.49	-73.85
O=C(N[C@H]1CCN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1)C1=NSNC1=O	REAL300032261257	1	41	-1.0	-76.34	355.88	2.49	-73.85
O=C(N[C@H]1CCN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1)C1=NSNC1=O	REAL300032261261	0	38	-1.0	-65.13	346.63	2.50	-62.63
O=C(N[C@H]1CCN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1)C1=NSNC1=O	REAL300032261265	0	38	-1.0	-61.77	349.11	2.13	-59.64
O=C(N[C@H]1CCN(C(=O)C2=CC=C(Cl)C=C2O)C1)C1=NSNC1=O	REAL300032261279	0	36	-1.0	-68.08	335.19	2.36	-65.72
O=C(N[C@H]1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=NSNC1=O	REAL300032261279	1	36	-1.0	-68.08	335.19	2.36	-65.72
O=C(N[C@H]1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300032261420	0	34	-1.0	-54.24	315.66	-4.83	-59.07
O=C(N[C@H]1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300032261420	1	34	-1.0	-52.50	316.88	-4.20	-56.70
O=C(N[C@H]1CCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1)C1=NSNC1=O	REAL300032261471	0	38	-1.0	-65.22	339.67	-0.53	-65.75
O=C(N[C@H]1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1)C1=NSNC1=O	REAL300032261520	1	41	-1.0	-74.58	359.60	3.66	-70.92
O=C(N[C@H]1CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=NSNC1=O	REAL300032261521	0	32	-1.0	-56.92	318.19	-1.72	-58.64
NC1=NC=C(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032261550	1	36	-1.0	-61.71	330.80	-2.12	-63.83
CC1=C(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)[N-]C(=O)C(C#N)=C1	REAL300032261593	0	39	-1.0	-48.79	352.20	0.85	-47.94
O=C(N[C@H]1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1)C1=NSNC1=O	REAL300032261622	0	36	-1.0	-75.07	333.68	0.67	-74.40
O=C(N[C@H]1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1)C1=NSNC1=O	REAL300032261695	0	36	-1.0	-57.33	339.70	1.07	-56.26
O=C(N[C@H]1CCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=NSNC1=O	REAL300032261704	1	37	-1.0	-57.70	348.46	0.28	-57.42
COC1=NC(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300032261711	0	38	-1.0	-62.30	342.19	-3.95	-66.25
O=C(N[C@H]1CCN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1)C1=NSNC1=O	REAL300032261714	0	38	-1.0	-67.03	347.78	-0.75	-67.78
O=C(N[C@H]1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300032261727	0	35	-1.0	-66.86	330.73	1.84	-65.02
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032261734	1	39	-1.0	-63.55	364.40	2.15	-61.40
O=C(N[C@H]1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1)C1=NSNC1=O	REAL300032261786	0	36	-1.0	-55.58	333.71	0.93	-54.65
O=C(N[C@H]1CCN(C(=O)C2=CC=NC=C2[O-])C1)C1=NSNC1=O	REAL300032261798	0	35	-1.0	-73.05	315.71	-0.42	-73.47
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NSNC1=O	REAL300032261808	0	32	-1.0	-60.02	298.45	-2.28	-62.30
CC1=C([O-])N=C(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300032261859	1	35	-1.0	-59.93	330.42	-1.89	-61.82
O=C(N[C@H]1CCN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1)C1=NSNC1=O	REAL300032261921	1	42	-1.0	-71.23	372.41	3.00	-68.23
O=C(N[C@H]1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1)C1=NSNC1=O	REAL300032261940	1	42	-1.0	-75.50	366.10	3.75	-71.75
O=C(N[C@H]1CCN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1)C1=NSNC1=O	REAL300032261949	1	42	-1.0	-77.66	367.13	3.87	-73.79
O=C(N[C@H]1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=NSNC1=O	REAL300032262009	1	38	-1.0	-59.83	341.04	0.72	-59.11
O=C(N[C@H]1CCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=NSNC1=O	REAL300032262049	0	35	-1.0	-71.07	336.33	-1.34	-72.41
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=NSNC1=O	REAL300032262087	1	35	-1.0	-52.00	332.51	1.16	-50.84
CSC1=NC=C(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032262118	1	38	-1.0	-61.86	358.74	-0.96	-62.82
O=C(N[C@H]1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=NSNC1=O	REAL300032262128	0	36	-1.0	-56.38	323.66	-3.91	-60.29
CCN1[N-]C(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032262227	0	39	-1.0	-61.29	348.04	0.15	-61.14
O=C(CNC(=O)C1=NC=CC=C1[O-])N1CC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032262239	1	42	-1.0	-63.85	376.58	-0.71	-64.56
CN1[N-]C(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032262253	0	36	-1.0	-57.65	325.24	-0.69	-58.34
O=C(N[C@H]1CCN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1)C1=NSNC1=O	REAL300032262267	1	39	-1.0	-68.73	346.04	-0.97	-69.70
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032262272	0	36	-1.0	-59.72	342.76	-2.75	-62.47
CC1=C(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300032262274	1	38	-1.0	-65.18	354.44	-1.52	-66.70
CC1=C(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C2CC2)=N1	REAL300032262285	1	44	-1.0	-71.68	386.29	0.70	-70.98
O=C(N[C@H]1CCN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1)C1=NSNC1=O	REAL300032262352	1	41	-1.0	-65.51	367.04	1.10	-64.41
O=C(CC1=CC(=O)N[N-]1)N1CC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300032262480	1	36	-1.0	-61.38	327.31	-1.94	-63.32
O=C(N[C@H]1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300032262487	1	36	-1.0	-65.10	323.87	0.47	-64.63
O=C(N[C@H]1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300032262561	0	36	-1.0	-59.37	331.62	0.64	-58.73
O=C(N[C@H]1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300032262567	0	35	-1.0	-71.17	331.92	0.03	-71.14
CC1=C(CC(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300032262592	0	42	-1.0	-61.30	370.18	0.45	-60.85
O=C(CCC(=O)N1CC[C@H](NC(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C=C1	REAL300032262604	1	44	-1.0	-57.25	388.65	2.27	-54.98
CC1=CN=C(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300032262648	1	38	-1.0	-73.98	336.50	1.88	-72.10
O=C(N[C@H]1CCN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300032262667	0	37	-1.0	-59.61	353.28	-1.42	-61.03
O=C(N[C@H]1CCN(C(=O)C2=CC([O-])=CS2)C1)C1=NSNC1=O	REAL300032262693	0	33	-1.0	-69.86	310.10	-0.51	-70.37
O=C(N[C@H]1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=NSNC1=O	REAL300032262721	0	36	-1.0	-67.20	333.63	1.31	-65.89
O=C(N[C@H]1CCN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300032262729	0	36	-1.0	-66.52	343.44	2.01	-64.51
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300032264218	1	41	-1.0	-54.34	359.52	0.68	-53.66
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300032264524	0	41	-1.0	-47.60	364.78	-0.88	-48.48
O=C(CCCN1C(=O)[N-]NC1=O)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300032265074	0	42	-1.0	-65.83	371.44	-1.60	-67.43
CC(C)CN1[N-]C(CC(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032265270	0	48	-1.0	-72.14	408.34	2.48	-69.66
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300032265364	0	40	-1.0	-62.39	358.40	-4.25	-66.64
CC(=O)[N-]C1=NC(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)=CS1	REAL300032265365	1	38	-1.0	-53.11	352.79	-0.76	-53.87
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300032265579	1	41	-1.0	-65.02	364.14	-0.11	-65.13
COC1=C(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300032265724	1	39	-1.0	-61.75	347.76	-3.10	-64.85
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300032265875	0	34	-1.0	-62.00	314.07	-4.38	-66.38
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300032266016	0	36	-1.0	-64.07	328.25	-2.73	-66.80
CC1=C(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C(C)C)=N1	REAL300032266059	1	46	-1.0	-55.29	384.87	1.22	-54.07
O=C(CN1[N-]C=C2C1=NC=NC2=O)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300032266196	0	40	-1.0	-67.25	361.85	0.16	-67.09
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300032268016	0	33	-1.0	-56.63	302.51	-2.32	-58.95
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300032268021	0	38	-1.0	-57.50	336.21	-1.09	-58.59
CN1[N-]C(CC(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032268024	0	39	-1.0	-71.26	346.79	-0.06	-71.32
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=CN([O-])C1=O	REAL300032268075	0	36	-1.0	-65.58	322.92	1.90	-63.68
CSC1=NC=C(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032268101	1	38	-1.0	-53.87	349.82	-0.39	-54.26
CC1=C([O-])N=C(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)S1	REAL300032268129	1	35	-1.0	-61.17	330.13	-2.33	-63.50
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300032268153	1	35	-1.0	-53.46	332.66	0.99	-52.47
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N([O-])C=C1	REAL300032268181	0	36	-1.0	-76.57	325.63	1.75	-74.82
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300032268256	0	36	-1.0	-93.98	323.44	2.64	-91.34
O=C(C[N-]C(=O)C(F)(F)F)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300032268474	0	35	-1.0	-56.72	332.71	-2.44	-59.16
NC1=NC([O-])=C(CC(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)S1	REAL300032268475	0	37	-1.0	-72.93	343.93	-3.28	-76.21
O=C(CC1=NC([O-])=CS1)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300032268554	0	35	-1.0	-76.70	329.10	-2.41	-79.11
CCC1=NC=C(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032268586	1	40	-1.0	-53.35	348.57	0.10	-53.25
O=C(CN1N=CC(=O)[N-]C1=O)N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1	REAL300032268600	0	37	-1.0	-66.68	338.61	-3.85	-70.53
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=C(Cl)C(=O)[N-]S1	REAL300032268700	0	32	-1.0	-58.60	320.84	-1.10	-59.70
COCC1=NC=C(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032268840	0	41	-1.0	-54.43	361.50	-1.66	-56.09
COCC1=NC=C(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032268840	1	41	-1.0	-54.43	361.50	-1.66	-56.09
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(CC2CC2)NC1=O	REAL300032268855	0	44	-1.0	-53.24	379.50	1.69	-51.55
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(CC2CC2)[N-]C1=O	REAL300032268855	1	44	-1.0	-53.24	379.50	1.69	-51.55
CC1=CC(=O)C(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032268963	0	37	-1.0	-61.37	332.12	1.36	-60.01
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)N[N-]1	REAL300032268986	0	32	-1.0	-56.19	297.23	-3.61	-59.80
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300032269017	1	37	-1.0	-57.01	339.70	0.72	-56.29
CC1=NC2=NC=C(C(=O)N[C@@H]3CCN(C(=O)C4=NSNC4=O)C3)C(=O)N2[N-]1	REAL300032269053	0	40	-1.0	-52.38	355.57	2.85	-49.53
O=C(N[C@@H]1CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300032269180	0	35	-1.0	-70.41	337.88	-0.73	-71.14
COC1=NC(C(=O)N[C@@H]2CCN(C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300032269201	0	38	-1.0	-61.81	343.23	-4.31	-66.12
O=C(N[C@@H]1CCN(C(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300032269455	1	35	-1.0	-73.39	315.18	1.21	-72.18
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300032269586	1	41	-1.0	-63.59	368.40	-0.39	-63.98
CC(=O)[N-]C1=NC(C(=O)N2CC[C@@H](NC(=O)C3=NSNC3=O)C2)=CS1	REAL300032269604	1	38	-1.0	-50.13	352.67	-0.56	-50.69
O=C(N[C@@H]1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300032269645	0	34	-1.0	-60.89	313.98	-4.47	-65.36
COC1=C(C(=O)N2CC[C@@H](NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300032269715	1	39	-1.0	-58.92	348.80	-3.35	-62.27
O=C(CN1C(=O)[N-]NC1=O)N1CC[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300032269926	0	36	-1.0	-58.38	332.43	-3.04	-61.42
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CC(=O)[N-]C1=NC(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)=CS1	REAL300032279380	1	41	-1.0	-50.32	363.36	1.44	-48.88
CN(C(=O)CCN1C=C[N-]C(=O)C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032279538	1	44	-1.0	-63.31	377.47	1.49	-61.82
COC1=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300032279647	1	42	-1.0	-58.10	367.18	-2.95	-61.05
CN(C(=O)C1=NNC(=O)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032279761	0	37	-1.0	-60.69	324.85	-2.55	-63.24
CN(C(=O)CN1C(=O)[N-]NC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032279878	0	39	-1.0	-62.80	341.79	-1.16	-63.96
CCN1[N-]C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032281139	0	42	-1.0	-58.20	357.72	2.20	-56.00
CN(C(=O)CC1=CC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032281147	1	39	-1.0	-63.30	336.05	0.00	-63.30
CN(C(=O)C1=CC=CC(=S)N1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032281171	0	39	-1.0	-88.32	353.97	3.59	-84.73
CN(C(=O)CC1SC(=O)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032281185	0	39	-1.0	-54.13	349.86	-1.58	-55.71
CN(C(=O)C1=NN(C)C(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032281204	0	38	-1.0	-60.16	330.46	-0.22	-60.38
CN(C(=O)C1=C[N-]N=CC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032281319	0	37	-1.0	-51.98	327.21	1.05	-50.93
CN(C(=O)C1=CC=C2N=NN([O-])C2=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032281359	0	41	-1.0	-72.74	351.73	1.47	-71.27
CN(C(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032281457	0	36	-1.0	-55.22	313.17	-0.43	-55.65
CN(C(=O)C(=O)[PH](C)(C)[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032281462	0	41	-1.0	-52.26	346.85	1.15	-51.11
CN(C(=O)C1=CC=CN([O-])C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032281511	0	39	-1.0	-74.15	343.03	3.16	-70.99
CSC1=NC=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032281531	0	41	-1.0	-59.97	369.10	0.88	-59.09
CSC1=NC=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032281531	1	41	-1.0	-59.97	369.10	0.88	-59.09
CC1SC(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300032281556	0	38	-1.0	-59.16	340.18	0.36	-58.80
CC1=C([O-])N=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)S1	REAL300032281556	1	38	-1.0	-59.16	340.18	0.36	-58.80
CN(C(=O)C1=CC(=O)C=C(Cl)N1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032281577	0	38	-1.0	-51.51	343.25	3.16	-48.35
CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032281577	1	38	-1.0	-51.51	343.25	3.16	-48.35
CN(C(=O)C1=CC(=O)N([O-])C=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032281599	0	39	-1.0	-67.57	343.46	3.20	-64.37
CN(C(=O)C1=CC=CC(=O)N1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032281659	0	39	-1.0	-84.06	342.86	2.95	-81.11
CN(C(=O)CC1=C([O-])N=C(N)S1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032281830	0	40	-1.0	-77.02	357.24	-1.66	-78.68
CN(C(=O)CC1=NC([O-])=CS1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032281890	0	38	-1.0	-77.82	342.36	-0.78	-78.60
CCC1=NC=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032281915	0	43	-1.0	-59.22	367.80	1.36	-57.86
CCC1=NC=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032281915	1	43	-1.0	-59.22	367.80	1.36	-57.86
CN(C(=O)C1=C(Cl)C(=O)[N-]S1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032282004	0	35	-1.0	-57.74	329.10	0.17	-57.57
COCC1=NC=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032282111	0	44	-1.0	-59.72	380.73	-0.40	-60.12
COCC1=NC=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032282111	1	44	-1.0	-59.72	380.73	-0.40	-60.12
CC1=CC(=O)C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032282212	0	40	-1.0	-58.04	342.00	3.32	-54.72
CN(C(=O)C1=NC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032282231	0	35	-1.0	-53.44	307.96	-1.08	-54.52
CN(C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032282256	0	40	-1.0	-55.48	349.73	1.92	-53.56
CN(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032282256	1	40	-1.0	-55.48	349.73	1.92	-53.56
CN(C(=O)C1=CN=C(C=N[O-])S1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032282394	0	38	-1.0	-71.93	346.58	0.41	-71.52
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC=CC=C2O)C1	REAL300032282673	0	38	-1.0	-69.57	325.11	3.25	-66.32
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300032282673	1	38	-1.0	-69.57	325.11	3.25	-66.32
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CCN2C=CNC(=O)C2=O)C1	REAL300032282793	0	44	-1.0	-63.20	378.58	1.62	-61.58
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1	REAL300032282793	1	44	-1.0	-63.20	378.58	1.62	-61.58
CC(=O)NC1=NC(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)C2)=CS1	REAL300032282805	0	41	-1.0	-51.06	363.37	1.35	-49.71
CC(=O)[N-]C1=NC(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)C2)=CS1	REAL300032282805	1	41	-1.0	-51.06	363.37	1.35	-49.71
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300032282837	0	37	-1.0	-61.01	324.73	-2.51	-63.52
COC1=C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)C2)NC(=O)NC1=O	REAL300032282891	0	42	-1.0	-59.41	356.63	-1.23	-60.64
COC1=C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300032282891	1	42	-1.0	-59.41	356.63	-1.23	-60.64
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300032283060	0	39	-1.0	-62.40	342.38	-1.01	-63.41
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CCCN2C(=O)[N-]NC2=O)C1	REAL300032284050	0	45	-1.0	-62.43	385.14	0.21	-62.22
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300032284257	1	44	-1.0	-66.91	379.27	2.13	-64.78
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(F)=CC(F)=C2[O-])C1	REAL300032285986	0	39	-1.0	-67.02	343.63	3.57	-63.45
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300032286016	0	39	-1.0	-70.00	343.98	3.35	-66.65
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300032286051	0	35	-1.0	-54.15	308.24	-1.30	-55.45
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300032286056	1	39	-1.0	-66.23	352.92	3.26	-62.97
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300032286064	0	39	-1.0	-83.47	343.41	3.32	-80.15
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300032286101	1	39	-1.0	-58.72	349.81	2.85	-55.87
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1	REAL300032286219	0	39	-1.0	-65.05	337.25	-0.77	-65.82
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300032286289	0	39	-1.0	-56.66	343.50	2.99	-53.67
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300032286296	1	39	-1.0	-61.31	332.01	4.15	-57.16
CC1=CC=NC(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300032286388	1	41	-1.0	-68.63	345.44	3.94	-64.69
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300032286559	1	38	-1.0	-55.31	322.51	0.64	-54.67
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300032286572	0	39	-1.0	-87.89	354.28	3.76	-84.13
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C1	REAL300032286728	1	41	-1.0	-56.43	356.40	0.88	-55.55
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300032286733	0	38	-1.0	-51.55	343.41	2.07	-49.48
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300032286795	1	39	-1.0	-58.63	346.28	3.08	-55.55
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1	REAL300032286798	0	42	-1.0	-60.10	358.99	2.33	-57.77
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300032286810	0	38	-1.0	-74.61	343.23	-0.66	-75.27
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300032286832	0	39	-1.0	-61.65	343.43	2.88	-58.77
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300032286835	0	41	-1.0	-63.81	358.50	-0.03	-63.84
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300032286837	0	39	-1.0	-70.16	337.39	3.54	-66.62
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC(N(C)C(=O)C2=NSNC2=O)C1	REAL300032286885	0	42	-1.0	-64.41	363.27	3.42	-60.99
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1	REAL300032287998	1	45	-1.0	-66.40	382.77	5.02	-61.38
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1	REAL300032288018	1	45	-1.0	-75.21	376.04	5.83	-69.38
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1	REAL300032288026	1	45	-1.0	-78.69	377.13	5.77	-72.92
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300032288076	1	41	-1.0	-58.09	350.99	2.75	-55.34
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300032288113	0	38	-1.0	-69.13	346.30	0.68	-68.45
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300032288148	1	38	-1.0	-52.31	343.09	3.07	-49.24
CSC1=NC=C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032288174	1	41	-1.0	-66.91	369.50	1.05	-65.86
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300032288182	0	39	-1.0	-53.64	344.07	-1.57	-55.21
CCN1[N-]C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032288264	0	42	-1.0	-58.80	358.00	2.18	-56.62
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300032288286	0	39	-1.0	-57.97	336.19	1.25	-56.72
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300032288303	0	39	-1.0	-59.60	353.69	-0.72	-60.32
CC1=C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300032288305	1	41	-1.0	-64.47	365.77	0.60	-63.87
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1	REAL300032288376	1	44	-1.0	-68.81	377.01	3.13	-65.68
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300032288481	1	39	-1.0	-65.36	337.38	0.06	-65.30
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300032288487	1	39	-1.0	-59.99	333.70	2.50	-57.49
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300032288549	0	39	-1.0	-60.64	339.91	2.57	-58.07
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300032288555	0	38	-1.0	-61.59	339.99	2.44	-59.15
CC1=C(CC(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300032288575	0	45	-1.0	-69.00	380.25	2.46	-66.54
CC1=CN=C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300032288624	1	41	-1.0	-70.95	346.56	3.89	-67.06
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1	REAL300032288638	0	40	-1.0	-69.07	363.89	0.60	-68.47
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC([O-])=CS2)C1	REAL300032288658	0	36	-1.0	-66.74	320.06	1.53	-65.21
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300032288680	0	39	-1.0	-66.13	343.89	3.36	-62.77
CN(C(=O)C1=CC(=O)N(C)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032288915	0	39	-1.0	-57.45	335.99	1.26	-56.19
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032288927	0	39	-1.0	-59.12	351.88	-0.77	-59.89
CC1=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300032288928	1	41	-1.0	-64.47	363.58	0.61	-63.86
CCN(C(=O)C1=NNC(=O)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032290482	0	40	-1.0	-63.64	340.91	-1.46	-65.10
CCN(C(=O)CN1C(=O)[N-]NC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032290551	0	42	-1.0	-70.02	359.37	-0.10	-70.12
CCN(C(=O)C1=CN([O-])C(=O)C=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291045	0	42	-1.0	-72.18	359.95	4.10	-68.08
CCN(C(=O)C1=CC(=O)NC([O-])=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291140	0	42	-1.0	-62.98	342.75	-0.58	-63.56
CCN(C(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291151	1	38	-1.0	-54.99	324.74	1.35	-53.64
CCN(C(=O)C1=CC(=O)N(CC)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291299	0	45	-1.0	-60.41	374.53	3.33	-57.08
CCN(C(=O)CC1=CC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291306	1	42	-1.0	-65.52	354.64	0.92	-64.60
CCN(C(=O)C1=CC=CC(=S)N1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291321	0	42	-1.0	-75.78	372.33	4.58	-71.20
CCN(C(=O)CC1SC(=O)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291330	0	42	-1.0	-57.27	367.73	-0.56	-57.83
CCN(C(=O)C1=NN(C)C(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291343	0	41	-1.0	-64.30	347.18	0.88	-63.42
CCN(C(=O)C1=C[N-]N=CC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291422	0	40	-1.0	-58.41	343.62	2.02	-56.39
CCN(C(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291507	0	39	-1.0	-56.89	330.03	0.67	-56.22
CCN(C(=O)C(=O)[PH](C)(C)[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291511	0	44	-1.0	-60.25	364.76	2.08	-58.17
CCN(C(=O)C1=CC=CN([O-])C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291541	0	42	-1.0	-86.73	361.73	4.19	-82.54
CCN(C(=O)C1=NC(=O)C(C)S1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291566	0	41	-1.0	-60.00	357.17	1.75	-58.25
CCN(C(=O)C1=NC([O-])=C(C)S1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291566	1	41	-1.0	-60.00	357.17	1.75	-58.25
CCN(C(=O)C1=CC(=O)C=C(Cl)N1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291578	0	41	-1.0	-53.44	359.20	4.56	-48.88
CCN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291578	1	41	-1.0	-53.44	359.20	4.56	-48.88
CCN(C(=O)C1=CC(=O)N([O-])C=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291590	0	42	-1.0	-71.59	362.39	4.23	-67.36
CCN(C(=O)C1=CC=CC(=O)N1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291619	0	42	-1.0	-73.16	361.22	3.96	-69.20
CCN(C(=O)CC1=C([O-])N=C(N)S1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291723	0	43	-1.0	-72.28	375.25	-0.69	-72.97
CCN(C(=O)CC1=NC([O-])=CS1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291761	0	41	-1.0	-78.42	360.22	0.26	-78.16
CCC1=NC=C(C(=O)N(CC)C2CCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032291775	0	46	-1.0	-67.83	386.52	2.39	-65.44
CCC1=NC=C(C(=O)N(CC)C2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032291775	1	46	-1.0	-67.83	386.52	2.39	-65.44
CCN(C(=O)C1=N[N-]C(C)=CC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291960	0	43	-1.0	-60.03	358.07	4.41	-55.62
CCN(C(=O)C1=NC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032291973	0	38	-1.0	-55.32	325.01	0.28	-55.04
CCN(C(=O)C1=CN=C(C=N[O-])S1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032292061	0	41	-1.0	-73.44	361.44	1.19	-72.25
CCN(C(=O)C1=CC(=O)[N-]C(OC)=N1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032292073	0	44	-1.0	-62.35	361.82	-0.48	-62.83
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300032292325	1	41	-1.0	-73.94	341.25	4.35	-69.59
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300032292448	0	40	-1.0	-63.03	341.34	-1.48	-64.51
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300032292608	0	42	-1.0	-64.95	358.64	0.10	-64.85
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300032293927	1	42	-1.0	-78.79	362.49	5.38	-73.41
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300032293952	1	43	-1.0	-61.04	365.03	3.84	-57.20
CCC1=NC=C(C(=O)N2CCC(N(CC)C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032294035	1	46	-1.0	-71.62	384.55	2.57	-69.05
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300032294053	1	38	-1.0	-58.08	325.21	0.34	-57.74
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300032294120	0	41	-1.0	-57.97	363.74	0.27	-57.70
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300032294121	0	43	-1.0	-87.18	373.82	-0.45	-87.63
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300032294130	0	42	-1.0	-55.88	366.14	4.00	-51.88
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300032294145	1	42	-1.0	-59.13	353.97	3.68	-55.45
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300032294151	0	41	-1.0	-57.10	349.61	3.10	-54.00
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300032294158	1	43	-1.0	-56.92	364.40	3.89	-53.03
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300032294161	0	41	-1.0	-61.34	359.42	3.18	-58.16
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300032294177	0	43	-1.0	-70.21	368.98	-1.01	-71.22
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(C)=CC=C2[O-])C1	REAL300032294237	1	44	-1.0	-74.57	363.33	4.86	-69.71
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300032294239	1	44	-1.0	-66.17	369.59	0.08	-66.09
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300032294255	0	40	-1.0	-61.90	343.61	2.26	-59.64
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300032294264	0	42	-1.0	-72.45	353.82	4.51	-67.94
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300032294350	1	42	-1.0	-68.47	354.08	3.65	-64.82
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300032294448	0	39	-1.0	-58.66	329.59	0.64	-58.02
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300032294454	0	44	-1.0	-61.30	364.05	1.90	-59.40
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300032294541	0	42	-1.0	-72.12	360.80	4.40	-67.72
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NNC(=O)[N-]2)C1	REAL300032294565	0	38	-1.0	-61.34	324.75	-0.89	-62.23
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(O)C=CC=C2Cl)C1	REAL300032294568	0	42	-1.0	-64.22	369.83	4.26	-59.96
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300032294568	1	42	-1.0	-64.22	369.83	4.26	-59.96
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300032294572	0	42	-1.0	-89.35	359.35	4.38	-84.97
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300032294601	0	42	-1.0	-61.20	365.96	3.96	-57.24
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300032294601	1	42	-1.0	-61.20	365.96	3.96	-57.24
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300032294736	0	42	-1.0	-77.91	352.17	4.94	-72.97
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300032294736	1	42	-1.0	-77.91	352.17	4.94	-72.97
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC=CC(C)=C2O)C1	REAL300032294799	0	44	-1.0	-73.02	362.04	4.99	-68.03
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC=CC(C)=C2[O-])C1	REAL300032294799	1	44	-1.0	-73.02	362.04	4.99	-68.03
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=CC(O)=C2)C1	REAL300032294903	0	41	-1.0	-68.32	339.01	1.64	-66.68
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300032294903	1	41	-1.0	-68.32	339.01	1.64	-66.68
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300032294913	0	42	-1.0	-76.14	370.95	4.81	-71.33
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300032295020	0	41	-1.0	-54.50	359.55	3.17	-51.33
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300032295058	1	42	-1.0	-58.02	362.66	4.11	-53.91
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300032295069	0	41	-1.0	-78.81	360.18	0.33	-78.48
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300032295084	0	42	-1.0	-65.94	360.34	3.88	-62.06
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300032295086	0	44	-1.0	-64.59	374.75	1.09	-63.50
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300032295087	0	42	-1.0	-67.10	353.73	4.61	-62.49
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(C)C=CC(F)=C2[O-])C1	REAL300032295117	0	45	-1.0	-81.23	379.04	4.54	-76.69
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300032295179	0	42	-1.0	-56.46	367.17	-0.33	-56.79
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300032295204	0	42	-1.0	-66.21	355.11	3.62	-62.59
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300032295210	0	42	-1.0	-67.58	363.63	4.99	-62.59
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=N[N-]C(C)=CC2=O)C1	REAL300032295238	0	43	-1.0	-63.77	358.53	4.39	-59.38
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300032295263	0	42	-1.0	-74.42	359.84	4.18	-70.24
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300032295291	0	42	-1.0	-68.07	369.76	2.01	-66.06
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300032295337	0	41	-1.0	-65.00	347.58	0.76	-64.24
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300032295386	0	43	-1.0	-66.50	370.79	2.00	-64.50
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300032295386	1	43	-1.0	-66.50	370.79	2.00	-64.50
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300032295395	0	43	-1.0	-68.35	363.22	5.50	-62.85
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300032295478	0	42	-1.0	-61.95	365.04	1.80	-60.15
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300032295529	0	42	-1.0	-70.89	350.47	3.51	-67.38
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300032295529	1	42	-1.0	-70.89	350.47	3.51	-67.38
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(Cl)C=C2O)C1	REAL300032295547	0	42	-1.0	-67.10	364.05	5.06	-62.04
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300032295547	1	42	-1.0	-67.10	364.05	5.06	-62.04
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300032295614	0	40	-1.0	-58.01	342.88	-1.90	-59.91
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300032295614	1	40	-1.0	-54.14	343.74	-1.19	-55.33
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300032295668	1	42	-1.0	-72.26	357.49	0.93	-71.33
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300032295701	0	42	-1.0	-75.50	355.08	3.59	-71.91
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)[N-]C(OC)=N2)C1	REAL300032295743	0	44	-1.0	-62.77	368.84	-0.91	-63.68
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300032295752	0	41	-1.0	-69.65	357.46	4.87	-64.78
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300032295790	0	42	-1.0	-66.83	360.27	3.99	-62.84
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300032295799	0	41	-1.0	-67.41	342.23	2.70	-64.71
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300032295805	0	38	-1.0	-61.08	325.16	0.78	-60.30
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC([O-])=C(C)S2)C1	REAL300032295827	1	41	-1.0	-63.27	356.99	1.17	-62.10
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300032295919	1	44	-1.0	-63.34	367.47	3.81	-59.53
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300032295938	0	41	-1.0	-69.33	362.91	1.73	-67.60
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300032295959	1	41	-1.0	-54.40	359.31	4.19	-50.21
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300032295979	0	42	-1.0	-56.12	360.70	-0.52	-56.64
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N(CC)[N-]2)C1	REAL300032296036	0	45	-1.0	-62.39	374.90	3.18	-59.21
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300032296055	0	42	-1.0	-61.43	353.09	2.24	-59.19
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300032296065	0	42	-1.0	-63.95	369.44	0.36	-63.59
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300032296192	1	42	-1.0	-66.82	354.33	1.04	-65.78
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300032296197	1	42	-1.0	-63.36	350.43	3.55	-59.81
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300032296243	0	42	-1.0	-62.08	356.44	3.62	-58.46
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300032296248	0	41	-1.0	-79.35	357.12	3.46	-75.89
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=C(C)[N-]N(C)C2=O)C1	REAL300032296263	0	48	-1.0	-66.55	397.20	3.44	-63.11
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC=C(C)C=C2[O-])C1	REAL300032296299	1	44	-1.0	-75.12	363.17	4.92	-70.20
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC([O-])=CS2)C1	REAL300032296320	0	39	-1.0	-68.97	336.22	2.62	-66.35
CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300032296336	0	42	-1.0	-72.46	360.59	4.40	-68.06
CCN(C(=O)C1=CC(=O)N(C)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032296474	0	42	-1.0	-59.73	352.85	2.40	-57.33
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032296481	0	42	-1.0	-60.88	370.96	0.15	-60.73
CCN(C(=O)C1=NC(=O)[N-]C(=O)N1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032296605	0	40	-1.0	-58.48	342.49	-1.10	-59.58
CCN(C(=O)C1=NC(=O)NC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032296605	1	40	-1.0	-52.54	343.01	-0.33	-52.87
CCN(C(=O)CN1[N-]C(=O)C=CC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032296725	0	44	-1.0	-63.14	375.70	0.83	-62.31
CCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032296731	0	38	-1.0	-61.74	324.73	0.60	-61.14
CCN(C(=O)C1=CN([O-])C(=O)NC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032296740	0	42	-1.0	-61.43	366.85	1.59	-59.84
O=C(NC1CCCCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300032297933	0	40	-1.0	-59.63	341.80	-2.43	-62.06
O=C(NC1CCCCN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)C=C1	REAL300032298608	0	42	-1.0	-72.11	352.87	3.74	-68.37
O=C(NC1CCCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)NC([O-])=C1	REAL300032298722	0	42	-1.0	-54.48	353.29	-1.19	-55.67
O=C(NC1CCCCN(C(=O)C2=NSNC2=O)C1)C1=COC(=O)[N-]1	REAL300032298733	1	38	-1.0	-56.26	325.41	-1.34	-57.60
O=C([N-]C1CCCCN(C(=O)C2=NSNC2=O)C1)C(F)(F)C(F)(F)F	REAL300032298823	0	37	-1.0	-52.22	329.80	1.83	-50.39
CCN1[N-]C(C(=O)NC2CCCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032298903	0	45	-1.0	-58.69	375.75	2.20	-56.49
O=C(CC1SC(=O)[N-]C1=O)NC1CCCCN(C(=O)C2=NSNC2=O)C1	REAL300032298938	0	42	-1.0	-53.75	364.02	-1.20	-54.95
CN1N=C(C(=O)NC2CCCCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300032298954	0	41	-1.0	-61.24	348.46	-0.23	-61.47
O=C(NC1CCCCN(C(=O)C2=NSNC2=O)C1)C1=C[N-]N=CC1=O	REAL300032299043	0	40	-1.0	-34.83	327.61	1.97	-32.86
O=C(NC1CCCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300032299142	0	39	-1.0	-55.53	330.24	-0.36	-55.89
C[PH](C)([O-])C(=O)C(=O)NC1CCCCN(C(=O)C2=NSNC2=O)C1	REAL300032299147	0	44	-1.0	-54.10	369.77	0.87	-53.23
O=C(CCC1=NC(=O)NN1)NC1CCCCN(C(=O)C2=NSNC2=O)C1	REAL300032299174	0	44	-1.0	-65.75	367.13	-0.78	-66.53
O=C(CCC1=NC(=O)[N-]N1)NC1CCCCN(C(=O)C2=NSNC2=O)C1	REAL300032299174	1	44	-1.0	-65.75	367.13	-0.78	-66.53
O=C(NC1CCCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CN([O-])C1=O	REAL300032299178	0	42	-1.0	-68.26	351.40	3.78	-64.48
CC1SC(C(=O)NC2CCCCN(C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300032299206	0	41	-1.0	-62.25	357.75	-0.32	-62.57
CC1=C([O-])N=C(C(=O)NC2CCCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300032299206	1	41	-1.0	-62.25	357.75	-0.32	-62.57
O=C(NC1CCCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)N1	REAL300032299220	0	41	-1.0	-52.01	361.36	2.85	-49.16
O=C(NC1CCCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300032299220	1	41	-1.0	-52.01	361.36	2.85	-49.16
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O=C(NC1CCCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300032299270	0	42	-1.0	-71.35	346.15	4.70	-66.65
NC1=NC([O-])=C(CC(=O)NC2CCCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300032299393	0	43	-1.0	-70.75	371.52	-1.31	-72.06
O=C(CC1=NC([O-])=CS1)NC1CCCCN(C(=O)C2=NSNC2=O)C1	REAL300032299438	0	41	-1.0	-72.50	356.70	-0.44	-72.94
CCC1=NC=C(C(=O)NC2CCCCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032299456	0	46	-1.0	-56.57	376.40	2.09	-54.48
CCC1=NC=C(C(=O)NC2CCCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032299456	1	46	-1.0	-56.57	376.40	2.09	-54.48
CC1=CC(=O)C(C(=O)NC2CCCCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032299667	0	43	-1.0	-59.03	358.96	3.42	-55.61
O=C(NC1CCCCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]1	REAL300032299682	0	38	-1.0	-58.36	325.70	-1.90	-60.26
O=C(NC1CCCCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300032299793	0	41	-1.0	-68.00	365.61	1.24	-66.76
O=C(NC1CCCCN(C(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300032300062	1	41	-1.0	-66.58	342.01	3.52	-63.06
O=C(NC1CCCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300032300185	0	40	-1.0	-73.40	344.89	-2.75	-76.15
O=C(CN1C(=O)[N-]NC1=O)N1CCCCC(NC(=O)C2=NSNC2=O)C1	REAL300032300345	0	42	-1.0	-76.36	361.41	-1.34	-77.70
O=C(NC1CCCCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=NSNC1=O	REAL300032301664	1	42	-1.0	-79.71	370.76	3.20	-76.51
N#CC1=CC([O-])=CC(C(=O)N2CCCCC(NC(=O)C3=NSNC3=O)C2)=C1	REAL300032301689	1	43	-1.0	-49.84	368.22	2.60	-47.24
CCC1=NC=C(C(=O)N2CCCCC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032301772	1	46	-1.0	-52.95	378.27	1.19	-51.76
O=C(NC1CCCCN(C(=O)C2=COC(=O)[N-]2)C1)C1=NSNC1=O	REAL300032301790	1	38	-1.0	-51.18	325.31	0.12	-51.06
O=C(C[N-]C(=O)C(F)(F)F)N1CCCCC(NC(=O)C2=NSNC2=O)C1	REAL300032301857	0	41	-1.0	-66.46	365.90	-1.05	-67.51
NC1=NC([O-])=C(CC(=O)N2CCCCC(NC(=O)C3=NSNC3=O)C2)S1	REAL300032301858	0	43	-1.0	-73.26	374.95	-1.82	-75.08
O=C(NC1CCCCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=NSNC1=O	REAL300032301867	0	42	-1.0	-51.43	363.74	2.44	-48.99
O=C(NC1CCCCN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=NSNC1=O	REAL300032301882	1	42	-1.0	-57.32	353.95	2.27	-55.05
O=C(NC1CCCCN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=NSNC1=O	REAL300032301888	0	41	-1.0	-52.73	350.41	1.77	-50.96
N#CC1=CC=C(C(=O)N2CCCCC(NC(=O)C3=NSNC3=O)C2)C=C1[O-]	REAL300032301895	1	43	-1.0	-60.91	372.37	2.74	-58.17
O=C(NC1CCCCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=NSNC1=O	REAL300032301898	0	41	-1.0	-71.29	360.89	1.63	-69.66
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCCC(NC(=O)C2=NSNC2=O)C1	REAL300032301914	0	43	-1.0	-80.78	371.76	-2.46	-83.24
CC1=CC=C([O-])C(C(=O)N2CCCCC(NC(=O)C3=NSNC3=O)C2)=N1	REAL300032301974	1	44	-1.0	-67.38	363.62	4.09	-63.29
O=C(NC1CCCCN(C(=O)C2=C[N-]N=CC2=O)C1)C1=NSNC1=O	REAL300032301992	0	40	-1.0	-50.60	342.62	0.80	-49.80
O=C(NC1CCCCN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=NSNC1=O	REAL300032302001	0	42	-1.0	-66.59	359.28	2.56	-64.03
O=C(NC1CCCCN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=NSNC1=O	REAL300032302087	1	42	-1.0	-63.98	359.48	2.48	-61.50
O=C(NC1CCCCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300032302185	0	39	-1.0	-52.77	330.20	-0.45	-53.22
C[PH](C)([O-])C(=O)C(=O)N1CCCCC(NC(=O)C2=NSNC2=O)C1	REAL300032302191	0	44	-1.0	-65.27	357.87	0.98	-64.29
O=C(NC1CCCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=NSNC1=O	REAL300032302278	0	42	-1.0	-66.62	359.97	2.97	-63.65
O=C(NC1CCCCN(C(=O)C2=NC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300032302302	0	38	-1.0	-51.02	325.09	-0.81	-51.83
O=C(NC1CCCCN(C(=O)C2=C(O)C=CC=C2Cl)C1)C1=NSNC1=O	REAL300032302305	0	42	-1.0	-55.81	366.38	3.05	-52.76
O=C(NC1CCCCN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=NSNC1=O	REAL300032302305	1	42	-1.0	-55.81	366.38	3.05	-52.76
O=C(NC1CCCCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=NSNC1=O	REAL300032302309	0	42	-1.0	-73.47	359.50	2.93	-70.54
O=C(NC1CCCCN(C(=O)C2=C(F)C=CC(O)=C2F)C1)C1=NSNC1=O	REAL300032302338	0	42	-1.0	-55.81	363.59	2.40	-53.41
O=C(NC1CCCCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=NSNC1=O	REAL300032302338	1	42	-1.0	-55.81	363.59	2.40	-53.41
O=C(NC1CCCCN(C(=O)C2=CC(F)=CC=C2O)C1)C1=NSNC1=O	REAL300032302473	0	42	-1.0	-78.95	360.45	2.76	-76.19
O=C(NC1CCCCN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=NSNC1=O	REAL300032302473	1	42	-1.0	-78.95	360.45	2.76	-76.19
CC1=CC=NC(C(=O)N2CCCCC(NC(=O)C3=NSNC3=O)C2)=C1O	REAL300032302536	0	44	-1.0	-66.11	362.35	4.21	-61.90
CC1=CC=NC(C(=O)N2CCCCC(NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300032302536	1	44	-1.0	-66.11	362.35	4.21	-61.90
O=C(NC1CCCCN(C(=O)C2=CN=CC(O)=C2)C1)C1=NSNC1=O	REAL300032302640	0	41	-1.0	-59.89	341.47	0.34	-59.55
O=C(NC1CCCCN(C(=O)C2=CN=CC([O-])=C2)C1)C1=NSNC1=O	REAL300032302640	1	41	-1.0	-59.89	341.47	0.34	-59.55
O=C(NC1CCCCN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=NSNC1=O	REAL300032302650	0	42	-1.0	-85.37	360.35	4.51	-80.86
O=C(NC1CCCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=NSNC1=O	REAL300032302757	0	41	-1.0	-58.20	363.64	1.90	-56.30
O=C(NC1CCCCN(C(=O)C2=CC=C(O)C=C2Cl)C1)C1=NSNC1=O	REAL300032302795	0	42	-1.0	-56.17	362.30	2.71	-53.46
O=C(NC1CCCCN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=NSNC1=O	REAL300032302795	1	42	-1.0	-56.17	362.30	2.71	-53.46
O=C(CC1=NC([O-])=CS1)N1CCCCC(NC(=O)C2=NSNC2=O)C1	REAL300032302806	0	41	-1.0	-88.95	362.25	-0.97	-89.92
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCCC(NC(=O)C2=NSNC2=O)C1	REAL300032302823	0	44	-1.0	-59.18	375.42	-0.33	-59.51
O=C(CC1SC(=O)[N-]C1=O)N1CCCCC(NC(=O)C2=NSNC2=O)C1	REAL300032302916	0	42	-1.0	-64.65	370.10	-1.69	-66.34
O=C(NC1CCCCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=NSNC1=O	REAL300032302941	0	42	-1.0	-66.59	354.71	2.50	-64.09
O=C(NC1CCCCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300032302947	0	42	-1.0	-61.53	369.09	3.04	-58.49
CC1=CC(=O)C(C(=O)N2CCCCC(NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032302975	0	43	-1.0	-56.80	358.84	3.36	-53.44
O=C(NC1CCCCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=NSNC1=O	REAL300032303000	0	42	-1.0	-85.47	349.27	3.56	-81.91
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CN1N=C(C(=O)N2CCCCC(NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300032303074	0	41	-1.0	-59.41	347.83	-0.32	-59.73
O=C(NC1CCCCN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C1=NSNC1=O	REAL300032303123	0	43	-1.0	-78.18	373.26	0.64	-77.54
O=C(NC1CCCCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=NSNC1=O	REAL300032303123	1	43	-1.0	-78.18	373.26	0.64	-77.54
N#CC1=CC=C([O-])C(C(=O)N2CCCCC(NC(=O)C3=NSNC3=O)C2)=C1	REAL300032303132	0	43	-1.0	-55.90	373.89	2.90	-53.00
O=C(NC1CCCCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=NSNC1=O	REAL300032303215	0	42	-1.0	-68.06	368.10	0.42	-67.64
O=C(NC1CCCCN(C(=O)C2=CC=C(F)C(O)=C2)C1)C1=NSNC1=O	REAL300032303266	0	42	-1.0	-65.14	358.38	2.34	-62.80
O=C(NC1CCCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=NSNC1=O	REAL300032303266	1	42	-1.0	-65.14	358.38	2.34	-62.80
O=C(NC1CCCCN(C(=O)C2=CC=C(Cl)C=C2O)C1)C1=NSNC1=O	REAL300032303284	0	42	-1.0	-66.34	364.18	2.82	-63.52
O=C(NC1CCCCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=NSNC1=O	REAL300032303284	1	42	-1.0	-66.34	364.18	2.82	-63.52
O=C(NC1CCCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300032303351	0	40	-1.0	-52.86	343.17	-2.35	-55.21
O=C(NC1CCCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300032303351	1	40	-1.0	-48.00	343.70	-1.56	-49.56
NC1=NC=C(C(=O)N2CCCCC(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032303405	1	42	-1.0	-58.59	357.17	-0.54	-59.13
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CCN1[N-]C(C(=O)NCCC2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032305891	0	48	-1.0	-63.10	402.15	2.22	-60.88
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CN1[N-]C(CC(=O)NCCC2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032306034	0	48	-1.0	-73.60	400.83	1.90	-71.70
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C[PH](C)([O-])C(=O)C(=O)N1CCCC(CCNC(=O)C2=NSNC2=O)C1	REAL300032307920	0	47	-1.0	-61.20	396.19	0.46	-60.74
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NC1=CC(=O)[N-]C(C(=O)N2CCCC(CCNC(=O)C3=NSNC3=O)C2)=N1	REAL300032308058	0	45	-1.0	-69.91	385.42	-1.66	-71.57
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CCN1[N-]C(C(=O)N2CCCC(CCNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032308833	0	48	-1.0	-64.07	401.88	2.27	-61.80
CN1[N-]C(C(=O)N2CCCC(CCNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032308849	0	45	-1.0	-62.95	379.68	1.31	-61.64
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CC1=CN=C(C(=O)N2CCCC(CCNC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300032308987	1	47	-1.0	-73.30	393.44	3.31	-69.99
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CN1[N-]C(C(=O)NCCC2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032309101	0	45	-1.0	-62.15	380.42	1.29	-60.86
O=C(NCCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)[N-]C(=O)N1	REAL300032309186	0	43	-1.0	-54.52	371.11	-2.76	-57.28
O=C(NCCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)NC(=O)[N-]1	REAL300032309186	1	43	-1.0	-54.52	371.11	-2.76	-57.28
O=C(NCCC1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300032309287	0	41	-1.0	-62.15	352.88	-0.07	-62.22
CCC(CNC(=O)C1=CN=C(C2CC2)NC1=O)NC(=O)C1=NSNC1=O	REAL300032309828	0	43	-1.0	-49.25	372.97	-0.23	-49.48
CCC(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032309828	1	43	-1.0	-49.25	372.97	-0.23	-49.48
CCC(CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)NC(=O)C1=NSNC1=O	REAL300032310134	0	43	-1.0	-42.47	379.21	-1.97	-44.44
CCC(CNC(=O)CCCN1C(=O)[N-]NC1=O)NC(=O)C1=NSNC1=O	REAL300032310684	0	44	-1.0	-54.46	385.19	-2.59	-57.05
CCC(CNC(=O)CC1=CC(=O)N(CC(C)C)[N-]1)NC(=O)C1=NSNC1=O	REAL300032310880	0	50	-1.0	-60.35	422.07	1.49	-58.86
CCC(CNC(=O)CCC1=NNC(=O)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032310974	0	42	-1.0	-53.54	372.85	-5.32	-58.86
CCC(CNC(=O)C1=CSC([N-]C(C)=O)=N1)NC(=O)C1=NSNC1=O	REAL300032310975	1	40	-1.0	-45.62	367.13	-1.83	-47.45
CCC(CNC(=O)CCN1C=C[N-]C(=O)C1=O)NC(=O)C1=NSNC1=O	REAL300032311189	1	43	-1.0	-60.76	378.59	-1.18	-61.94
CCC(CNC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)NC(=O)C1=NSNC1=O	REAL300032311334	1	41	-1.0	-53.19	362.32	-4.14	-57.33
CCC(CNC(=O)C1=NNC(=O)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032311485	0	36	-1.0	-52.47	328.55	-5.45	-57.92
CCC(CNC(=O)CN1C(=O)[N-]NC1=O)NC(=O)C1=NSNC1=O	REAL300032311626	0	38	-1.0	-53.46	342.67	-3.80	-57.26
CCC(CNC(=O)C1=C(C)N=C(C(C)C)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032311669	1	48	-1.0	-49.34	399.10	0.16	-49.18
CCC(CNC(=O)CN1[N-]C=C2C1=NC=NC2=O)NC(=O)C1=NSNC1=O	REAL300032311806	0	42	-1.0	-56.90	376.22	-0.90	-57.80
CCC(CNC(=O)C[N-]C(=O)C(F)(F)F)NC(=O)C1=NSNC1=O	REAL300032314089	0	37	-1.0	-47.40	347.08	-3.50	-50.90
CCC(CNC(=O)CC1=C([O-])N=C(N)S1)NC(=O)C1=NSNC1=O	REAL300032314090	0	39	-1.0	-67.08	358.32	-4.33	-71.41
CCC(CNC(=O)CC1=NC([O-])=CS1)NC(=O)C1=NSNC1=O	REAL300032314169	0	37	-1.0	-66.37	343.51	-3.47	-69.84
CCC1=NC=C(C(=O)NCC(CC)NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032314201	1	42	-1.0	-47.70	362.13	-0.88	-48.58
CCC(CNC(=O)CN1N=CC(=O)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032314215	0	39	-1.0	-56.43	353.01	-4.90	-61.33
CCC(CNC(=O)C1=C(Cl)C(=O)[N-]S1)NC(=O)C1=NSNC1=O	REAL300032314315	0	34	-1.0	-49.42	334.55	-2.09	-51.51
CCC(CNC(=O)C1=CN=C(COC)NC1=O)NC(=O)C1=NSNC1=O	REAL300032314455	0	43	-1.0	-48.65	375.06	-2.62	-51.27
CCC(CNC(=O)C1=CN=C(COC)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032314455	1	43	-1.0	-48.65	375.06	-2.62	-51.27
CCC(CNC(=O)C1=CN=C(CC2CC2)NC1=O)NC(=O)C1=NSNC1=O	REAL300032314470	0	46	-1.0	-47.71	393.04	0.73	-46.98
CCC(CNC(=O)C1=CN=C(CC2CC2)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032314470	1	46	-1.0	-47.71	393.04	0.73	-46.98
CCC(CNC(=O)C1=N[N-]C(C)=CC1=O)NC(=O)C1=NSNC1=O	REAL300032314578	0	39	-1.0	-50.82	345.71	0.41	-50.41
CCC(CNC(=O)C1=NNC(=O)[N-]1)NC(=O)C1=NSNC1=O	REAL300032314602	0	34	-1.0	-51.63	311.48	-4.84	-56.47
CCC(CNC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)NC(=O)C1=NSNC1=O	REAL300032314633	0	39	-1.0	-48.57	354.19	-0.37	-48.94
CCC(CNC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)NC(=O)C1=NSNC1=O	REAL300032314633	1	39	-1.0	-48.57	354.19	-0.37	-48.94
CCC(CNC(=O)C1=CN=C(C=N[O-])S1)NC(=O)C1=NSNC1=O	REAL300032314796	0	37	-1.0	-61.69	352.37	-1.81	-63.50
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=NC=CC=C1[O-]	REAL300032315074	1	37	-1.0	-57.91	329.05	0.03	-57.88
CCC(CNC(=O)C1=NSNC1=O)NC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300032315205	1	43	-1.0	-56.61	378.64	-1.10	-57.71
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CSC([N-]C(C)=O)=N1	REAL300032315223	1	40	-1.0	-44.42	367.12	-1.72	-46.14
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=NNC(=O)[N-]C1=O	REAL300032315264	0	36	-1.0	-52.35	328.56	-5.48	-57.83
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1	REAL300032315334	1	41	-1.0	-52.87	362.11	-4.16	-57.03
CCC(CNC(=O)C1=NSNC1=O)NC(=O)CN1C(=O)[N-]NC1=O	REAL300032315545	0	38	-1.0	-52.55	342.68	-3.70	-56.25
CCC(CNC(=O)C1=NSNC1=O)NC(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300032315615	0	42	-1.0	-57.17	376.22	-0.82	-57.99
CCC(CNC(=O)C1=NSNC1=O)NC(=O)CCCN1C(=O)[N-]NC1=O	REAL300032316812	0	44	-1.0	-53.83	385.21	-2.51	-56.34
CCC(CNC(=O)C1=NSNC1=O)NC(=O)CC1=CC(=O)N(CC(C)C)[N-]1	REAL300032317023	0	50	-1.0	-60.43	422.09	1.58	-58.85
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300032317083	1	43	-1.0	-47.02	373.63	-0.21	-47.23
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	REAL300032317336	0	43	-1.0	-39.16	379.27	-1.87	-41.03
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=C(C)N=C(C(C)C)[N-]C1=O	REAL300032317891	1	48	-1.0	-47.66	399.64	0.26	-47.40
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CN=CC([O-])=C1	REAL300032320066	1	37	-1.0	-54.03	329.01	-1.56	-55.59
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=CC(=S)N1[O-]	REAL300032320082	0	38	-1.0	-81.04	348.19	2.69	-78.35
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300032320257	1	46	-1.0	-46.89	389.39	0.36	-46.53
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300032320276	1	40	-1.0	-49.88	362.69	-1.28	-51.16
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=C([O-])C(Cl)=N1	REAL300032320281	0	37	-1.0	-45.37	347.36	-1.01	-46.38
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N	REAL300032320359	0	42	-1.0	-53.47	370.29	0.29	-53.18
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=C([O-])C=C1Cl	REAL300032320366	1	38	-1.0	-51.00	346.46	0.77	-50.23
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300032320369	0	41	-1.0	-53.96	365.53	0.03	-53.93
CCC(CNC(=O)C1=NSNC1=O)NC(=O)CC1=NC([O-])=CS1	REAL300032320384	0	37	-1.0	-69.18	343.52	-3.39	-72.57
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=C([O-])C=CC=C1F	REAL300032320412	1	38	-1.0	-54.02	343.71	0.18	-53.84
CCC(CNC(=O)C1=NSNC1=O)NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300032320416	0	40	-1.0	-53.92	358.80	-2.73	-56.65
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=C(F)C=C1[O-]	REAL300032320421	0	38	-1.0	-57.98	338.21	1.81	-56.17
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=C(C)C=CC(F)=C1[O-]	REAL300032320482	0	41	-1.0	-53.76	358.61	0.60	-53.16
CCC(CNC(=O)C1=NSNC1=O)NC(=O)CC1SC(=O)[N-]C1=O	REAL300032320597	0	38	-1.0	-47.19	350.79	-4.15	-51.34
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=C([O-])C(F)=C1F	REAL300032320631	0	38	-1.0	-54.38	344.59	0.40	-53.98
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300032320635	1	39	-1.0	-38.77	353.20	-0.96	-39.73
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=CC(Cl)=C1[O-]	REAL300032320642	0	38	-1.0	-57.93	347.85	2.27	-55.66
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=N[N-]C(C)=CC1=O	REAL300032320686	0	39	-1.0	-49.95	345.72	0.38	-49.57
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300032320692	0	43	-1.0	-60.68	375.49	0.24	-60.44
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=CC(=O)N1[O-]	REAL300032320731	0	38	-1.0	-77.16	337.08	1.65	-75.51
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=C(C#N)[N-]C1=O	REAL300032320781	0	38	-1.0	-41.54	346.68	-1.23	-42.77
CCC(CNC(=O)C1=NSNC1=O)NC(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300032320782	0	40	-1.0	-54.90	363.90	-7.25	-62.15
CCC(CNC(=O)C1=NSNC1=O)NC(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300032320782	1	40	-1.0	-48.32	363.84	-7.20	-55.52
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300032320814	0	40	-1.0	-45.28	360.67	1.43	-43.85
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=NN(C)C(=O)[N-]1	REAL300032320864	0	37	-1.0	-53.66	334.25	-3.09	-56.75
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300032320911	0	40	-1.0	-49.27	361.70	-1.91	-51.18
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C(=O)C1=CC=C([O-])C=C1	REAL300032321983	1	40	-1.0	-52.17	354.32	0.10	-52.07
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CN=C(C=N[O-])S1	REAL300032322023	0	37	-1.0	-61.69	352.37	-1.70	-63.39
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300032322061	1	37	-1.0	-44.62	347.15	-0.02	-44.64
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CN=C(SC)[N-]C1=O	REAL300032322092	1	40	-1.0	-46.58	363.79	-1.26	-47.84
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)NC([O-])=C1	REAL300032322102	0	38	-1.0	-47.34	340.10	-4.13	-51.47
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)N(CC)[N-]1	REAL300032322201	0	41	-1.0	-50.77	361.54	-0.65	-51.42
CCC(CNC(=O)C1=NSNC1=O)NC(=O)CNC(=O)C1=NC=CC=C1[O-]	REAL300032322213	1	44	-1.0	-61.55	388.03	-1.36	-62.91
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300032322227	0	38	-1.0	-50.21	339.82	-1.58	-51.79
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300032322241	1	41	-1.0	-65.36	362.52	-1.31	-66.67
CCC(CNC(=O)C1=NSNC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300032322246	0	38	-1.0	-53.37	353.99	-3.48	-56.85
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=C(C)NC(=O)[N-]C1=S	REAL300032322248	1	40	-1.0	-62.67	362.46	-2.17	-64.84
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=C(C)N=C(C2CC2)[N-]C1=O	REAL300032322259	1	46	-1.0	-47.05	389.38	0.49	-46.56
CCC(CNC(=O)C1=NSNC1=O)NC(=O)CC1=CC(=O)N[N-]1	REAL300032322454	1	38	-1.0	-56.98	337.67	-2.67	-59.65
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300032322461	1	38	-1.0	-52.77	340.16	0.32	-52.45
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300032322535	0	38	-1.0	-53.61	346.41	0.40	-53.21
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=NC(Cl)=C1[O-]	REAL300032322541	0	37	-1.0	-56.16	343.28	0.37	-55.79
CCC(CNC(=O)C1=NSNC1=O)NC(=O)CC1=C(C)[N-]N(C)C1=O	REAL300032322566	0	44	-1.0	-55.34	380.49	-0.26	-55.60
CCC(CNC(=O)C1=NSNC1=O)NC(=O)CCC(=O)C1=CC=C([O-])C=C1	REAL300032322578	1	46	-1.0	-55.71	400.11	1.55	-54.16
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=NC=C(C)C=C1[O-]	REAL300032322622	1	40	-1.0	-59.26	350.50	0.66	-58.60
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=C(O)C=CC(Cl)=C1[O-]	REAL300032322641	0	39	-1.0	-55.29	364.17	-2.10	-57.39
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC([O-])=CS1	REAL300032322667	0	35	-1.0	-57.48	326.22	-0.83	-58.31
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CN([O-])C(=O)C=C1	REAL300032322695	0	38	-1.0	-65.34	339.63	0.79	-64.55
CCC(CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300032322703	0	38	-1.0	-51.59	354.24	2.33	-49.26
O=C(NCC1(NC(=O)C2=NNC(=O)[N-]C2=O)CCCC1)C1=NSNC1=O	REAL300032324698	0	40	-1.0	-61.86	352.32	-4.40	-66.26
O=C(CN1C(=O)[N-]NC1=O)NC1(CNC(=O)C2=NSNC2=O)CCCC1	REAL300032324767	0	42	-1.0	-64.72	366.44	-2.62	-67.34
O=C(NCC1(NC(=O)C2=CN([O-])C(=O)C=C2)CCCC1)C1=NSNC1=O	REAL300032325261	0	42	-1.0	-73.87	362.70	1.86	-72.01
O=C(NCC1(NC(=O)C2=CC(=O)NC([O-])=C2)CCCC1)C1=NSNC1=O	REAL300032325356	0	42	-1.0	-52.49	363.17	-3.02	-55.51
O=C(NCC1(NC(=O)C2=COC(=O)[N-]2)CCCC1)C1=NSNC1=O	REAL300032325367	1	38	-1.0	-50.63	335.22	-3.19	-53.82
CCN1[N-]C(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)=CC1=O	REAL300032325515	0	45	-1.0	-57.46	384.60	0.44	-57.02
O=C(CC1=CC(=O)N[N-]1)NC1(CNC(=O)C2=NSNC2=O)CCCC1	REAL300032325522	1	42	-1.0	-66.74	360.72	-1.58	-68.32
O=C(NCC1(NC(=O)C2=CC=CC(=S)N2[O-])CCCC1)C1=NSNC1=O	REAL300032325537	0	42	-1.0	-98.16	371.97	3.78	-94.38
O=C(CC1SC(=O)[N-]C1=O)NC1(CNC(=O)C2=NSNC2=O)CCCC1	REAL300032325546	0	42	-1.0	-55.12	373.84	-3.07	-58.19
CN1N=C(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)[N-]C1=O	REAL300032325559	0	41	-1.0	-60.72	357.38	-2.01	-62.73
O=C(NCC1(NC(=O)C2=C[N-]N=CC2=O)CCCC1)C1=NSNC1=O	REAL300032325638	0	40	-1.0	-44.36	344.27	-0.07	-44.43
O=C(NCC1(NC(=O)C2=CC(=O)N[N-]2)CCCC1)C1=NSNC1=O	REAL300032325723	0	39	-1.0	-53.74	340.06	-2.22	-55.96
C[PH](C)([O-])C(=O)C(=O)NC1(CNC(=O)C2=NSNC2=O)CCCC1	REAL300032325727	0	44	-1.0	-54.39	378.57	-0.89	-55.28
O=C(NCC1(NC(=O)C2=CC=CN([O-])C2=O)CCCC1)C1=NSNC1=O	REAL300032325757	0	42	-1.0	-57.91	360.25	1.98	-55.93
CC1SC(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)=NC1=O	REAL300032325782	0	41	-1.0	-55.61	366.82	-2.10	-57.71
CC1=C([O-])N=C(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)S1	REAL300032325782	1	41	-1.0	-55.61	366.82	-2.10	-57.71
O=C(NCC1(NC(=O)C2=CC(=O)C=C(Cl)N2)CCCC1)C1=NSNC1=O	REAL300032325794	0	41	-1.0	-51.86	370.92	1.07	-50.79
O=C(NCC1(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCCC1)C1=NSNC1=O	REAL300032325794	1	41	-1.0	-51.86	370.92	1.07	-50.79
O=C(NCC1(NC(=O)C2=CC(=O)N([O-])C=C2)CCCC1)C1=NSNC1=O	REAL300032325806	0	42	-1.0	-73.57	363.08	1.87	-71.70
O=C(NCC1(NC(=O)C2=CC=CC(=O)N2[O-])CCCC1)C1=NSNC1=O	REAL300032325835	0	42	-1.0	-93.69	360.85	2.73	-90.96
NC1=NC([O-])=C(CC(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)S1	REAL300032325939	0	43	-1.0	-73.96	381.39	-3.16	-77.12
O=C(CC1=NC([O-])=CS1)NC1(CNC(=O)C2=NSNC2=O)CCCC1	REAL300032325977	0	41	-1.0	-80.89	367.28	-2.30	-83.19
CCC1=NC=C(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)C(=O)[N-]1	REAL300032325991	1	46	-1.0	-48.57	385.14	0.28	-48.29
O=C(CN1N=CC(=O)[N-]C1=O)NC1(CNC(=O)C2=NSNC2=O)CCCC1	REAL300032326000	0	43	-1.0	-67.58	376.07	-3.72	-71.30
CC1=CC(=O)C(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)=N[N-]1	REAL300032326176	0	43	-1.0	-59.40	369.52	1.47	-57.93
O=C(NCC1(NC(=O)C2=NC(=O)N[N-]2)CCCC1)C1=NSNC1=O	REAL300032326189	0	38	-1.0	-51.38	334.65	-3.52	-54.90
O=C(NCC1(NC(=O)C2=CN=C(C=N[O-])S2)CCCC1)C1=NSNC1=O	REAL300032326277	0	41	-1.0	-66.78	375.43	-0.62	-67.40
COC1=NC(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)=CC(=O)[N-]1	REAL300032326289	0	44	-1.0	-60.61	381.49	-4.18	-64.79
O=C(NC1(CNC(=O)C2=NC=CC=C2[O-])CCCC1)C1=NSNC1=O	REAL300032326541	1	41	-1.0	-70.48	352.10	1.14	-69.34
O=C(NC1(CNC(=O)C2=NNC(=O)[N-]C2=O)CCCC1)C1=NSNC1=O	REAL300032326664	0	40	-1.0	-60.70	352.32	-4.37	-65.07
O=C(CN1C(=O)[N-]NC1=O)NCC1(NC(=O)C2=NSNC2=O)CCCC1	REAL300032326824	0	42	-1.0	-62.63	365.72	-2.71	-65.34
O=C(NC1(CNC(=O)C2=CC(Cl)=CC=C2[O-])CCCC1)C1=NSNC1=O	REAL300032328143	1	42	-1.0	-67.72	371.74	3.30	-64.42
N#CC1=CC([O-])=CC(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)=C1	REAL300032328168	1	43	-1.0	-48.63	377.89	1.58	-47.05
CCC1=NC=C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)C(=O)[N-]1	REAL300032328251	1	46	-1.0	-50.39	385.18	0.20	-50.19
O=C(NCC1(NC(=O)C2=NSNC2=O)CCCC1)C1=COC(=O)[N-]1	REAL300032328269	1	38	-1.0	-51.24	335.94	-3.30	-54.54
O=C(C[N-]C(=O)C(F)(F)F)NCC1(NC(=O)C2=NSNC2=O)CCCC1	REAL300032328336	0	41	-1.0	-54.61	370.18	-2.41	-57.02
NC1=NC([O-])=C(CC(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)S1	REAL300032328337	0	43	-1.0	-77.86	381.38	-3.27	-81.13
O=C(NC1(CNC(=O)C2=C(F)C=C([O-])C=C2F)CCCC1)C1=NSNC1=O	REAL300032328346	0	42	-1.0	-52.13	373.31	1.17	-50.96
O=C(NC1(CNC(=O)C2=CC=C([O-])C=C2F)CCCC1)C1=NSNC1=O	REAL300032328361	1	42	-1.0	-58.87	361.55	1.31	-57.56
O=C(NC1(CNC(=O)C2=CC([O-])=CC(=O)O2)CCCC1)C1=NSNC1=O	REAL300032328367	0	41	-1.0	-52.11	360.37	0.47	-51.64
N#CC1=CC=C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)C=C1[O-]	REAL300032328374	1	43	-1.0	-50.57	377.19	1.66	-48.91
O=C(NC1(CNC(=O)C2=CC(Cl)=NC=C2[O-])CCCC1)C1=NSNC1=O	REAL300032328377	0	41	-1.0	-63.80	367.74	1.44	-62.36
O=C(CN1N=CC(=O)[N-]C1=O)NCC1(NC(=O)C2=NSNC2=O)CCCC1	REAL300032328393	0	43	-1.0	-66.47	376.82	-3.83	-70.30
O=C(CCC1=NC(=O)[N-]N1)NCC1(NC(=O)C2=NSNC2=O)CCCC1	REAL300032328455	1	44	-1.0	-62.69	375.98	-2.63	-65.32
O=C(NC1(CNC(=O)C2=C[N-]N=CC2=O)CCCC1)C1=NSNC1=O	REAL300032328471	0	40	-1.0	-46.30	344.32	-0.26	-46.56
O=C(NC1(CNC(=O)C2=CC=CC(F)=C2[O-])CCCC1)C1=NSNC1=O	REAL300032328480	0	42	-1.0	-77.10	361.10	2.92	-74.18
O=C(NC1(CNC(=O)C2=CC=CC([O-])=C2F)CCCC1)C1=NSNC1=O	REAL300032328566	1	42	-1.0	-72.69	361.42	1.29	-71.40
O=C(NCC1(NC(=O)C2=NSNC2=O)CCCC1)C1=CC(=O)N[N-]1	REAL300032328664	0	39	-1.0	-53.90	340.05	-2.30	-56.20
C[PH](C)([O-])C(=O)C(=O)NCC1(NC(=O)C2=NSNC2=O)CCCC1	REAL300032328670	0	44	-1.0	-54.88	373.72	-0.99	-55.87
O=C(NC1(CNC(=O)C2=CC(=O)N([O-])C=C2)CCCC1)C1=NSNC1=O	REAL300032328757	0	42	-1.0	-71.66	363.06	1.78	-69.88
O=C(NCC1(NC(=O)C2=NSNC2=O)CCCC1)C1=NNC(=O)[N-]1	REAL300032328781	0	38	-1.0	-57.26	334.54	-3.77	-61.03
O=C(NC1(CNC(=O)C2=C(O)C=CC=C2Cl)CCCC1)C1=NSNC1=O	REAL300032328784	0	42	-1.0	-61.27	376.98	1.55	-59.72
O=C(NC1(CNC(=O)C2=C([O-])C=CC=C2Cl)CCCC1)C1=NSNC1=O	REAL300032328784	1	42	-1.0	-61.27	376.98	1.55	-59.72
O=C(NC1(CNC(=O)C2=CC=CN([O-])C2=O)CCCC1)C1=NSNC1=O	REAL300032328788	0	42	-1.0	-60.13	359.03	1.93	-58.20
O=C(NC1(CNC(=O)C2=C(F)C=CC(O)=C2F)CCCC1)C1=NSNC1=O	REAL300032328817	0	42	-1.0	-59.94	373.86	1.14	-58.80
O=C(NC1(CNC(=O)C2=C(F)C=CC([O-])=C2F)CCCC1)C1=NSNC1=O	REAL300032328817	1	42	-1.0	-59.94	373.86	1.14	-58.80
O=C(NC1(CNC(=O)C2=CC(F)=CC=C2O)CCCC1)C1=NSNC1=O	REAL300032328952	0	42	-1.0	-66.87	361.43	2.85	-64.02
O=C(NC1(CNC(=O)C2=CC(F)=CC=C2[O-])CCCC1)C1=NSNC1=O	REAL300032328952	1	42	-1.0	-66.87	361.43	2.85	-64.02
CC1=CC=NC(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)=C1[O-]	REAL300032329015	1	44	-1.0	-70.26	372.42	1.84	-68.42
O=C(NC1(CNC(=O)C2=CN=CC([O-])=C2)CCCC1)C1=NSNC1=O	REAL300032329119	1	41	-1.0	-60.97	352.06	-0.57	-61.54
O=C(NC1(CNC(=O)C2=CC=CC(=S)N2[O-])CCCC1)C1=NSNC1=O	REAL300032329129	0	42	-1.0	-95.28	371.33	3.78	-91.50
O=C(NC1(CNC(=O)C2=CC=C([O-])C(Cl)=N2)CCCC1)C1=NSNC1=O	REAL300032329236	0	41	-1.0	-49.05	370.41	-0.02	-49.07
O=C(NC1(CNC(=O)C2=CC=C([O-])C=C2Cl)CCCC1)C1=NSNC1=O	REAL300032329274	1	42	-1.0	-56.85	369.52	1.76	-55.09
O=C(CC1=NC([O-])=CS1)NCC1(NC(=O)C2=NSNC2=O)CCCC1	REAL300032329285	0	41	-1.0	-78.16	366.56	-2.37	-80.53
O=C(NC1(CNC(=O)C2=C([O-])C=CC=C2F)CCCC1)C1=NSNC1=O	REAL300032329300	1	42	-1.0	-66.62	367.49	1.17	-65.45
O=C(CN1[N-]C(=O)C=CC1=O)NCC1(NC(=O)C2=NSNC2=O)CCCC1	REAL300032329302	0	44	-1.0	-65.24	382.59	-1.73	-66.97
O=C(NC1(CNC(=O)C2=CC=C(F)C=C2[O-])CCCC1)C1=NSNC1=O	REAL300032329303	0	42	-1.0	-70.86	361.27	2.92	-67.94
CC1=CC=C(F)C([O-])=C1C(=O)NCC1(NC(=O)C2=NSNC2=O)CCCC1	REAL300032329333	0	45	-1.0	-64.37	386.22	1.73	-62.64
O=C(CC1SC(=O)[N-]C1=O)NCC1(NC(=O)C2=NSNC2=O)CCCC1	REAL300032329395	0	42	-1.0	-53.85	373.84	-3.15	-57.00
O=C(NC1(CNC(=O)C2=CC=C([O-])C(F)=C2F)CCCC1)C1=NSNC1=O	REAL300032329420	0	42	-1.0	-61.15	367.64	1.38	-59.77
O=C(NC1(CNC(=O)C2=CC=CC(Cl)=C2[O-])CCCC1)C1=NSNC1=O	REAL300032329426	0	42	-1.0	-71.51	370.90	3.39	-68.12
CC1=CC(=O)C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)=N[N-]1	REAL300032329454	0	43	-1.0	-60.01	369.48	1.49	-58.52
O=C(NC1(CNC(=O)C2=CC=CC(=O)N2[O-])CCCC1)C1=NSNC1=O	REAL300032329479	0	42	-1.0	-91.42	360.22	2.73	-88.69
N#CC1=CC=C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)C(=O)[N-]1	REAL300032329507	0	42	-1.0	-45.04	370.05	-0.30	-45.34
CN1N=C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)[N-]C1=O	REAL300032329553	0	41	-1.0	-61.18	358.01	-2.11	-63.29
O=C(NC1(CNC(=O)C2=C(F)C=CC(O)=C2O)CCCC1)C1=NSNC1=O	REAL300032329602	0	43	-1.0	-68.07	378.23	-0.76	-68.83
O=C(NC1(CNC(=O)C2=C(F)C=CC(O)=C2[O-])CCCC1)C1=NSNC1=O	REAL300032329602	1	43	-1.0	-68.07	378.23	-0.76	-68.83
N#CC1=CC=C([O-])C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)=C1	REAL300032329611	0	43	-1.0	-63.28	375.84	3.18	-60.10
O=C(NC1(CNC(=O)C2=CN([O-])C(=O)NC2=O)CCCC1)C1=NSNC1=O	REAL300032329694	0	42	-1.0	-53.97	365.54	-0.60	-54.57
O=C(NC1(CNC(=O)C2=CC=C(F)C(O)=C2)CCCC1)C1=NSNC1=O	REAL300032329745	0	42	-1.0	-54.09	363.26	1.26	-52.83
O=C(NC1(CNC(=O)C2=CC=C(F)C([O-])=C2)CCCC1)C1=NSNC1=O	REAL300032329745	1	42	-1.0	-54.09	363.26	1.26	-52.83
O=C(NC1(CNC(=O)C(F)(F)C(F)(F)F)CCCC1)C1=NSNC1=O	REAL300032329755	0	37	-1.0	-52.26	342.05	-0.01	-52.27
O=C([N-]CC1(NC(=O)C2=NSNC2=O)CCCC1)C(F)(F)C(F)(F)F	REAL300032329755	1	37	-1.0	-52.26	342.05	-0.01	-52.27
O=C(NC1(CNC(=O)C2=CC=C(Cl)C=C2O)CCCC1)C1=NSNC1=O	REAL300032329763	0	42	-1.0	-70.50	371.59	3.37	-67.13
O=C(NC1(CNC(=O)C2=CC=C(Cl)C=C2[O-])CCCC1)C1=NSNC1=O	REAL300032329763	1	42	-1.0	-70.50	371.59	3.37	-67.13
O=C(NC1(CNC(=O)C2=NC(=O)[N-]C(=O)N2)CCCC1)C1=NSNC1=O	REAL300032329830	0	40	-1.0	-52.04	353.17	-5.37	-57.41
O=C(NC1(CNC(=O)C2=NC(=O)NC(=O)[N-]2)CCCC1)C1=NSNC1=O	REAL300032329830	1	40	-1.0	-48.59	353.82	-4.60	-53.19
NC1=NC=C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)C(=O)[N-]1	REAL300032329884	1	42	-1.0	-51.15	358.49	-1.45	-52.60
O=C(NC1(CNC(=O)C2=CC=C(F)C([O-])=C2F)CCCC1)C1=NSNC1=O	REAL300032329917	0	42	-1.0	-72.07	367.60	1.38	-70.69
COC1=NC(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)=CC(=O)[N-]1	REAL300032329959	0	44	-1.0	-59.56	380.66	-4.38	-63.94
O=C(NC1(CNC(=O)C2=CC=C(Cl)C([O-])=C2)CCCC1)C1=NSNC1=O	REAL300032330006	0	42	-1.0	-50.81	373.06	1.76	-49.05
O=C(NC1(CNC(=O)C2=CC=NC=C2[O-])CCCC1)C1=NSNC1=O	REAL300032330015	1	41	-1.0	-71.50	350.87	1.02	-70.48
O=C(NCC1(NC(=O)C2=NSNC2=O)CCCC1)C1=CC(=O)[N-]O1	REAL300032330021	0	38	-1.0	-56.38	334.79	-1.82	-58.20
CC1=C([O-])N=C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)S1	REAL300032330043	1	41	-1.0	-55.43	367.31	-2.19	-57.62
O=C(NCC1(NC(=O)C2=NSNC2=O)CCCC1)C(=O)C1=CC=C([O-])C=C1	REAL300032330135	1	44	-1.0	-56.70	377.42	1.07	-55.63
O=C(NCC1(NC(=O)C2=NSNC2=O)CCCC1)C1=CN=C(C=N[O-])S1	REAL300032330154	0	41	-1.0	-65.45	375.43	-0.72	-66.17
O=C(NC1(CNC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCCC1)C1=NSNC1=O	REAL300032330175	1	41	-1.0	-51.37	370.91	0.97	-50.40
O=C(NC1(CNC(=O)C2=CC(=O)NC([O-])=C2)CCCC1)C1=NSNC1=O	REAL300032330195	0	42	-1.0	-51.47	363.15	-3.13	-54.60
CCN1[N-]C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)=CC1=O	REAL300032330252	0	45	-1.0	-57.85	384.60	0.36	-57.49
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=NSNC2=O)CCCC1	REAL300032330281	0	42	-1.0	-58.59	377.03	-2.47	-61.06
O=C(NC1(CNC(=O)C2=CC=NC(Cl)=C2[O-])CCCC1)C1=NSNC1=O	REAL300032330464	0	41	-1.0	-69.41	367.05	1.47	-67.94
CC1=CN=C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)C([O-])=C1	REAL300032330515	1	44	-1.0	-72.06	373.54	1.78	-70.28
O=C(NCC1(NC(=O)C2=NSNC2=O)CCCC1)C1=CC([O-])=CS1	REAL300032330536	0	39	-1.0	-64.16	349.28	0.17	-63.99
CN1[N-]C(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)=CC1=O	REAL300032330690	0	42	-1.0	-57.75	363.51	-0.50	-58.25
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=NSNC2=O)CCCC1	REAL300032330697	0	42	-1.0	-59.32	377.03	-2.35	-61.67
O=C(NCC1(NC(=O)C2=NC(=O)[N-]C(=O)N2)CCCC1)C1=NSNC1=O	REAL300032330821	0	40	-1.0	-53.12	353.18	-5.25	-58.37
O=C(NCC1(NC(=O)C2=NC(=O)NC(=O)[N-]2)CCCC1)C1=NSNC1=O	REAL300032330821	1	40	-1.0	-49.13	353.83	-4.50	-53.63
O=C(CN1[N-]C(=O)C=CC1=O)NC1(CNC(=O)C2=NSNC2=O)CCCC1	REAL300032330941	0	44	-1.0	-64.14	381.84	-1.62	-65.76
O=C(NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1)C1=NSNC1=O	REAL300032330947	0	38	-1.0	-57.38	334.80	-1.74	-59.12
O=C(NCC1(NC(=O)C2=CN([O-])C(=O)NC2=O)CCCC1)C1=NSNC1=O	REAL300032330956	0	42	-1.0	-53.64	365.51	-0.52	-54.16
CC(CNC(=O)C1=NSNC1=O)(NC(=O)C1=NNC(=O)[N-]C1=O)C1CC1	REAL300032332009	0	40	-1.0	-60.35	351.10	-4.28	-64.63
CC(CNC(=O)C1=NSNC1=O)(NC(=O)CN1C(=O)[N-]NC1=O)C1CC1	REAL300032332078	0	42	-1.0	-65.31	363.44	-2.46	-67.77
CC(CNC(=O)C1=NSNC1=O)(NC(=O)C1=CN([O-])C(=O)C=C1)C1CC1	REAL300032332572	0	42	-1.0	-73.38	362.18	2.00	-71.38
CC(CNC(=O)C1=NSNC1=O)(NC(=O)C1=CC(=O)NC([O-])=C1)C1CC1	REAL300032332667	0	42	-1.0	-52.54	362.65	-2.91	-55.45
CC(CNC(=O)C1=NSNC1=O)(NC(=O)C1=COC(=O)[N-]1)C1CC1	REAL300032332678	1	38	-1.0	-52.00	335.77	-3.12	-55.12
CCN1[N-]C(C(=O)NC(C)(CNC(=O)C2=NSNC2=O)C2CC2)=CC1=O	REAL300032332826	0	45	-1.0	-57.54	384.09	0.57	-56.97
CC(CNC(=O)C1=NSNC1=O)(NC(=O)CC1=CC(=O)N[N-]1)C1CC1	REAL300032332833	1	42	-1.0	-68.11	358.56	-1.46	-69.57
CC(CNC(=O)C1=NSNC1=O)(NC(=O)C1=CC=CC(=S)N1[O-])C1CC1	REAL300032332848	0	42	-1.0	-57.43	369.53	2.73	-54.70
CC(CNC(=O)C1=NSNC1=O)(NC(=O)CC1SC(=O)[N-]C1=O)C1CC1	REAL300032332857	0	42	-1.0	-55.61	373.33	-2.94	-58.55
CN1N=C(C(=O)NC(C)(CNC(=O)C2=NSNC2=O)C2CC2)[N-]C1=O	REAL300032332870	0	41	-1.0	-63.12	357.92	-1.94	-65.06
CC(CNC(=O)C1=NSNC1=O)(NC(=O)C1=C[N-]N=CC1=O)C1CC1	REAL300032332949	0	40	-1.0	-44.57	343.72	0.06	-44.51
CC1=C(CC(=O)NC(C)(CNC(=O)C2=NSNC2=O)C2CC2)C(=O)N(C)[N-]1	REAL300032332989	0	48	-1.0	-68.09	400.77	0.93	-67.16
CC(CNC(=O)C1=NSNC1=O)(NC(=O)C1=CC(=O)N[N-]1)C1CC1	REAL300032333034	0	39	-1.0	-53.90	339.54	-2.07	-55.97
CC(CNC(=O)C1=NSNC1=O)(NC(=O)C(=O)[PH](C)(C)[O-])C1CC1	REAL300032333038	0	44	-1.0	-54.37	374.48	-0.28	-54.65
CN1[N-]C(CC(=O)NC(C)(CNC(=O)C2=NSNC2=O)C2CC2)=CC1=O	REAL300032333041	0	45	-1.0	-69.95	381.27	0.30	-69.65
CC(CNC(=O)C1=NSNC1=O)(NC(=O)C1=CC=CN([O-])C1=O)C1CC1	REAL300032333068	0	42	-1.0	-57.97	359.62	2.19	-55.78
CC1=C([O-])N=C(C(=O)NC(C)(CNC(=O)C2=NSNC2=O)C2CC2)S1	REAL300032333093	1	41	-1.0	-56.12	366.08	-1.95	-58.07
CC(CNC(=O)C1=NSNC1=O)(NC(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CC1	REAL300032333105	1	41	-1.0	-50.98	370.42	1.53	-49.45
CC(CNC(=O)C1=NSNC1=O)(NC(=O)C1=CC(=O)N([O-])C=C1)C1CC1	REAL300032333117	0	42	-1.0	-73.15	362.56	1.99	-71.16
CC(CNC(=O)C1=NSNC1=O)(NC(=O)C1=CC=CC(=O)N1[O-])C1CC1	REAL300032333146	0	42	-1.0	-55.63	358.42	1.99	-53.64
CC(CNC(=O)C1=NSNC1=O)(NC(=O)C[N-]C(=O)C(F)(F)F)C1CC1	REAL300032333249	0	41	-1.0	-54.22	369.54	-2.17	-56.39
CC(CNC(=O)C1=NSNC1=O)(NC(=O)CC1=C([O-])N=C(N)S1)C1CC1	REAL300032333250	0	43	-1.0	-74.66	379.23	-3.04	-77.70
CC(CNC(=O)C1=NSNC1=O)(NC(=O)CC1=NC([O-])=CS1)C1CC1	REAL300032333288	0	41	-1.0	-79.02	364.41	-2.18	-81.20
CCC1=NC=C(C(=O)NC(C)(CNC(=O)C2=NSNC2=O)C2CC2)C(=O)[N-]1	REAL300032333302	1	46	-1.0	-48.72	384.53	0.46	-48.26
CC(CNC(=O)C1=NSNC1=O)(NC(=O)CN1N=CC(=O)[N-]C1=O)C1CC1	REAL300032333311	0	43	-1.0	-68.83	373.92	-3.59	-72.42
CC1=CC(=O)C(C(=O)NC(C)(CNC(=O)C2=NSNC2=O)C2CC2)=N[N-]1	REAL300032333487	0	43	-1.0	-60.09	369.32	1.55	-58.54
CC(CNC(=O)C1=NSNC1=O)(NC(=O)C1=NC(=O)N[N-]1)C1CC1	REAL300032333500	0	38	-1.0	-51.76	333.98	-3.37	-55.13
CC(CNC(=O)C1=NSNC1=O)(NC(=O)C1=CN=C(C=N[O-])S1)C1CC1	REAL300032333588	0	41	-1.0	-66.61	374.74	-0.47	-67.08
COC1=NC(C(=O)NC(C)(CNC(=O)C2=NSNC2=O)C2CC2)=CC(=O)[N-]1	REAL300032333600	0	44	-1.0	-59.48	380.27	-4.07	-63.55
CC(CNC(=O)C1=NC=CC=C1[O-])(NC(=O)C1=NSNC1=O)C1CC1	REAL300032333852	1	41	-1.0	-70.38	351.48	1.26	-69.12
CC(CNC(=O)C1=NNC(=O)[N-]C1=O)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032333975	0	40	-1.0	-60.35	352.15	-4.29	-64.64
CC(CNC(=O)CN1C(=O)[N-]NC1=O)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032334135	0	42	-1.0	-62.06	365.09	-2.60	-64.66
CC(CNC(=O)C1=CC(Cl)=CC=C1[O-])(NC(=O)C1=NSNC1=O)C1CC1	REAL300032335454	1	42	-1.0	-67.13	371.09	3.46	-63.67
CC(CNC(=O)C1=CC([O-])=CC(C#N)=C1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032335479	1	43	-1.0	-48.79	375.65	1.70	-47.09
CCC1=NC=C(C(=O)NCC(C)(NC(=O)C2=NSNC2=O)C2CC2)C(=O)[N-]1	REAL300032335562	1	46	-1.0	-51.64	384.70	0.32	-51.32
CC(CNC(=O)C1=COC(=O)[N-]1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032335580	1	38	-1.0	-51.01	334.59	-3.18	-54.19
CC(CNC(=O)C[N-]C(=O)C(F)(F)F)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032335647	0	41	-1.0	-54.04	369.54	-2.31	-56.35
CC(CNC(=O)CC1=C([O-])N=C(N)S1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032335648	0	43	-1.0	-76.52	380.75	-3.14	-79.66
CC(CNC(=O)C1=C(F)C=C([O-])C=C1F)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032335657	0	42	-1.0	-51.95	372.80	1.28	-50.67
CC(CNC(=O)C1=CC=C([O-])C=C1F)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032335672	1	42	-1.0	-58.58	361.04	1.40	-57.18
CC(CNC(=O)C1=CC([O-])=CC(=O)O1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032335678	0	41	-1.0	-52.03	359.86	0.56	-51.47
CC(CNC(=O)C1=CC=C(C#N)C([O-])=C1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032335685	1	43	-1.0	-50.56	377.73	1.71	-48.85
CC(CNC(=O)C1=CC(Cl)=NC=C1[O-])(NC(=O)C1=NSNC1=O)C1CC1	REAL300032335688	0	41	-1.0	-62.60	367.24	1.85	-60.75
CC(CNC(=O)CN1N=CC(=O)[N-]C1=O)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032335704	0	43	-1.0	-68.03	375.44	-3.71	-71.74
CC(CNC(=O)CCC1=NC(=O)[N-]N1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032335766	1	44	-1.0	-61.78	375.35	-2.51	-64.29
CC(CNC(=O)C1=C[N-]N=CC1=O)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032335782	0	40	-1.0	-46.88	343.77	-0.04	-46.92
CC(CNC(=O)C1=CC=CC(F)=C1[O-])(NC(=O)C1=NSNC1=O)C1CC1	REAL300032335791	0	42	-1.0	-77.96	358.85	3.04	-74.92
CC(CNC(=O)C1=CC=CC([O-])=C1F)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032335877	1	42	-1.0	-73.42	359.18	1.41	-72.01
CC(CNC(=O)C1=CC(=O)N[N-]1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032335975	0	39	-1.0	-54.31	337.81	-2.19	-56.50
CC(CNC(=O)C(=O)[PH](C)(C)[O-])(NC(=O)C1=NSNC1=O)C1CC1	REAL300032335981	0	44	-1.0	-55.26	374.47	-0.41	-55.67
CN1[N-]C(CC(=O)NCC(C)(NC(=O)C2=NSNC2=O)C2CC2)=CC1=O	REAL300032335986	0	45	-1.0	-69.95	381.38	0.15	-69.80
CC(CNC(=O)C1=CC(F)=CC(F)=C1[O-])(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336046	0	42	-1.0	-66.73	366.99	3.06	-63.67
CC(CNC(=O)C1=CC(=O)N([O-])C=C1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336068	0	42	-1.0	-72.41	363.60	1.82	-70.59
CC(CNC(=O)C1=NC(=O)N[N-]1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336092	0	38	-1.0	-51.28	335.19	-3.53	-54.81
CC(CNC(=O)C1=C([O-])C=CC=C1Cl)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336095	1	42	-1.0	-64.39	375.64	1.67	-62.72
CC(CNC(=O)C1=CC=CN([O-])C1=O)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336099	0	42	-1.0	-60.28	359.78	2.03	-58.25
CC(CNC(=O)C1=C(F)C=CC([O-])=C1F)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336128	1	42	-1.0	-59.33	373.68	1.22	-58.11
CC(CNC(=O)C1=NC(N)=CC(=O)[N-]1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336211	0	42	-1.0	-63.74	363.58	-2.74	-66.48
CC(CNC(=O)C1=CC=C([O-])C(Cl)=C1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336258	0	42	-1.0	-54.05	373.56	1.85	-52.20
CC(CNC(=O)C1=CC(F)=CC=C1[O-])(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336263	1	42	-1.0	-66.25	360.77	3.00	-63.25
CC1=CC=NC(C(=O)NCC(C)(NC(=O)C2=NSNC2=O)C2CC2)=C1[O-]	REAL300032336326	1	44	-1.0	-70.58	371.74	1.92	-68.66
CC(CNC(=O)C1=CN=CC([O-])=C1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336430	1	41	-1.0	-60.34	351.43	-0.46	-60.80
CC(CNC(=O)C1=CC=CC(=S)N1[O-])(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336440	0	42	-1.0	-95.29	369.00	3.94	-91.35
CC(CNC(=O)C1=CC=C([O-])C(Cl)=N1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336547	0	41	-1.0	-49.17	368.17	0.11	-49.06
CC(CNC(=O)C1=CC=C([O-])C=C1Cl)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336585	1	42	-1.0	-56.51	369.01	1.84	-54.67
CC(CNC(=O)CC1=NC([O-])=CS1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336596	0	41	-1.0	-77.10	365.93	-2.27	-79.37
CC(CNC(=O)C1=C([O-])C=CC=C1F)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336611	1	42	-1.0	-65.39	366.15	1.31	-64.08
CC(CNC(=O)CN1[N-]C(=O)C=CC1=O)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336613	0	44	-1.0	-64.94	379.67	-1.62	-66.56
CC(CNC(=O)C1=CC=C(F)C=C1[O-])(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336614	0	42	-1.0	-70.46	360.76	3.01	-67.45
CC1=CC=C(F)C([O-])=C1C(=O)NCC(C)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336644	0	45	-1.0	-65.60	385.59	1.87	-63.73
CC(CNC(=O)CC1SC(=O)[N-]C1=O)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336706	0	42	-1.0	-54.83	374.05	-2.77	-57.60
CC(CNC(=O)C1=CC=C([O-])C(F)=C1F)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336731	0	42	-1.0	-60.75	367.13	1.47	-59.28
CC(CNC(=O)C1=CC=CC(Cl)=C1[O-])(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336737	0	42	-1.0	-72.21	368.66	3.50	-68.71
CC1=CC(=O)C(C(=O)NCC(C)(NC(=O)C2=NSNC2=O)C2CC2)=N[N-]1	REAL300032336765	0	43	-1.0	-59.43	368.98	1.89	-57.54
CC(CNC(=O)C1=CC=CC(=O)N1[O-])(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336790	0	42	-1.0	-91.63	357.89	2.89	-88.74
CC(CNC(=O)C1=CC=C(C#N)[N-]C1=O)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336818	0	42	-1.0	-46.38	369.36	-0.20	-46.58
CN1N=C(C(=O)NCC(C)(NC(=O)C2=NSNC2=O)C2CC2)[N-]C1=O	REAL300032336864	0	41	-1.0	-60.77	357.92	-2.02	-62.79
CC(CNC(=O)C1=C(F)C=CC(O)=C1O)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336913	0	43	-1.0	-66.91	378.06	-0.68	-67.59
CC(CNC(=O)C1=C(F)C=CC(O)=C1[O-])(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336913	1	43	-1.0	-66.91	378.06	-0.68	-67.59
CC(CNC(=O)C1=CC(C#N)=CC=C1[O-])(NC(=O)C1=NSNC1=O)C1CC1	REAL300032336922	0	43	-1.0	-62.62	375.19	3.34	-59.28
CC(CNC(=O)C1=CN([O-])C(=O)NC1=O)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337005	0	42	-1.0	-53.98	365.02	-0.50	-54.48
CC(CNC(=O)C1=CC=C(F)C([O-])=C1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337056	1	42	-1.0	-53.97	363.80	1.33	-52.64
CC(C[N-]C(=O)C(F)(F)C(F)(F)F)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337066	1	37	-1.0	-52.18	342.08	0.21	-51.97
CC(CNC(=O)C1=CC=C(Cl)C=C1[O-])(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337074	1	42	-1.0	-70.13	371.08	3.46	-66.67
CC(CNC(=O)C1=NC(=O)[N-]C(=O)N1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337141	0	40	-1.0	-49.03	351.57	-4.49	-53.52
CC(CNC(=O)C1=NC(=O)NC(=O)[N-]1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337141	1	40	-1.0	-49.03	351.57	-4.49	-53.52
CC(CNC(=O)C1=CN=C(N)NC1=O)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337195	0	42	-1.0	-52.31	358.00	-1.33	-53.64
CC(CNC(=O)C1=CN=C(N)[N-]C1=O)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337195	1	42	-1.0	-52.31	358.00	-1.33	-53.64
CC(CNC(=O)C1=NC=CC(Cl)=C1[O-])(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337279	0	41	-1.0	-66.71	367.61	1.74	-64.97
CC(CNC(=O)C1=CC=NC=C1O)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337326	0	41	-1.0	-69.94	349.64	1.12	-68.82
CC(CNC(=O)C1=CC=NC=C1[O-])(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337326	1	41	-1.0	-69.94	349.64	1.12	-68.82
CC(CNC(=O)C1=CC(=O)[N-]O1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337332	0	38	-1.0	-55.90	334.16	-1.70	-57.60
CC1SC(C(=O)NCC(C)(NC(=O)C2=NSNC2=O)C2CC2)=NC1=O	REAL300032337354	0	41	-1.0	-55.79	365.90	-2.10	-57.89
CC1=C([O-])N=C(C(=O)NCC(C)(NC(=O)C2=NSNC2=O)C2CC2)S1	REAL300032337354	1	41	-1.0	-55.79	365.90	-2.10	-57.89
CC(CNC(=O)C(=O)C1=CC=C(O)C=C1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337446	0	44	-1.0	-57.48	375.12	1.17	-56.31
CC(CNC(=O)C(=O)C1=CC=C([O-])C=C1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337446	1	44	-1.0	-57.48	375.12	1.17	-56.31
CC(CNC(=O)C1=CN=C(C=N[O-])S1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337465	0	41	-1.0	-65.06	374.92	-0.63	-65.69
CC(CNC(=O)C1=CC(=O)C=C(Cl)N1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337486	0	41	-1.0	-50.71	370.41	1.38	-49.33
CC(CNC(=O)C1=CC(=O)C=C(Cl)[N-]1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337486	1	41	-1.0	-50.71	370.41	1.38	-49.33
CC(CNC(=O)C1=CC(=O)NC([O-])=C1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337506	0	42	-1.0	-51.42	362.64	-3.03	-54.45
CCN1[N-]C(C(=O)NCC(C)(NC(=O)C2=NSNC2=O)C2CC2)=CC1=O	REAL300032337563	0	45	-1.0	-57.84	384.09	0.45	-57.39
CN1[N-]C(C(=O)NCC(C)(NC(=O)C2=NSNC2=O)C2CC2)=CC1=O	REAL300032337582	0	42	-1.0	-56.89	362.36	-0.48	-57.37
CC(CNC(=O)CSC1=NNC(=O)[N-]1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337592	0	42	-1.0	-57.66	376.40	-2.35	-60.01
CC(CNC(=O)CC1=CC(=O)NN1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337719	0	42	-1.0	-65.46	360.09	-1.55	-67.01
CC(CNC(=O)CC1=CC(=O)N[N-]1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337719	1	42	-1.0	-65.46	360.09	-1.55	-67.01
CC(CNC(=O)C1=CC=C(O)C(F)=C1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337724	0	42	-1.0	-57.06	363.76	1.36	-55.70
CC(CNC(=O)C1=CC=C([O-])C(F)=C1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337724	1	42	-1.0	-57.06	363.76	1.36	-55.70
CC(CNC(=O)C1=CC(F)=C([O-])C(F)=C1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337770	0	42	-1.0	-57.35	368.92	1.47	-55.88
CC(CNC(=O)C1=CC=NC(Cl)=C1[O-])(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337775	0	41	-1.0	-67.94	366.55	1.88	-66.06
CC1=CN=C(C(=O)NCC(C)(NC(=O)C2=NSNC2=O)C2CC2)C(O)=C1	REAL300032337826	0	44	-1.0	-72.03	372.92	1.90	-70.13
CC1=CN=C(C(=O)NCC(C)(NC(=O)C2=NSNC2=O)C2CC2)C([O-])=C1	REAL300032337826	1	44	-1.0	-72.03	372.92	1.90	-70.13
CC(CNC(=O)C1=CC([O-])=CS1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337847	0	39	-1.0	-63.92	348.77	0.24	-63.68
CC(CNC(=O)C1=CN([O-])C(=O)C=C1)(NC(=O)C1=NSNC1=O)C1CC1	REAL300032337863	0	42	-1.0	-71.16	362.06	1.90	-69.26
CN1[N-]C(C(=O)NC(C)(CNC(=O)C2=NSNC2=O)C2CC2)=CC1=O	REAL300032338001	0	42	-1.0	-56.90	362.19	-0.37	-57.27
CC(CNC(=O)C1=NSNC1=O)(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300032338008	0	42	-1.0	-59.07	376.52	-2.26	-61.33
CC(CNC(=O)C1=NSNC1=O)(NC(=O)C1=NC(=O)[N-]C(=O)N1)C1CC1	REAL300032338132	0	40	-1.0	-53.61	352.67	-5.14	-58.75
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CC(CNC(=O)C1=NSNC1=O)(NC(=O)CN1[N-]C(=O)C=CC1=O)C1CC1	REAL300032338252	0	44	-1.0	-65.47	379.69	-1.50	-66.97
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CCN1[N-]C(C(=O)N2CCCC(CCNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032342050	0	48	-1.0	-64.07	401.88	2.27	-61.80
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CC1=CC(=O)C(C(=O)NCCC2CCCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032344512	0	46	-1.0	-63.82	386.86	3.25	-60.57
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CN1N=C(C(=O)NCCC2CCCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300032344569	0	44	-1.0	-66.15	374.93	-0.22	-66.37
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CC1=C([O-])N=C(C(=O)NCCC2CCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300032344862	1	44	-1.0	-62.14	384.68	-0.42	-62.56
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CCN1[N-]C(C(=O)NCCC2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032344992	0	48	-1.0	-63.10	402.15	2.22	-60.88
CN1[N-]C(C(=O)NCCC2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032345008	0	45	-1.0	-62.15	380.42	1.29	-60.86
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CN1[N-]C(C(=O)N2CCCC(CCNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032345260	0	45	-1.0	-62.95	379.68	1.31	-61.64
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CCN1[N-]C(C(=O)N2CCC(CCNC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032346781	0	48	-1.0	-58.57	401.24	2.24	-56.33
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CN1N=C(C(=O)N2CCC(CCNC(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300032346807	0	44	-1.0	-62.09	374.28	-0.22	-62.31
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C[PH](C)([O-])C(=O)C(=O)N1CCC(CCNC(=O)C2=NSNC2=O)CC1	REAL300032346922	0	47	-1.0	-54.97	396.09	0.56	-54.41
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C[PH](C)([O-])C(=O)C(=O)N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1	REAL300032355618	0	44	-1.0	-51.38	377.66	-1.00	-52.38
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O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=NNC(=O)[N-]1	REAL300032355729	0	38	-1.0	-57.87	339.23	-3.78	-61.65
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=C(O)C=CC=C1Cl	REAL300032355732	0	42	-1.0	-59.49	380.95	1.55	-57.94
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=C([O-])C=CC=C1Cl	REAL300032355732	1	42	-1.0	-59.49	380.95	1.55	-57.94
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CC=CN([O-])C1=O	REAL300032355736	0	42	-1.0	-64.77	364.94	1.91	-62.86
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=C(F)C=CC(O)=C1F	REAL300032355765	0	42	-1.0	-56.74	377.83	1.13	-55.61
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=C(F)C=CC([O-])=C1F	REAL300032355765	1	42	-1.0	-56.74	377.83	1.13	-55.61
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CC(F)=CC=C1O	REAL300032355900	0	42	-1.0	-63.77	365.97	2.89	-60.88
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CC(F)=CC=C1[O-]	REAL300032355900	1	42	-1.0	-63.77	365.97	2.89	-60.88
CC1=CC=NC(C(=O)N[C@H]2CC[C@H](NC(=O)C3=NSNC3=O)CC2)=C1[O-]	REAL300032355963	1	44	-1.0	-66.60	377.11	1.79	-64.81
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CN=CC([O-])=C1	REAL300032356067	1	41	-1.0	-61.35	356.74	-0.60	-61.95
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CC=CC(=S)N1[O-]	REAL300032356077	0	42	-1.0	-90.58	375.98	3.79	-86.79
O=C(N[C@H]1CC[C@H](NC(=O)C2=CC=C([O-])C(Cl)=N2)CC1)C1=NSNC1=O	REAL300032356184	0	41	-1.0	-51.38	375.10	-0.03	-51.41
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CC=C([O-])C=C1Cl	REAL300032356222	1	42	-1.0	-57.90	374.21	1.75	-56.15
O=C(CC1=NC([O-])=CS1)N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1	REAL300032356233	0	41	-1.0	-73.44	371.25	-2.41	-75.85
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=C([O-])C=CC=C1F	REAL300032356248	1	42	-1.0	-64.22	371.46	1.18	-63.04
O=C(CN1[N-]C(=O)C=CC1=O)N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1	REAL300032356250	0	44	-1.0	-57.98	386.53	-1.72	-59.70
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CC=C(F)C=C1[O-]	REAL300032356251	0	42	-1.0	-67.38	365.95	2.89	-64.49
CC1=CC=C(F)C([O-])=C1C(=O)N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1	REAL300032356281	0	45	-1.0	-70.59	390.89	1.73	-68.86
O=C(CC1SC(=O)[N-]C1=O)N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1	REAL300032356343	0	42	-1.0	-53.41	378.99	-3.15	-56.56
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CC=C([O-])C(F)=C1F	REAL300032356368	0	42	-1.0	-61.57	372.33	1.39	-60.18
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CC=CC(Cl)=C1[O-]	REAL300032356374	0	42	-1.0	-67.41	375.59	3.35	-64.06
CC1=CC(=O)C(C(=O)N[C@H]2CC[C@H](NC(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300032356402	0	43	-1.0	-57.74	373.49	1.47	-56.27
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CC=CC(=O)N1[O-]	REAL300032356427	0	42	-1.0	-86.81	364.86	2.75	-84.06
N#CC1=CC=C(C(=O)N[C@H]2CC[C@H](NC(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300032356455	0	42	-1.0	-47.80	374.66	-0.28	-48.08
CN1N=C(C(=O)N[C@H]2CC[C@H](NC(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300032356501	0	41	-1.0	-60.71	361.98	-2.12	-62.83
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=C(F)C=CC(O)=C1O	REAL300032356550	0	43	-1.0	-61.48	382.20	-0.80	-62.28
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N#CC1=CC=C([O-])C(C(=O)N[C@H]2CC[C@H](NC(=O)C3=NSNC3=O)CC2)=C1	REAL300032356559	0	43	-1.0	-60.93	380.39	3.26	-57.67
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O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CC=C(F)C(O)=C1	REAL300032356693	0	42	-1.0	-68.04	367.94	1.26	-66.78
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CC=C(F)C([O-])=C1	REAL300032356693	1	42	-1.0	-68.04	367.94	1.26	-66.78
O=C(N[C@H]1CC[C@H](NC(=O)C(F)(F)C(F)(F)F)CC1)C1=NSNC1=O	REAL300032356703	0	37	-1.0	-48.49	342.63	-0.01	-48.50
O=C([N-][C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C(F)(F)C(F)(F)F	REAL300032356703	1	37	-1.0	-48.49	342.63	-0.01	-48.50
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CC=C(Cl)C=C1O	REAL300032356711	0	42	-1.0	-66.94	376.28	3.35	-63.59
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CC=C(Cl)C=C1[O-]	REAL300032356711	1	42	-1.0	-66.94	376.28	3.35	-63.59
O=C(N[C@H]1CC[C@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)CC1)C1=NSNC1=O	REAL300032356778	0	40	-1.0	-56.68	357.85	-5.37	-62.05
O=C(N[C@H]1CC[C@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)CC1)C1=NSNC1=O	REAL300032356778	1	40	-1.0	-50.82	358.50	-4.61	-55.43
NC1=NC=C(C(=O)N[C@H]2CC[C@H](NC(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300032356832	1	42	-1.0	-53.31	363.15	-1.41	-54.72
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CC=C(F)C([O-])=C1F	REAL300032356865	0	42	-1.0	-70.90	372.29	1.35	-69.55
COC1=NC(C(=O)N[C@H]2CC[C@H](NC(=O)C3=NSNC3=O)CC2)=CC(=O)[N-]1	REAL300032356907	0	44	-1.0	-59.37	385.45	-4.30	-63.67
O=C(N[C@H]1CC[C@H](NC(=O)C2=NC=CC(Cl)=C2[O-])CC1)C1=NSNC1=O	REAL300032356916	0	41	-1.0	-62.88	372.99	1.64	-61.24
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CC=C(Cl)C([O-])=C1	REAL300032356954	0	42	-1.0	-63.63	377.74	1.75	-61.88
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CC=NC=C1[O-]	REAL300032356963	1	41	-1.0	-67.17	354.84	1.01	-66.16
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CC1=C([O-])N=C(C(=O)N[C@H]2CC[C@H](NC(=O)C3=NSNC3=O)CC2)S1	REAL300032356991	1	41	-1.0	-60.15	371.28	-2.18	-62.33
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C(=O)C1=CC=C([O-])C=C1	REAL300032357083	1	44	-1.0	-57.25	382.04	1.08	-56.17
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CN=C(C=N[O-])S1	REAL300032357102	0	41	-1.0	-67.68	380.11	-0.72	-68.40
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CC(=O)C=C(Cl)[N-]1	REAL300032357123	1	41	-1.0	-51.24	374.88	0.97	-50.27
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CCN1[N-]C(C(=O)N[C@H]2CC[C@H](NC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032357200	0	45	-1.0	-57.90	389.28	0.33	-57.57
CN1[N-]C(C(=O)N[C@H]2CC[C@H](NC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032357219	0	42	-1.0	-57.15	367.56	-0.61	-57.76
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O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CC=C([O-])C(F)=C1	REAL300032357361	1	42	-1.0	-61.26	367.91	1.33	-59.93
O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CC(F)=C([O-])C(F)=C1	REAL300032357407	0	42	-1.0	-59.99	374.12	1.38	-58.61
O=C(N[C@H]1CC[C@H](NC(=O)C2=CC=NC(Cl)=C2[O-])CC1)C1=NSNC1=O	REAL300032357412	0	41	-1.0	-65.35	371.02	1.47	-63.88
CC1=C(CC(=O)N[C@H]2CC[C@H](NC(=O)C3=NSNC3=O)CC2)C(=O)N(C)[N-]1	REAL300032357427	0	48	-1.0	-63.35	408.22	0.72	-62.63
CC1=CN=C(C(=O)N[C@H]2CC[C@H](NC(=O)C3=NSNC3=O)CC2)C([O-])=C1	REAL300032357463	1	44	-1.0	-68.32	378.23	1.75	-66.57
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CN1[N-]C(C(=O)N[C@H]2CC[C@H](NC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032357652	0	42	-1.0	-57.15	367.56	-0.61	-57.76
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O=C(N[C@H]1CC[C@H](NC(=O)C2=NSNC2=O)CC1)C1=CC(=O)[N-]O1	REAL300032357954	0	38	-1.0	-58.55	339.48	-1.82	-60.37
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CN1N=C(C(=O)NCC2=CC=C(CNC(=O)C3=NSNC3=O)C=C2)[N-]C1=O	REAL300032358927	0	41	-1.0	-57.75	381.97	-1.13	-58.88
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C[PH](C)([O-])C(=O)C(=O)NCC1=CC=C(CNC(=O)C2=NSNC2=O)C=C1	REAL300032359005	0	44	-1.0	-49.53	397.57	-0.03	-49.56
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C[PH](C)([O-])C(=O)C(=O)NCC1=CC=C(CNC(=O)C2=NSNC2=O)C=C1	REAL300032360288	0	44	-1.0	-49.53	397.57	-0.03	-49.56
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CC(CNC(=O)CN1C(=O)[N-]NC1=O)CNC(=O)C1=NSNC1=O	REAL300032383578	0	38	-1.0	-60.77	347.44	-3.80	-64.57
CC(CNC(=O)CN1[N-]C=C2C1=NC=NC2=O)CNC(=O)C1=NSNC1=O	REAL300032383648	0	42	-1.0	-64.37	380.99	-0.92	-65.29
CC(CNC(=O)CCCN1C(=O)[N-]NC1=O)CNC(=O)C1=NSNC1=O	REAL300032384845	0	44	-1.0	-61.15	389.97	-2.59	-63.74
CC(C)CN1[N-]C(CC(=O)NCC(C)CNC(=O)C2=NSNC2=O)=CC1=O	REAL300032385056	0	50	-1.0	-66.88	424.42	1.17	-65.71
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CC(CNC(=O)C1=NSNC1=O)CNC(=O)C1=CN=CC([O-])=C1	REAL300032388099	1	37	-1.0	-60.77	333.78	-1.66	-62.43
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CC(CNC(=O)C=C([O-])C1=CC=C(O)C=C1)CNC(=O)C1=NSNC1=O	REAL300032388725	0	43	-1.0	-69.89	380.27	0.26	-69.63
CC(CNC(=O)C1=NSNC1=O)CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300032388764	0	38	-1.0	-87.84	341.85	1.68	-86.16
CC(CNC(=O)C1=NSNC1=O)CNC(=O)C1=CC=C(C#N)[N-]C1=O	REAL300032388814	0	38	-1.0	-44.42	351.77	-1.36	-45.78
CC(CNC(=O)COC1=NC(=O)[N-]C(=O)N1)CNC(=O)C1=NSNC1=O	REAL300032388815	0	40	-1.0	-59.97	368.66	-7.25	-67.22
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CC(CNC(=O)C1=CN=C(C=N[O-])S1)CNC(=O)C1=NSNC1=O	REAL300032390056	0	37	-1.0	-66.99	357.15	-1.81	-68.80
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CC(CNC(=O)C1=NSNC1=O)CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300032390135	0	38	-1.0	-52.18	344.87	-4.23	-56.41
CCN1[N-]C(C(=O)NCC(C)CNC(=O)C2=NSNC2=O)=CC1=O	REAL300032390234	0	41	-1.0	-56.34	366.31	-0.75	-57.09
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CC(CNC(=O)CC1=CC(=O)N[N-]1)CNC(=O)C1=NSNC1=O	REAL300032390487	1	38	-1.0	-64.33	342.44	-2.76	-67.09
CC(CNC(=O)C1=NSNC1=O)CNC(=O)C1=CC=C([O-])C(F)=C1	REAL300032390494	1	38	-1.0	-57.60	344.94	0.22	-57.38
CC(CNC(=O)C1=NSNC1=O)CNC(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300032390568	0	38	-1.0	-58.82	351.15	0.30	-58.52
CC(CNC(=O)C1=NSNC1=O)CNC(=O)C1=CC=NC(Cl)=C1[O-]	REAL300032390574	0	37	-1.0	-65.39	348.06	0.39	-65.00
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CC(CNC(=O)CCC(=O)C1=CC=C([O-])C=C1)CNC(=O)C1=NSNC1=O	REAL300032390611	1	46	-1.0	-60.86	404.87	1.46	-59.40
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CC(CNC(=O)C1=NSNC1=O)CNC(=O)C1=C(O)C=CC(Cl)=C1[O-]	REAL300032390674	0	39	-1.0	-60.98	368.95	-2.21	-63.19
CC(CNC(=O)C1=CC([O-])=CS1)CNC(=O)C1=NSNC1=O	REAL300032390700	0	35	-1.0	-63.75	331.00	-0.94	-64.69
CC(CNC(=O)C1=NSNC1=O)CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300032390728	0	38	-1.0	-72.52	344.41	0.68	-71.84
CC(CNC(=O)C1=NSNC1=O)CNC(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300032390736	0	38	-1.0	-60.05	359.02	2.35	-57.70
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CCN1[N-]C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCO2)=CC1=O	REAL300032393775	0	43	-1.0	-57.75	374.65	-0.67	-58.42
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CN1[N-]C(C(=O)N2CCOC(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032398474	0	40	-1.0	-54.47	353.00	-1.56	-56.03
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CC1=CN=C(C(=O)N2CCOC(CNC(=O)C3=NSNC3=O)C2)C(O)=C1	REAL300032398706	0	42	-1.0	-65.11	366.19	0.52	-64.59
CC1=CN=C(C(=O)N2CCOC(CNC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300032398706	1	42	-1.0	-65.11	366.19	0.52	-64.59
O=C(NCC1CN(C(=O)C2=CC([O-])=CS2)CCO1)C1=NSNC1=O	REAL300032398725	0	37	-1.0	-61.25	340.30	-1.41	-62.66
O=C(NCC1CN(C(=O)C2=CN([O-])C(=O)C=C2)CCO1)C1=NSNC1=O	REAL300032398741	0	40	-1.0	-65.29	360.61	0.36	-64.93
CN1[N-]C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCO2)=CC1=O	REAL300032398884	0	40	-1.0	-56.82	353.00	-1.52	-58.34
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=NC(=O)[N-]C(=O)N1	REAL300032399035	0	38	-1.0	-56.09	343.23	-6.37	-62.46
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=NC(=O)NC(=O)[N-]1	REAL300032399035	1	38	-1.0	-50.42	343.88	-5.62	-56.04
O=C(CN1[N-]C(=O)C=CC1=O)NCC1CN(C(=O)C2=NSNC2=O)CCO1	REAL300032399171	0	42	-1.0	-61.10	371.98	-2.64	-63.74
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CC(=O)[N-]O1	REAL300032399178	0	36	-1.0	-57.95	324.85	-2.83	-60.78
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CN([O-])C(=O)NC1=O	REAL300032399189	0	40	-1.0	-55.24	356.01	-1.57	-56.81
O=C(NC1(CNC(=O)C2=NNC(=O)[N-]C2=O)CCCC1)C1=NSNC1=O	REAL300032400386	0	40	-1.0	-60.70	352.32	-4.37	-65.07
O=C(CN1C(=O)[N-]NC1=O)NCC1(NC(=O)C2=NSNC2=O)CCCC1	REAL300032400470	0	42	-1.0	-62.63	365.72	-2.71	-65.34
O=C(NC1(CNC(=O)C2=CN([O-])C(=O)C=C2)CCCC1)C1=NSNC1=O	REAL300032401061	0	42	-1.0	-72.02	362.69	1.77	-70.25
O=C(NC1(CNC(=O)C2=CC(=O)NC([O-])=C2)CCCC1)C1=NSNC1=O	REAL300032401175	0	42	-1.0	-51.47	363.15	-3.13	-54.60
O=C(NCC1(NC(=O)C2=NSNC2=O)CCCC1)C1=COC(=O)[N-]1	REAL300032401186	1	38	-1.0	-51.24	335.94	-3.30	-54.54
O=C([N-]CC1(NC(=O)C2=NSNC2=O)CCCC1)C(F)(F)C(F)(F)F	REAL300032401276	1	37	-1.0	-52.26	342.05	-0.01	-52.27
CCN1[N-]C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)=CC1=O	REAL300032401356	0	45	-1.0	-57.85	384.60	0.36	-57.49
O=C(CC1=CC(=O)N[N-]1)NCC1(NC(=O)C2=NSNC2=O)CCCC1	REAL300032401364	1	42	-1.0	-66.21	360.72	-1.68	-67.89
O=C(NC1(CNC(=O)C2=CC=CC(=S)N2[O-])CCCC1)C1=NSNC1=O	REAL300032401382	0	42	-1.0	-95.28	371.33	3.78	-91.50
O=C(CC1SC(=O)[N-]C1=O)NCC1(NC(=O)C2=NSNC2=O)CCCC1	REAL300032401391	0	42	-1.0	-53.85	373.84	-3.15	-57.00
CN1N=C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)[N-]C1=O	REAL300032401407	0	41	-1.0	-61.18	358.01	-2.11	-63.29
O=C(NC1(CNC(=O)C2=C[N-]N=CC2=O)CCCC1)C1=NSNC1=O	REAL300032401496	0	40	-1.0	-46.30	344.32	-0.26	-46.56
O=C(NCC1(NC(=O)C2=NSNC2=O)CCCC1)C1=CC(=O)N[N-]1	REAL300032401595	0	39	-1.0	-53.90	340.05	-2.30	-56.20
C[PH](C)([O-])C(=O)C(=O)NCC1(NC(=O)C2=NSNC2=O)CCCC1	REAL300032401600	0	44	-1.0	-54.88	373.72	-0.99	-55.87
O=C(CCC1=NC(=O)NN1)NCC1(NC(=O)C2=NSNC2=O)CCCC1	REAL300032401627	0	44	-1.0	-62.69	375.98	-2.63	-65.32
O=C(CCC1=NC(=O)[N-]N1)NCC1(NC(=O)C2=NSNC2=O)CCCC1	REAL300032401627	1	44	-1.0	-62.69	375.98	-2.63	-65.32
O=C(NC1(CNC(=O)C2=CC=CN([O-])C2=O)CCCC1)C1=NSNC1=O	REAL300032401631	0	42	-1.0	-60.13	359.03	1.93	-58.20
CC1SC(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)=NC1=O	REAL300032401659	0	41	-1.0	-55.43	367.31	-2.19	-57.62
CC1=C([O-])N=C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)S1	REAL300032401659	1	41	-1.0	-55.43	367.31	-2.19	-57.62
O=C(NC1(CNC(=O)C2=CC(=O)C=C(Cl)N2)CCCC1)C1=NSNC1=O	REAL300032401673	0	41	-1.0	-51.37	370.91	0.97	-50.40
O=C(NC1(CNC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCCC1)C1=NSNC1=O	REAL300032401673	1	41	-1.0	-51.37	370.91	0.97	-50.40
O=C(NC1(CNC(=O)C2=CC(=O)N([O-])C=C2)CCCC1)C1=NSNC1=O	REAL300032401690	0	42	-1.0	-71.66	363.06	1.78	-69.88
O=C(NC1(CNC(=O)C2=CC=CC(=O)N2[O-])CCCC1)C1=NSNC1=O	REAL300032401723	0	42	-1.0	-91.42	360.22	2.73	-88.69
NC1=NC([O-])=C(CC(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)S1	REAL300032401846	0	43	-1.0	-77.86	381.38	-3.27	-81.13
O=C(CC1=NC([O-])=CS1)NCC1(NC(=O)C2=NSNC2=O)CCCC1	REAL300032401891	0	41	-1.0	-78.16	366.56	-2.37	-80.53
CCC1=NC=C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)C(=O)N1	REAL300032401909	0	46	-1.0	-50.39	385.18	0.20	-50.19
CCC1=NC=C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)C(=O)[N-]1	REAL300032401909	1	46	-1.0	-50.39	385.18	0.20	-50.19
CC1=CC(=O)C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)=N[N-]1	REAL300032402120	0	43	-1.0	-60.01	369.48	1.49	-58.52
O=C(NCC1(NC(=O)C2=NSNC2=O)CCCC1)C1=NNC(=O)[N-]1	REAL300032402135	0	38	-1.0	-57.26	334.54	-3.77	-61.03
O=C(NCC1(NC(=O)C2=NSNC2=O)CCCC1)C1=CN=C(C=N[O-])S1	REAL300032402246	0	41	-1.0	-65.45	375.43	-0.72	-66.17
COC1=NC(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)=CC(=O)[N-]1	REAL300032402259	0	44	-1.0	-59.56	380.66	-4.38	-63.94
O=C(NCC1(NC(=O)C2=NC=CC=C2[O-])CCCC1)C1=NSNC1=O	REAL300032402515	1	41	-1.0	-70.23	352.82	1.11	-69.12
O=C(NCC1(NC(=O)C2=NNC(=O)[N-]C2=O)CCCC1)C1=NSNC1=O	REAL300032402628	0	40	-1.0	-61.86	352.32	-4.40	-66.26
O=C(CN1C(=O)[N-]NC1=O)NC1(CNC(=O)C2=NSNC2=O)CCCC1	REAL300032402766	0	42	-1.0	-64.72	366.44	-2.62	-67.34
O=C(NCC1(NC(=O)C2=CC(Cl)=CC=C2[O-])CCCC1)C1=NSNC1=O	REAL300032403868	1	42	-1.0	-66.16	371.61	3.38	-62.78
N#CC1=CC([O-])=CC(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)=C1	REAL300032403891	1	43	-1.0	-48.96	377.90	1.70	-47.26
CCC1=NC=C(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)C(=O)[N-]1	REAL300032403958	1	46	-1.0	-48.57	385.14	0.28	-48.29
O=C(NCC1(NC(=O)C2=COC(=O)[N-]2)CCCC1)C1=NSNC1=O	REAL300032403973	1	38	-1.0	-50.63	335.22	-3.19	-53.82
O=C(C[N-]C(=O)C(F)(F)F)NC1(CNC(=O)C2=NSNC2=O)CCCC1	REAL300032404039	0	41	-1.0	-54.31	370.18	-2.32	-56.63
NC1=NC([O-])=C(CC(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)S1	REAL300032404040	0	43	-1.0	-73.96	381.39	-3.16	-77.12
O=C(NCC1(NC(=O)C2=CC=C([O-])C=C2F)CCCC1)C1=NSNC1=O	REAL300032404059	1	42	-1.0	-59.79	361.56	1.44	-58.35
O=C(NCC1(NC(=O)C2=CC([O-])=CC(=O)O2)CCCC1)C1=NSNC1=O	REAL300032404065	0	41	-1.0	-53.32	360.37	0.56	-52.76
N#CC1=CC=C(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)C=C1[O-]	REAL300032404071	1	43	-1.0	-50.94	377.92	1.75	-49.19
O=C(NCC1(NC(=O)C2=CC(Cl)=NC=C2[O-])CCCC1)C1=NSNC1=O	REAL300032404074	0	41	-1.0	-62.54	367.03	1.47	-61.07
O=C(CN1N=CC(=O)[N-]C1=O)NC1(CNC(=O)C2=NSNC2=O)CCCC1	REAL300032404086	0	43	-1.0	-67.58	376.07	-3.72	-71.30
O=C(NCC1(NC(=O)C2=C[N-]N=CC2=O)CCCC1)C1=NSNC1=O	REAL300032404157	0	40	-1.0	-44.36	344.27	-0.07	-44.43
O=C(NCC1(NC(=O)C2=CC=CC(F)=C2[O-])CCCC1)C1=NSNC1=O	REAL300032404164	0	42	-1.0	-78.45	361.82	2.89	-75.56
O=C(NCC1(NC(=O)C2=CC=CC([O-])=C2F)CCCC1)C1=NSNC1=O	REAL300032404239	1	42	-1.0	-75.52	362.15	1.38	-74.14
O=C(NCC1(NC(=O)C2=CC(=O)N[N-]2)CCCC1)C1=NSNC1=O	REAL300032404321	0	39	-1.0	-53.74	340.06	-2.22	-55.96
C[PH](C)([O-])C(=O)C(=O)NC1(CNC(=O)C2=NSNC2=O)CCCC1	REAL300032404326	0	44	-1.0	-54.39	378.57	-0.89	-55.28
O=C(NCC1(NC(=O)C2=CC(=O)N([O-])C=C2)CCCC1)C1=NSNC1=O	REAL300032404400	0	42	-1.0	-73.57	363.08	1.87	-71.70
O=C(NCC1(NC(=O)C2=NNC(=O)[N-]2)CCCC1)C1=NSNC1=O	REAL300032404424	0	38	-1.0	-57.57	334.54	-3.67	-61.24
O=C(NCC1(NC(=O)C2=CC=CN([O-])C2=O)CCCC1)C1=NSNC1=O	REAL300032404429	0	42	-1.0	-57.91	360.25	1.98	-55.93
O=C(NCC1(NC(=O)C2=CC(F)=CC=C2O)CCCC1)C1=NSNC1=O	REAL300032404564	0	42	-1.0	-65.48	361.29	2.92	-62.56
O=C(NCC1(NC(=O)C2=CC(F)=CC=C2[O-])CCCC1)C1=NSNC1=O	REAL300032404564	1	42	-1.0	-65.48	361.29	2.92	-62.56
CC1=CC=NC(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)=C1O	REAL300032404622	0	44	-1.0	-67.77	372.44	1.81	-65.96
CC1=CC=NC(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)=C1[O-]	REAL300032404622	1	44	-1.0	-67.77	372.44	1.81	-65.96
O=C(NCC1(NC(=O)C2=CN=CC(O)=C2)CCCC1)C1=NSNC1=O	REAL300032404714	0	41	-1.0	-62.21	352.08	-0.49	-62.70
O=C(NCC1(NC(=O)C2=CN=CC([O-])=C2)CCCC1)C1=NSNC1=O	REAL300032404714	1	41	-1.0	-62.21	352.08	-0.49	-62.70
O=C(NCC1(NC(=O)C2=CC=CC(=S)N2[O-])CCCC1)C1=NSNC1=O	REAL300032404724	0	42	-1.0	-98.16	371.97	3.78	-94.38
O=C(NCC1(NC(=O)C2=CC=C([O-])C(Cl)=N2)CCCC1)C1=NSNC1=O	REAL300032404821	0	41	-1.0	-49.22	371.13	0.06	-49.16
O=C(NCC1(NC(=O)C2=CC=C(O)C=C2Cl)CCCC1)C1=NSNC1=O	REAL300032404858	0	42	-1.0	-57.58	369.53	1.88	-55.70
O=C(NCC1(NC(=O)C2=CC=C([O-])C=C2Cl)CCCC1)C1=NSNC1=O	REAL300032404858	1	42	-1.0	-57.58	369.53	1.88	-55.70
O=C(CC1=NC([O-])=CS1)NC1(CNC(=O)C2=NSNC2=O)CCCC1	REAL300032404865	0	41	-1.0	-80.89	367.28	-2.30	-83.19
O=C(CN1[N-]C(=O)C=CC1=O)NC1(CNC(=O)C2=NSNC2=O)CCCC1	REAL300032404879	0	44	-1.0	-64.14	381.84	-1.62	-65.76
O=C(CC1SC(=O)[N-]C1=O)NC1(CNC(=O)C2=NSNC2=O)CCCC1	REAL300032404955	0	42	-1.0	-55.12	373.84	-3.07	-58.19
O=C(NCC1(NC(=O)C2=CC=C([O-])C(F)=C2F)CCCC1)C1=NSNC1=O	REAL300032404975	0	42	-1.0	-62.44	367.65	1.51	-60.93
O=C(NCC1(NC(=O)C2=CC=CC(Cl)=C2[O-])CCCC1)C1=NSNC1=O	REAL300032404981	0	42	-1.0	-72.27	371.63	3.33	-68.94
CC1=CC(=O)C(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)=N[N-]1	REAL300032405004	0	43	-1.0	-59.40	369.52	1.47	-57.93
O=C(NCC1(NC(=O)C2=CC=CC(=O)N2[O-])CCCC1)C1=NSNC1=O	REAL300032405023	0	42	-1.0	-93.69	360.85	2.73	-90.96
N#CC1=CC=C(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)C(=O)[N-]1	REAL300032405044	0	42	-1.0	-43.13	370.60	-0.20	-43.33
CN1N=C(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)[N-]C1=O	REAL300032405085	0	41	-1.0	-60.72	357.38	-2.01	-62.73
N#CC1=CC=C([O-])C(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)=C1	REAL300032405131	0	43	-1.0	-62.18	375.71	3.28	-58.90
O=C(NCC1(NC(=O)C2=CN([O-])C(=O)NC2=O)CCCC1)C1=NSNC1=O	REAL300032405205	0	42	-1.0	-53.64	365.51	-0.52	-54.16
O=C(NCC1(NC(=O)C2=CC=C(F)C(O)=C2)CCCC1)C1=NSNC1=O	REAL300032405248	0	42	-1.0	-69.98	363.27	1.38	-68.60
O=C(NCC1(NC(=O)C2=CC=C(F)C([O-])=C2)CCCC1)C1=NSNC1=O	REAL300032405248	1	42	-1.0	-69.98	363.27	1.38	-68.60
O=C(NCC1(NC(=O)C2=CC=C(Cl)C=C2O)CCCC1)C1=NSNC1=O	REAL300032405263	0	42	-1.0	-69.66	371.60	3.38	-66.28
O=C(NCC1(NC(=O)C2=CC=C(Cl)C=C2[O-])CCCC1)C1=NSNC1=O	REAL300032405263	1	42	-1.0	-69.66	371.60	3.38	-66.28
O=C(NCC1(NC(=O)C2=NC(=O)[N-]C(=O)N2)CCCC1)C1=NSNC1=O	REAL300032405319	0	40	-1.0	-53.12	353.18	-5.25	-58.37
O=C(NCC1(NC(=O)C2=NC(=O)NC(=O)[N-]2)CCCC1)C1=NSNC1=O	REAL300032405319	1	40	-1.0	-49.13	353.83	-4.50	-53.63
NC1=NC=C(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)C(=O)[N-]1	REAL300032405362	1	42	-1.0	-49.16	358.45	-1.36	-50.52
O=C(NCC1(NC(=O)C2=CC=C(F)C([O-])=C2F)CCCC1)C1=NSNC1=O	REAL300032405392	0	42	-1.0	-73.42	367.62	1.48	-71.94
COC1=NC(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)=CC(=O)[N-]1	REAL300032405432	0	44	-1.0	-60.61	381.49	-4.18	-64.79
O=C(NCC1(NC(=O)C2=NC=CC(Cl)=C2[O-])CCCC1)C1=NSNC1=O	REAL300032405437	0	41	-1.0	-64.40	368.31	1.64	-62.76
O=C(NCC1(NC(=O)C2=CC=C(Cl)C([O-])=C2)CCCC1)C1=NSNC1=O	REAL300032405468	0	42	-1.0	-65.41	373.07	1.87	-63.54
O=C(NCC1(NC(=O)C2=CC=NC=C2[O-])CCCC1)C1=NSNC1=O	REAL300032405476	1	41	-1.0	-69.83	350.17	1.04	-68.79
O=C(NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCC1)C1=NSNC1=O	REAL300032405481	0	38	-1.0	-57.38	334.80	-1.74	-59.12
CC1=C([O-])N=C(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)S1	REAL300032405499	1	41	-1.0	-55.61	366.82	-2.10	-57.71
O=C(NC1(CNC(=O)C2=NSNC2=O)CCCC1)C(=O)C1=CC=C([O-])C=C1	REAL300032405582	1	44	-1.0	-58.05	377.49	1.10	-56.95
O=C(NCC1(NC(=O)C2=CN=C(C=N[O-])S2)CCCC1)C1=NSNC1=O	REAL300032405598	0	41	-1.0	-66.78	375.43	-0.62	-67.40
O=C(NCC1(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCCC1)C1=NSNC1=O	REAL300032405615	1	41	-1.0	-51.86	370.92	1.07	-50.79
O=C(NCC1(NC(=O)C2=CC(=O)NC([O-])=C2)CCCC1)C1=NSNC1=O	REAL300032405633	0	42	-1.0	-52.49	363.17	-3.02	-55.51
CCN1[N-]C(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)=CC1=O	REAL300032405687	0	45	-1.0	-57.46	384.60	0.44	-57.02
CN1[N-]C(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)=CC1=O	REAL300032405701	0	42	-1.0	-57.75	363.51	-0.50	-58.25
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=NSNC2=O)CCCC1	REAL300032405710	0	42	-1.0	-59.32	377.03	-2.35	-61.67
O=C(CC1=CC(=O)N[N-]1)NC1(CNC(=O)C2=NSNC2=O)CCCC1	REAL300032405812	1	42	-1.0	-66.74	360.72	-1.58	-68.32
O=C(NCC1(NC(=O)C2=CC=C([O-])C(F)=C2)CCCC1)C1=NSNC1=O	REAL300032405817	1	42	-1.0	-61.23	363.23	1.42	-59.81
O=C(NCC1(NC(=O)C2=CC(F)=C([O-])C(F)=C2)CCCC1)C1=NSNC1=O	REAL300032405853	0	42	-1.0	-59.04	369.44	1.50	-57.54
O=C(NCC1(NC(=O)C2=CC=NC(Cl)=C2[O-])CCCC1)C1=NSNC1=O	REAL300032405857	0	41	-1.0	-67.95	366.34	1.49	-66.46
CC1=C(CC(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)C(=O)N(C)[N-]1	REAL300032405871	0	48	-1.0	-67.11	403.53	0.83	-66.28
CC1=CN=C(C(=O)NC2(CNC(=O)C3=NSNC3=O)CCCC2)C([O-])=C1	REAL300032405906	1	44	-1.0	-69.85	373.55	1.76	-68.09
O=C(NC1(CNC(=O)C2=NSNC2=O)CCCC1)C1=CC([O-])=CS1	REAL300032405925	0	39	-1.0	-65.06	349.28	0.27	-64.79
O=C(NCC1(NC(=O)C2=CN([O-])C(=O)C=C2)CCCC1)C1=NSNC1=O	REAL300032405938	0	42	-1.0	-73.87	362.70	1.86	-72.01
CN1[N-]C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCCC2)=CC1=O	REAL300032406087	0	42	-1.0	-57.51	363.58	-0.61	-58.12
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=NSNC2=O)CCCC1	REAL300032406094	0	42	-1.0	-58.59	377.03	-2.47	-61.06
O=C(NC1(CNC(=O)C2=NC(=O)[N-]C(=O)N2)CCCC1)C1=NSNC1=O	REAL300032406243	0	40	-1.0	-52.04	353.17	-5.37	-57.41
O=C(NC1(CNC(=O)C2=NC(=O)NC(=O)[N-]2)CCCC1)C1=NSNC1=O	REAL300032406243	1	40	-1.0	-48.59	353.82	-4.60	-53.19
O=C(CN1[N-]C(=O)C=CC1=O)NCC1(NC(=O)C2=NSNC2=O)CCCC1	REAL300032406382	0	44	-1.0	-65.24	382.59	-1.73	-66.97
O=C(NCC1(NC(=O)C2=NSNC2=O)CCCC1)C1=CC(=O)[N-]O1	REAL300032406389	0	38	-1.0	-56.38	334.79	-1.82	-58.20
O=C(NC1(CNC(=O)C2=CN([O-])C(=O)NC2=O)CCCC1)C1=NSNC1=O	REAL300032406400	0	42	-1.0	-53.97	365.54	-0.60	-54.57
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=NNC(=O)[N-]C1=O)CC2	REAL300032407225	0	41	-1.0	-59.49	353.02	-1.73	-61.22
O=C(CN1C(=O)[N-]NC1=O)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)CC1	REAL300032407276	0	43	-1.0	-62.42	370.00	-0.23	-62.65
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CN([O-])C(=O)C=C1)CC2	REAL300032407656	0	43	-1.0	-70.94	371.33	4.10	-66.84
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)NC([O-])=C1)CC2	REAL300032407735	0	43	-1.0	-54.17	371.60	-0.77	-54.94
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=COC(=O)[N-]1)CC2	REAL300032407746	1	39	-1.0	-50.77	336.06	0.56	-50.21
CCN1[N-]C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)CC2)=CC1=O	REAL300032407863	0	46	-1.0	-58.21	385.81	3.13	-55.08
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)CC1	REAL300032407870	1	43	-1.0	-63.21	365.12	0.88	-62.33
CN1N=C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)CC2)[N-]C1=O	REAL300032407893	0	42	-1.0	-61.26	358.48	0.65	-60.61
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=C[N-]N=CC1=O)CC2	REAL300032407950	0	41	-1.0	-55.00	354.50	1.96	-53.04
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)N[N-]1)CC2	REAL300032408015	0	40	-1.0	-54.80	340.93	0.48	-54.32
C[PH](C)([O-])C(=O)C(=O)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)CC1	REAL300032408020	0	45	-1.0	-53.38	380.06	1.33	-52.05
CN1[N-]C(CC(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)CC2)=CC1=O	REAL300032408022	0	46	-1.0	-67.64	387.75	2.58	-65.06
O=C(CCC1=NC(=O)[N-]N1)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)CC1	REAL300032408041	1	45	-1.0	-64.32	380.42	-0.09	-64.41
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=CN([O-])C1=O)CC2	REAL300032408044	0	43	-1.0	-81.87	370.78	4.09	-77.78
CC1=C([O-])N=C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)CC2)S1	REAL300032408065	1	42	-1.0	-62.48	368.04	1.28	-61.20
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)N([O-])C=C1)CC2	REAL300032408081	0	43	-1.0	-67.20	372.25	4.15	-63.05
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=CC(=O)N1[O-])CC2	REAL300032408106	0	43	-1.0	-74.09	371.09	3.89	-70.20
O=C(CC1=NC([O-])=CS1)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)CC1	REAL300032408220	0	42	-1.0	-77.43	370.85	0.14	-77.29
CC1=CC(=O)C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)CC2)=N[N-]1	REAL300032408374	0	44	-1.0	-57.71	370.17	4.15	-53.56
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=NC(=O)N[N-]1)CC2	REAL300032408384	0	39	-1.0	-55.31	336.02	-0.14	-55.45
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=NC=CC=C3[O-])C2)CC1	REAL300032408726	1	42	-1.0	-70.83	353.40	3.96	-66.87
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)CC1	REAL300032408824	0	41	-1.0	-58.01	352.97	-1.66	-59.67
O=C(CN1C(=O)[N-]NC1=O)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)CC2	REAL300032408916	0	43	-1.0	-58.09	369.66	-0.05	-58.14
N#CC1=CC([O-])=CC(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)CC3)=C1	REAL300032409726	1	44	-1.0	-50.60	377.54	3.79	-46.81
O=C(C1=COC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)CC2	REAL300032409793	1	39	-1.0	-52.87	336.86	-0.15	-53.02
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC=C([O-])C=C3F)C2)CC1	REAL300032409862	1	43	-1.0	-57.02	363.15	3.57	-53.45
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC([O-])=CC(=O)O3)C2)CC1	REAL300032409866	0	42	-1.0	-54.10	362.20	2.94	-51.16
N#CC1=CC=C(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)CC3)C=C1[O-]	REAL300032409869	1	44	-1.0	-61.73	376.48	3.83	-57.90
CC1=CC=C([O-])C(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)CC3)=N1	REAL300032409920	1	45	-1.0	-65.63	374.98	4.59	-61.04
O=C(CCC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)CC2	REAL300032409921	0	45	-1.0	-56.71	380.01	0.57	-56.14
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CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC(Cl)=NC=C1[O-]	REAL300032441197	0	41	-1.0	-53.18	360.03	3.19	-49.99
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)CN1N=CC(=O)[N-]C1=O	REAL300032441213	0	43	-1.0	-63.07	372.34	-2.37	-65.44
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=C[N-]N=CC1=O	REAL300032441291	0	40	-1.0	-42.03	336.85	1.72	-40.31
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=CC(F)=C1[O-]	REAL300032441300	0	42	-1.0	-65.56	358.11	4.24	-61.32
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=CC([O-])=C1F	REAL300032441386	1	42	-1.0	-64.71	358.43	2.63	-62.08
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC(=O)N[N-]1	REAL300032441484	0	39	-1.0	-52.51	336.32	-0.85	-53.36
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300032441490	0	44	-1.0	-46.35	366.78	1.07	-45.28
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300032441577	0	42	-1.0	-67.92	359.56	3.25	-64.67
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=NNC(=O)[N-]1	REAL300032441601	0	38	-1.0	-55.51	327.13	-1.91	-57.42
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=C(O)C=CC=C1Cl	REAL300032441604	0	42	-1.0	-53.01	369.27	3.31	-49.70
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=C([O-])C=CC=C1Cl	REAL300032441604	1	42	-1.0	-53.01	369.27	3.31	-49.70
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=CN([O-])C1=O	REAL300032441608	0	42	-1.0	-62.69	352.65	3.78	-58.91
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=C(F)C=CC(O)=C1F	REAL300032441637	0	42	-1.0	-53.81	369.65	2.63	-51.18
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=C(F)C=CC([O-])=C1F	REAL300032441637	1	42	-1.0	-53.81	369.65	2.63	-51.18
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC(F)=CC=C1O	REAL300032441772	0	42	-1.0	-55.93	354.29	4.64	-51.29
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC(F)=CC=C1[O-]	REAL300032441772	1	42	-1.0	-55.93	354.29	4.64	-51.29
CC1=CC=NC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2C)=C1O	REAL300032441835	0	44	-1.0	-58.64	364.99	3.67	-54.97
CC1=CC=NC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2C)=C1[O-]	REAL300032441835	1	44	-1.0	-58.64	364.99	3.67	-54.97
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CN=CC(O)=C1	REAL300032441939	0	41	-1.0	-59.58	348.58	0.91	-58.67
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CN=CC([O-])=C1	REAL300032441939	1	41	-1.0	-59.58	348.58	0.91	-58.67
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=CC(=S)N1[O-]	REAL300032441949	0	42	-1.0	-81.39	364.25	5.56	-75.83
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=C([O-])C(Cl)=N1	REAL300032442056	0	41	-1.0	-49.27	366.68	1.43	-47.84
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=C([O-])C=C1Cl	REAL300032442094	1	42	-1.0	-52.02	362.10	3.62	-48.40
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)CC1=NC([O-])=CS1	REAL300032442105	0	41	-1.0	-69.36	363.06	-0.92	-70.28
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=C([O-])C=CC=C1F	REAL300032442120	1	42	-1.0	-55.78	359.78	2.93	-52.85
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300032442122	0	44	-1.0	-54.96	378.33	-0.25	-55.21
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=C(F)C=C1[O-]	REAL300032442123	0	42	-1.0	-59.07	353.85	4.76	-54.31
CC1=CC=C(F)C([O-])=C1C(=O)NC1CCN(C(=O)C2=NSNC2=O)CC1C	REAL300032442153	0	45	-1.0	-60.57	377.28	3.54	-57.03
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)CC1SC(=O)[N-]C1=O	REAL300032442215	0	42	-1.0	-53.78	370.35	-1.67	-55.45
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=C([O-])C(F)=C1F	REAL300032442240	0	42	-1.0	-55.66	360.64	3.13	-52.53
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=CC(Cl)=C1[O-]	REAL300032442246	0	42	-1.0	-60.21	367.92	4.70	-55.51
CC1=CC(=O)C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2C)=N[N-]1	REAL300032442274	0	43	-1.0	-51.46	365.82	2.83	-48.63
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300032442299	0	42	-1.0	-77.63	353.13	4.51	-73.12
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=C(C#N)[N-]C1=O	REAL300032442327	0	42	-1.0	-45.12	362.32	1.55	-43.57
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300032442373	0	41	-1.0	-59.06	353.89	-0.61	-59.67
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=C(F)C=CC(O)=C1O	REAL300032442422	0	43	-1.0	-55.99	374.01	0.73	-55.26
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300032442422	1	43	-1.0	-55.99	374.01	0.73	-55.26
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC(C#N)=CC=C1[O-]	REAL300032442431	0	43	-1.0	-53.57	368.70	5.00	-48.57
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300032442514	0	42	-1.0	-50.58	362.46	0.78	-49.80
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=C(F)C(O)=C1	REAL300032442565	0	42	-1.0	-54.84	359.76	2.75	-52.09
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=C(F)C([O-])=C1	REAL300032442565	1	42	-1.0	-54.84	359.76	2.75	-52.09
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C(F)(F)C(F)(F)F	REAL300032442575	0	37	-1.0	-40.64	333.30	1.95	-38.69
CC1CN(C(=O)C2=NSNC2=O)CCC1[N-]C(=O)C(F)(F)C(F)(F)F	REAL300032442575	1	37	-1.0	-40.64	333.30	1.95	-38.69
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=C(Cl)C=C1O	REAL300032442583	0	42	-1.0	-58.66	364.17	5.21	-53.45
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=C(Cl)C=C1[O-]	REAL300032442583	1	42	-1.0	-58.66	364.17	5.21	-53.45
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300032442650	0	40	-1.0	-54.05	345.76	-3.50	-57.55
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300032442650	1	40	-1.0	-45.52	346.38	-2.74	-48.26
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CN=C(N)[N-]C1=O	REAL300032442704	1	42	-1.0	-49.80	351.40	0.34	-49.46
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=C(F)C([O-])=C1F	REAL300032442737	0	42	-1.0	-63.73	360.61	3.11	-60.62
COC1=NC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2C)=CC(=O)[N-]1	REAL300032442779	0	44	-1.0	-57.47	373.36	-2.43	-59.90
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=NC=CC(Cl)=C1[O-]	REAL300032442788	0	41	-1.0	-55.34	360.88	3.50	-51.84
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=C(Cl)C([O-])=C1	REAL300032442826	0	42	-1.0	-50.96	369.56	3.24	-47.72
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=NC=C1[O-]	REAL300032442835	1	41	-1.0	-58.84	343.16	2.77	-56.07
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300032442841	0	38	-1.0	-53.72	331.74	-0.45	-54.17
CC1=C([O-])N=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2C)S1	REAL300032442863	1	41	-1.0	-55.58	359.38	-0.33	-55.91
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C(=O)C1=CC=C([O-])C=C1	REAL300032442955	1	44	-1.0	-53.13	373.54	2.53	-50.60
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CN=C(C=N[O-])S1	REAL300032442974	0	41	-1.0	-63.66	368.43	1.03	-62.63
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300032442995	1	41	-1.0	-45.52	362.76	2.85	-42.67
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300032443015	0	42	-1.0	-49.35	359.65	-1.66	-51.01
CCN1[N-]C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2C)=CC1=O	REAL300032443072	0	45	-1.0	-56.02	380.86	1.79	-54.23
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300032443091	0	42	-1.0	-55.17	359.05	0.86	-54.31
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300032443101	0	42	-1.0	-54.98	373.53	-1.00	-55.98
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)CC1=CC(=O)N[N-]1	REAL300032443228	1	42	-1.0	-57.92	357.23	-0.20	-58.12
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300032443233	1	42	-1.0	-54.95	359.72	2.79	-52.16
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300032443279	0	42	-1.0	-58.34	365.70	2.84	-55.50
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=NC(Cl)=C1[O-]	REAL300032443284	0	41	-1.0	-57.26	359.34	3.22	-54.04
CC1=C(CC(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2C)C(=O)N(C)[N-]1	REAL300032443299	0	48	-1.0	-61.72	395.87	2.56	-59.16
CC1=CN=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2C)C([O-])=C1	REAL300032443335	1	44	-1.0	-66.14	370.06	3.24	-62.90
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC([O-])=CS1	REAL300032443356	0	39	-1.0	-58.69	342.28	1.91	-56.78
CC1CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300032443372	0	42	-1.0	-66.24	355.25	3.65	-62.59
CC1CN(C(=O)C2=CC(=O)N(C)[N-]2)CCC1NC(=O)C1=NSNC1=O	REAL300032443524	0	42	-1.0	-53.97	358.82	0.92	-53.05
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=NSNC1=O	REAL300032443531	0	42	-1.0	-55.68	376.33	-1.15	-56.83
CC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCC1NC(=O)C1=NSNC1=O	REAL300032443680	0	40	-1.0	-49.57	345.83	-2.94	-52.51
CC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCC1NC(=O)C1=NSNC1=O	REAL300032443680	1	40	-1.0	-44.52	346.40	-2.16	-46.68
CC1CN(C(=O)CN2[N-]C(=O)C=CC2=O)CCC1NC(=O)C1=NSNC1=O	REAL300032443819	0	44	-1.0	-57.34	381.16	-0.51	-57.85
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1NC(=O)C1=NSNC1=O	REAL300032443826	0	38	-1.0	-54.31	331.05	-0.82	-55.13
CC1CN(C(=O)C2=CN([O-])C(=O)NC2=O)CCC1NC(=O)C1=NSNC1=O	REAL300032443837	0	42	-1.0	-54.48	371.25	0.24	-54.24
O=C(NCCC1CCCCN1C(=O)C1=NNC(=O)[N-]C1=O)C1=NSNC1=O	REAL300032444530	0	43	-1.0	-54.25	362.44	-2.74	-56.99
O=C(CN1C(=O)[N-]NC1=O)N1CCCCC1CCNC(=O)C1=NSNC1=O	REAL300032444572	0	45	-1.0	-54.78	379.17	-1.11	-55.89
O=C(NCCC1CCCCN1C(=O)C1=CN([O-])C(=O)C=C1)C1=NSNC1=O	REAL300032444855	0	45	-1.0	-66.98	374.22	3.02	-63.96
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)NC([O-])=C1)C1=NSNC1=O	REAL300032444919	0	45	-1.0	-48.66	374.64	-1.90	-50.56
O=C(NCCC1CCCCN1C(=O)C1=COC(=O)[N-]1)C1=NSNC1=O	REAL300032444930	1	41	-1.0	-48.79	345.17	-0.32	-49.11
CCN1[N-]C(C(=O)N2CCCCC2CCNC(=O)C2=NSNC2=O)=CC1=O	REAL300032445023	0	48	-1.0	-52.66	395.55	2.24	-50.42
O=C(CC1=CC(=O)N[N-]1)N1CCCCC1CCNC(=O)C1=NSNC1=O	REAL300032445029	1	45	-1.0	-56.97	374.25	-0.04	-57.01
CN1N=C(C(=O)N2CCCCC2CCNC(=O)C2=NSNC2=O)[N-]C1=O	REAL300032445045	0	44	-1.0	-56.06	368.29	-0.24	-56.30
O=C(NCCC1CCCCN1C(=O)C1=C[N-]N=CC1=O)C1=NSNC1=O	REAL300032445089	0	43	-1.0	-44.85	358.95	1.05	-43.80
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)N[N-]1)C1=NSNC1=O	REAL300032445140	0	42	-1.0	-49.55	350.73	-0.40	-49.95
C[PH](C)([O-])C(=O)C(=O)N1CCCCC1CCNC(=O)C1=NSNC1=O	REAL300032445144	0	47	-1.0	-48.41	389.70	0.52	-47.89
O=C(NCCC1CCCCN1C(=O)C1=CC=CN([O-])C1=O)C1=NSNC1=O	REAL300032445163	0	45	-1.0	-65.01	375.51	3.07	-61.94
CC1SC(C(=O)N2CCCCC2CCNC(=O)C2=NSNC2=O)=NC1=O	REAL300032445181	0	44	-1.0	-55.45	378.02	0.39	-55.06
CC1=C([O-])N=C(C(=O)N2CCCCC2CCNC(=O)C2=NSNC2=O)S1	REAL300032445181	1	44	-1.0	-55.45	378.02	0.39	-55.06
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)N([O-])C=C1)C1=NSNC1=O	REAL300032445192	0	45	-1.0	-67.37	374.49	3.00	-64.37
O=C(NCCC1CCCCN1C(=O)C1=CC=CC(=O)N1[O-])C1=NSNC1=O	REAL300032445211	0	45	-1.0	-79.48	373.82	3.67	-75.81
O=C(CC1=NC([O-])=CS1)N1CCCCC1CCNC(=O)C1=NSNC1=O	REAL300032445295	0	44	-1.0	-67.16	380.68	-0.72	-67.88
CC1=CC(=O)C(C(=O)N2CCCCC2CCNC(=O)C2=NSNC2=O)=N[N-]1	REAL300032445414	0	46	-1.0	-51.50	379.61	3.12	-48.38
O=C(NCCC1CCCCN1C(=O)C1=NNC(=O)[N-]1)C1=NSNC1=O	REAL300032445422	0	41	-1.0	-53.12	345.72	-1.87	-54.99
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=NC=CC=C1O	REAL300032445738	0	44	-1.0	-66.77	362.91	2.86	-63.91
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=NC=CC=C1[O-]	REAL300032445738	1	44	-1.0	-66.77	362.91	2.86	-63.91
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=NNC(=O)[N-]C1=O	REAL300032445827	0	43	-1.0	-57.19	362.35	-2.66	-59.85
O=C(CN1C(=O)[N-]NC1=O)NCCC1CCCCN1C(=O)C1=NSNC1=O	REAL300032445914	0	45	-1.0	-58.19	376.45	-1.00	-59.19
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300032446710	1	41	-1.0	-57.32	346.04	-1.59	-58.91
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C([O-])C=C1F	REAL300032446772	1	45	-1.0	-56.85	372.39	3.02	-53.83
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC([O-])=CC(=O)O1	REAL300032446775	0	44	-1.0	-55.31	371.18	2.16	-53.15
O=C(CCC1=NC(=O)[N-]N1)NCCC1CCCCN1C(=O)C1=NSNC1=O	REAL300032446823	1	47	-1.0	-64.23	386.79	-0.93	-65.16
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=C[N-]N=CC1=O	REAL300032446832	0	43	-1.0	-51.82	355.09	1.56	-50.26
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CC(F)=C1[O-]	REAL300032446839	0	45	-1.0	-69.43	371.93	4.62	-64.81
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CC([O-])=C1F	REAL300032446894	1	45	-1.0	-66.53	372.25	3.00	-63.53
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300032446959	0	42	-1.0	-54.75	350.86	-0.60	-55.35
C[PH](C)([O-])C(=O)C(=O)NCCC1CCCCN1C(=O)C1=NSNC1=O	REAL300032446964	0	47	-1.0	-50.93	395.83	-0.83	-51.76
CN1[N-]C(CC(=O)NCCC2CCCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300032446968	0	48	-1.0	-62.68	394.36	1.75	-60.93
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)N([O-])C=C1	REAL300032447010	0	45	-1.0	-68.40	373.87	3.46	-64.94
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=NC(=O)N[N-]1	REAL300032447025	0	41	-1.0	-56.04	345.45	-1.89	-57.93
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CN([O-])C1=O	REAL300032447029	0	45	-1.0	-73.14	371.44	3.66	-69.48
NC1=CC(=O)[N-]C(C(=O)NCCC2CCCCN2C(=O)C2=NSNC2=O)=N1	REAL300032447102	0	45	-1.0	-61.81	375.03	-1.16	-62.97
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC(F)=CC=C1[O-]	REAL300032447126	1	45	-1.0	-62.05	372.12	4.62	-57.43
CC1=CC=NC(C(=O)NCCC2CCCCN2C(=O)C2=NSNC2=O)=C1[O-]	REAL300032447167	1	47	-1.0	-66.81	383.24	3.56	-63.25
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=CN=CC([O-])=C1	REAL300032447222	1	44	-1.0	-58.40	362.87	1.12	-57.28
O=C(CC1=NC([O-])=CS1)NCCC1CCCCN1C(=O)C1=NSNC1=O	REAL300032447301	0	44	-1.0	-70.21	377.38	-0.68	-70.89
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=C([O-])C=CC=C1F	REAL300032447312	1	45	-1.0	-64.36	377.61	2.90	-61.46
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C(F)C=C1[O-]	REAL300032447313	0	45	-1.0	-63.82	372.11	4.63	-59.19
CC1=CC(=O)C(C(=O)NCCC2CCCCN2C(=O)C2=NSNC2=O)=N[N-]1	REAL300032447397	0	46	-1.0	-58.86	379.60	3.21	-55.65
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CC(=O)N1[O-]	REAL300032447412	0	45	-1.0	-80.95	370.94	4.48	-76.47
CN1N=C(C(=O)NCCC2CCCCN2C(=O)C2=NSNC2=O)[N-]C1=O	REAL300032447454	0	44	-1.0	-60.20	368.05	-0.39	-60.59
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C(F)C([O-])=C1	REAL300032447569	1	45	-1.0	-60.99	374.07	2.97	-58.02
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=NC(=O)[N-]C(=O)N1	REAL300032447616	0	43	-1.0	-51.98	364.63	-2.90	-54.88
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=NC(=O)NC(=O)[N-]1	REAL300032447616	1	43	-1.0	-51.98	364.63	-2.90	-54.88
NC1=NC=C(C(=O)NCCC2CCCCN2C(=O)C2=NSNC2=O)C(=O)N1	REAL300032447651	0	45	-1.0	-59.93	369.65	0.30	-59.63
NC1=NC=C(C(=O)NCCC2CCCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032447651	1	45	-1.0	-59.93	369.65	0.30	-59.63
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=NC=C1O	REAL300032447727	0	44	-1.0	-63.78	360.99	2.75	-61.03
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=NC=C1[O-]	REAL300032447727	1	44	-1.0	-63.78	360.99	2.75	-61.03
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300032447732	0	41	-1.0	-58.20	345.61	-0.12	-58.32
CC1SC(C(=O)NCCC2CCCCN2C(=O)C2=NSNC2=O)=NC1=O	REAL300032447747	0	44	-1.0	-63.78	377.34	-0.46	-64.24
CC1=C([O-])N=C(C(=O)NCCC2CCCCN2C(=O)C2=NSNC2=O)S1	REAL300032447747	1	44	-1.0	-63.78	377.34	-0.46	-64.24
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)NC([O-])=C1	REAL300032447839	0	45	-1.0	-53.30	373.96	-1.43	-54.73
CCN1[N-]C(C(=O)NCCC2CCCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300032447877	0	48	-1.0	-58.11	395.41	2.04	-56.07
CN1[N-]C(C(=O)NCCC2CCCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300032447893	0	45	-1.0	-57.32	373.68	1.11	-56.21
O=C(CC1=CC(=O)N[N-]1)NCCC1CCCCN1C(=O)C1=NSNC1=O	REAL300032447971	1	45	-1.0	-60.31	371.53	0.03	-60.28
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C([O-])C(F)=C1	REAL300032447975	1	45	-1.0	-58.26	374.03	3.01	-55.25
CC1=CN=C(C(=O)NCCC2CCCCN2C(=O)C2=NSNC2=O)C([O-])=C1	REAL300032448031	1	47	-1.0	-68.23	384.29	3.50	-64.73
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=CC([O-])=CS1	REAL300032448043	0	42	-1.0	-62.01	360.11	1.87	-60.14
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=CN([O-])C(=O)C=C1	REAL300032448054	0	45	-1.0	-67.74	373.50	3.46	-64.28
CN1[N-]C(C(=O)N2CCCCC2CCNC(=O)C2=NSNC2=O)=CC1=O	REAL300032448137	0	45	-1.0	-52.02	373.35	1.29	-50.73
O=C(NCCC1CCCCN1C(=O)C1=NC(=O)[N-]C(=O)N1)C1=NSNC1=O	REAL300032448205	0	43	-1.0	-45.31	364.42	-2.08	-47.39
O=C(NCCC1CCCCN1C(=O)C1=NC(=O)NC(=O)[N-]1)C1=NSNC1=O	REAL300032448205	1	43	-1.0	-45.31	364.42	-2.08	-47.39
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=NSNC1=O	REAL300032448294	0	41	-1.0	-54.69	345.59	-0.36	-55.05
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300032449037	0	43	-1.0	-55.47	366.23	-2.38	-57.85
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300032449086	0	45	-1.0	-56.27	377.76	-1.12	-57.39
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300032449432	0	45	-1.0	-67.02	377.64	3.18	-63.84
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300032449507	0	45	-1.0	-49.45	384.55	-1.44	-50.89
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300032449518	1	41	-1.0	-49.58	349.63	-0.11	-49.69
CCN1[N-]C(C(=O)N2CCCC(C(C)NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032449623	0	48	-1.0	-53.65	399.06	2.48	-51.17
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300032449630	1	45	-1.0	-59.17	378.20	0.20	-58.97
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300032449649	0	44	-1.0	-56.47	366.28	-0.26	-56.73
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300032449701	0	43	-1.0	-48.19	363.04	1.10	-47.09
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300032449759	0	42	-1.0	-49.89	348.92	-0.44	-50.33
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300032449764	0	47	-1.0	-49.50	388.94	1.24	-48.26
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300032449784	0	45	-1.0	-75.79	383.78	3.46	-72.33
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NC(=O)C(C)S2)C1	REAL300032449803	0	44	-1.0	-55.38	381.51	0.59	-54.79
CC1=C([O-])N=C(C(=O)N2CCCC(C(C)NC(=O)C3=NSNC3=O)C2)S1	REAL300032449803	1	44	-1.0	-55.38	381.51	0.59	-54.79
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300032449818	0	45	-1.0	-60.99	374.33	3.02	-57.97
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300032449840	0	45	-1.0	-78.12	377.37	2.96	-75.16
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300032449942	0	44	-1.0	-70.40	384.08	-0.50	-70.90
CC1=CC(=O)C(C(=O)N2CCCC(C(C)NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032450081	0	46	-1.0	-53.10	383.44	3.51	-49.59
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300032450091	0	41	-1.0	-48.55	349.12	-0.82	-49.37
CC(NC(=O)C1=NC=CC=C1[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032450426	1	44	-1.0	-69.71	366.83	3.21	-66.50
CC(NC(=O)C1=NNC(=O)[N-]C1=O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032450515	0	43	-1.0	-60.35	361.34	-2.66	-63.01
CC(NC(=O)CN1C(=O)[N-]NC1=O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032450602	0	45	-1.0	-61.70	380.46	-0.62	-62.32
CC(NC(=O)C1=COC(=O)[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032451398	1	41	-1.0	-61.90	344.16	-1.48	-63.38
CC(NC(=O)C1=CC=C([O-])C=C1F)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032451460	1	45	-1.0	-60.57	371.30	3.16	-57.41
CC(NC(=O)C1=CC([O-])=CC(=O)O1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032451463	0	44	-1.0	-60.00	370.10	2.18	-57.82
CC(NC(=O)C1=C[N-]N=CC1=O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032451520	0	43	-1.0	-55.05	353.92	1.58	-53.47
CC(NC(=O)C1=CC=CC(F)=C1[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032451527	0	45	-1.0	-71.67	370.85	4.74	-66.93
CC(NC(=O)C1=CC=CC([O-])=C1F)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032451582	1	45	-1.0	-69.43	371.17	3.13	-66.30
CC(NC(=O)C1=CC(=O)N[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032451647	0	42	-1.0	-59.45	354.77	-0.21	-59.66
CC(NC(=O)C(=O)[PH](C)(C)[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032451652	0	47	-1.0	-58.24	388.67	1.27	-56.97
CC(NC(=O)C1=CC(=O)N([O-])C=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032451698	0	45	-1.0	-71.68	372.79	3.48	-68.20
CC(NC(=O)C1=NC(=O)N[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032451713	0	41	-1.0	-60.51	344.37	-1.89	-62.40
CC(NC(=O)C1=CC=CN([O-])C1=O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032451717	0	45	-1.0	-77.63	369.82	3.68	-73.95
CC(NC(=O)C1=CC(F)=CC=C1O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032451814	0	45	-1.0	-64.36	371.01	4.61	-59.75
CC(NC(=O)C1=CC(F)=CC=C1[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032451814	1	45	-1.0	-64.36	371.01	4.61	-59.75
CC1=CC=NC(C(=O)NC(C)C2CCCN(C(=O)C3=NSNC3=O)C2)=C1O	REAL300032451855	0	47	-1.0	-68.96	381.37	3.63	-65.33
CC1=CC=NC(C(=O)NC(C)C2CCCN(C(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300032451855	1	47	-1.0	-68.96	381.37	3.63	-65.33
CC(NC(=O)C1=CN=CC(O)=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032451910	0	44	-1.0	-62.27	361.81	1.27	-61.00
CC(NC(=O)C1=CN=CC([O-])=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032451910	1	44	-1.0	-62.27	361.81	1.27	-61.00
CC(NC(=O)CC1=NC([O-])=CS1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032451989	0	44	-1.0	-73.32	381.74	-0.41	-73.73
CC(NC(=O)C1=C([O-])C=CC=C1F)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452000	1	45	-1.0	-65.95	376.42	2.92	-63.03
CC(NC(=O)C1=CC=C(F)C=C1[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452001	0	45	-1.0	-66.40	371.02	4.75	-61.65
CC1=CC(=O)C(C(=O)NC(C)C2CCCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032452085	0	46	-1.0	-61.90	378.50	3.19	-58.71
CC(NC(=O)C1=CC=CC(=O)N1[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452100	0	45	-1.0	-82.99	369.72	4.58	-78.41
CC(NC(=O)C1=NN(C)C(=O)[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452142	0	44	-1.0	-65.00	372.03	-0.01	-65.01
CC(NC(=O)C1=CC=C(F)C([O-])=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452257	1	45	-1.0	-66.46	372.99	3.00	-63.46
CC(NC(=O)C1=NC(=O)[N-]C(=O)N1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452304	0	43	-1.0	-57.09	368.55	-2.51	-59.60
CC(NC(=O)C1=NC(=O)NC(=O)[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452304	1	43	-1.0	-57.09	368.55	-2.51	-59.60
CC(NC(=O)C1=CN=C(N)NC1=O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452339	0	45	-1.0	-63.12	367.92	0.38	-62.74
CC(NC(=O)C1=CN=C(N)[N-]C1=O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452339	1	45	-1.0	-63.12	367.92	0.38	-62.74
CC(NC(=O)C1=CC=NC=C1O)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452415	0	44	-1.0	-66.49	359.90	2.86	-63.63
CC(NC(=O)C1=CC=NC=C1[O-])C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452415	1	44	-1.0	-66.49	359.90	2.86	-63.63
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452420	0	41	-1.0	-63.43	349.52	0.28	-63.15
CC(NC(=O)C1=NC(=O)C(C)S1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452435	0	44	-1.0	-68.90	376.32	-0.47	-69.37
CC1=C([O-])N=C(C(=O)NC(C)C2CCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300032452435	1	44	-1.0	-68.90	376.32	-0.47	-69.37
CC(NC(=O)C1=CC(=O)NC([O-])=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452527	0	45	-1.0	-57.61	372.88	-1.42	-59.03
CCN1[N-]C(C(=O)NC(C)C2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032452565	0	48	-1.0	-62.61	399.32	2.43	-60.18
CC(NC(=O)C1=CC(=O)N(C)[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452581	0	45	-1.0	-60.80	372.59	1.13	-59.67
CC(NC(=O)CC1=CC(=O)NN1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452659	0	45	-1.0	-63.64	375.44	0.41	-63.23
CC(NC(=O)CC1=CC(=O)N[N-]1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452659	1	45	-1.0	-63.64	375.44	0.41	-63.23
CC(NC(=O)C1=CC=C(O)C(F)=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452663	0	45	-1.0	-62.17	372.95	3.03	-59.14
CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452663	1	45	-1.0	-62.17	372.95	3.03	-59.14
CC1=CN=C(C(=O)NC(C)C2CCCN(C(=O)C3=NSNC3=O)C2)C(O)=C1	REAL300032452719	0	47	-1.0	-70.12	383.28	3.48	-66.64
CC1=CN=C(C(=O)NC(C)C2CCCN(C(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300032452719	1	47	-1.0	-70.12	383.28	3.48	-66.64
CC(NC(=O)C1=CC([O-])=CS1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452731	0	42	-1.0	-65.92	359.02	1.99	-63.93
CC(NC(=O)C1=CN([O-])C(=O)C=C1)C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032452742	0	45	-1.0	-71.12	372.43	3.63	-67.49
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300032452833	0	45	-1.0	-52.88	377.25	1.54	-51.34
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300032452918	0	43	-1.0	-51.96	367.82	-2.62	-54.58
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300032452918	1	43	-1.0	-47.91	366.61	-3.38	-51.29
CC(NC(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300032453019	0	41	-1.0	-54.89	343.66	-0.46	-55.35
CC1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1CNC(=O)C1=NSNC1=O	REAL300032453694	0	43	-1.0	-61.05	359.31	-2.11	-63.16
CC1CCCN(C(=O)CN2C(=O)[N-]NC2=O)C1CNC(=O)C1=NSNC1=O	REAL300032453736	0	45	-1.0	-55.76	372.71	-0.02	-55.78
CC1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1CNC(=O)C1=NSNC1=O	REAL300032454019	0	45	-1.0	-73.34	372.50	3.90	-69.44
CC1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1CNC(=O)C1=NSNC1=O	REAL300032454083	0	45	-1.0	-53.01	372.83	-1.04	-54.05
CC1CCCN(C(=O)C2=COC(=O)[N-]2)C1CNC(=O)C1=NSNC1=O	REAL300032454094	1	41	-1.0	-50.96	340.96	0.47	-50.49
CCN1[N-]C(C(=O)N2CCCC(C)C2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300032454187	0	48	-1.0	-58.08	390.39	2.99	-55.09
CC1CCCN(C(=O)CC2=CC(=O)N[N-]2)C1CNC(=O)C1=NSNC1=O	REAL300032454193	1	45	-1.0	-62.89	367.70	1.07	-61.82
CC1CCCN(C(=O)C2=NN(C)C(=O)[N-]2)C1CNC(=O)C1=NSNC1=O	REAL300032454209	0	44	-1.0	-61.73	363.30	0.52	-61.21
CC1CCCN(C(=O)C2=C[N-]N=CC2=O)C1CNC(=O)C1=NSNC1=O	REAL300032454253	0	43	-1.0	-46.12	354.54	1.82	-44.30
CC1CCCN(C(=O)C2=CC(=O)N[N-]2)C1CNC(=O)C1=NSNC1=O	REAL300032454304	0	42	-1.0	-54.62	345.84	0.35	-54.27
CC1CCCN(C(=O)C(=O)[PH](C)(C)[O-])C1CNC(=O)C1=NSNC1=O	REAL300032454308	0	47	-1.0	-52.36	375.86	1.64	-50.72
CC1CCCN(C(=O)C2=CC=CN([O-])C2=O)C1CNC(=O)C1=NSNC1=O	REAL300032454327	0	45	-1.0	-60.62	369.29	3.78	-56.84
CC1SC(C(=O)N2CCCC(C)C2CNC(=O)C2=NSNC2=O)=NC1=O	REAL300032454345	0	44	-1.0	-56.47	372.84	1.15	-55.32
CC1=C([O-])N=C(C(=O)N2CCCC(C)C2CNC(=O)C2=NSNC2=O)S1	REAL300032454345	1	44	-1.0	-56.47	372.84	1.15	-55.32
CC1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1CNC(=O)C1=NSNC1=O	REAL300032454356	0	45	-1.0	-73.01	372.71	3.88	-69.13
CC1CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1CNC(=O)C1=NSNC1=O	REAL300032454375	0	45	-1.0	-91.00	371.23	4.23	-86.77
CC1CCCN(C(=O)CC2=NC([O-])=CS2)C1CNC(=O)C1=NSNC1=O	REAL300032454459	0	44	-1.0	-76.14	373.55	0.37	-75.77
CC1=CC(=O)C(C(=O)N2CCCC(C)C2CNC(=O)C2=NSNC2=O)=N[N-]1	REAL300032454578	0	46	-1.0	-57.71	376.52	3.73	-53.98
CC1CCCN(C(=O)C2=NNC(=O)[N-]2)C1CNC(=O)C1=NSNC1=O	REAL300032454586	0	41	-1.0	-57.50	340.82	-1.06	-58.56
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=NC=CC=C1O	REAL300032454902	0	44	-1.0	-78.88	359.37	3.37	-75.51
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=NC=CC=C1[O-]	REAL300032454902	1	44	-1.0	-78.88	359.37	3.37	-75.51
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300032454991	0	43	-1.0	-65.52	357.89	-1.89	-67.41
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)CN1C(=O)[N-]NC1=O	REAL300032455078	0	45	-1.0	-69.91	372.99	-0.49	-70.40
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=COC(=O)[N-]1	REAL300032455874	1	41	-1.0	-60.25	341.51	-0.82	-61.07
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CC=C([O-])C=C1F	REAL300032455936	1	45	-1.0	-63.92	368.82	3.55	-60.37
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CC([O-])=CC(=O)O1	REAL300032455939	0	44	-1.0	-58.34	367.64	2.68	-55.66
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)CCC1=NC(=O)[N-]N1	REAL300032455987	1	47	-1.0	-65.56	383.24	-0.42	-65.98
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=C[N-]N=CC1=O	REAL300032455996	0	43	-1.0	-55.54	351.49	2.06	-53.48
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CC=CC(F)=C1[O-]	REAL300032456003	0	45	-1.0	-83.32	368.36	5.15	-78.17
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CC=CC([O-])=C1F	REAL300032456058	1	45	-1.0	-77.62	368.69	3.52	-74.10
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CC(=O)N[N-]1	REAL300032456123	0	42	-1.0	-61.79	347.32	-0.08	-61.87
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C(=O)[PH](C)(C)[O-]	REAL300032456128	0	47	-1.0	-60.81	375.64	1.92	-58.89
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300032456174	0	45	-1.0	-74.98	370.33	3.98	-71.00
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=NC(=O)N[N-]1	REAL300032456189	0	41	-1.0	-59.99	336.35	-0.89	-60.88
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CC=CN([O-])C1=O	REAL300032456193	0	45	-1.0	-72.69	366.66	4.39	-68.30
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CC(F)=CC=C1O	REAL300032456290	0	45	-1.0	-72.34	362.99	5.63	-66.71
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CC(F)=CC=C1[O-]	REAL300032456290	1	45	-1.0	-72.34	362.99	5.63	-66.71
CC1=CC=NC(C(=O)NCC2C(C)CCCN2C(=O)C2=NSNC2=O)=C1O	REAL300032456331	0	47	-1.0	-78.34	378.71	4.31	-74.03
CC1=CC=NC(C(=O)NCC2C(C)CCCN2C(=O)C2=NSNC2=O)=C1[O-]	REAL300032456331	1	47	-1.0	-78.34	378.71	4.31	-74.03
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CN=CC(O)=C1	REAL300032456386	0	44	-1.0	-66.50	359.33	1.65	-64.85
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CN=CC([O-])=C1	REAL300032456386	1	44	-1.0	-66.50	359.33	1.65	-64.85
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)CC1=NC([O-])=CS1	REAL300032456465	0	44	-1.0	-75.56	373.83	-0.18	-75.74
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=C(O)C=CC=C1F	REAL300032456476	0	45	-1.0	-69.85	372.85	3.57	-66.28
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=C([O-])C=CC=C1F	REAL300032456476	1	45	-1.0	-69.85	372.85	3.57	-66.28
CC1=CC(=O)C(C(=O)NCC2C(C)CCCN2C(=O)C2=NSNC2=O)=N[N-]1	REAL300032456561	0	46	-1.0	-68.22	375.05	3.97	-64.25
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300032456576	0	45	-1.0	-92.50	366.62	5.24	-87.26
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=NN(C)C(=O)[N-]1	REAL300032456618	0	44	-1.0	-68.45	364.58	0.13	-68.32
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CC=C(F)C(O)=C1	REAL300032456733	0	45	-1.0	-61.24	370.53	3.51	-57.73
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CC=C(F)C([O-])=C1	REAL300032456733	1	45	-1.0	-61.24	370.53	3.51	-57.73
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300032456780	0	43	-1.0	-58.51	360.44	-3.15	-61.66
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300032456780	1	43	-1.0	-56.51	360.10	-2.15	-58.66
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CN=C(N)[N-]C1=O	REAL300032456815	1	45	-1.0	-64.15	364.88	1.03	-63.12
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CC=NC=C1[O-]	REAL300032456891	1	44	-1.0	-76.77	357.49	3.28	-73.49
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300032456896	0	41	-1.0	-63.55	341.08	0.66	-62.89
CC1=C([O-])N=C(C(=O)NCC2C(C)CCCN2C(=O)C2=NSNC2=O)S1	REAL300032456911	1	44	-1.0	-64.92	372.87	0.29	-64.63
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300032457003	0	45	-1.0	-57.52	370.37	-0.91	-58.43
CCN1[N-]C(C(=O)NCC2C(C)CCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300032457041	0	48	-1.0	-65.96	391.86	2.57	-63.39
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CC(=O)N(C)[N-]1	REAL300032457057	0	45	-1.0	-64.97	370.08	1.63	-63.34
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)CC1=CC(=O)N[N-]1	REAL300032457135	1	45	-1.0	-69.19	367.98	0.54	-68.65
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CC=C([O-])C(F)=C1	REAL300032457139	1	45	-1.0	-61.91	370.49	3.54	-58.37
CC1=CN=C(C(=O)NCC2C(C)CCCN2C(=O)C2=NSNC2=O)C([O-])=C1	REAL300032457195	1	47	-1.0	-80.81	380.82	4.01	-76.80
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CC([O-])=CS1	REAL300032457207	0	42	-1.0	-69.97	356.54	2.38	-67.59
CC1CCCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300032457218	0	45	-1.0	-75.29	369.95	4.00	-71.29
CC1CCCN(C(=O)C2=CC(=O)N(C)[N-]2)C1CNC(=O)C1=NSNC1=O	REAL300032457301	0	45	-1.0	-57.22	368.57	2.05	-55.17
CC1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1CNC(=O)C1=NSNC1=O	REAL300032457369	0	43	-1.0	-48.85	360.52	-1.33	-50.18
CC1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1CNC(=O)C1=NSNC1=O	REAL300032457369	1	43	-1.0	-48.85	360.52	-1.33	-50.18
CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=NSNC1=O	REAL300032457458	0	41	-1.0	-59.75	340.79	0.31	-59.44
CN(CCC1CCN(C(=O)C2=COC(=O)[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300032458177	1	44	-1.0	-56.23	367.04	2.18	-54.05
CN(CCC1CCN(C(=O)CC2=CC(=O)N[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300032458254	1	48	-1.0	-64.75	396.43	2.42	-62.33
CN(CCC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300032458263	0	47	-1.0	-67.91	389.95	2.20	-65.71
CN(CCC1CCN(C(=O)C2=C[N-]N=CC2=O)CC1)C(=O)C1=NSNC1=O	REAL300032458292	0	46	-1.0	-48.17	377.60	3.44	-44.73
CN(CCC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300032458326	0	45	-1.0	-60.53	371.95	2.09	-58.44
CN(CCC1CCN(C(=O)C2=NC(=O)N[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300032458490	0	44	-1.0	-56.92	366.68	1.48	-55.44
CN(CCC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=NC=CC=C1[O-]	REAL300032458781	1	47	-1.0	-65.03	384.46	5.73	-59.30
CN(CCC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=COC(=O)[N-]1	REAL300032459248	1	44	-1.0	-52.88	367.68	1.99	-50.89
CN(CCC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=C[N-]N=CC1=O	REAL300032459315	0	46	-1.0	-52.31	385.85	3.46	-48.85
CN(CCC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC(=O)N[N-]1	REAL300032459372	0	45	-1.0	-53.48	372.55	1.97	-51.51
CN(CCC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=NC(=O)N[N-]1	REAL300032459405	0	44	-1.0	-57.55	367.93	1.19	-56.36
CN(CCC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CN=CC([O-])=C1	REAL300032459510	1	47	-1.0	-54.12	384.59	3.05	-51.07
CN(CCC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300032459614	0	47	-1.0	-66.81	390.66	2.07	-64.74
CN(CCC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC=NC=C1[O-]	REAL300032459734	0	47	-1.0	-63.76	386.45	3.45	-60.31
CN(CCC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300032459736	0	44	-1.0	-58.06	367.57	2.08	-55.98
CN(CCC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300032459818	0	48	-1.0	-56.10	395.36	3.68	-52.42
CN(CCC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)CC1=CC(=O)N[N-]1	REAL300032459863	1	48	-1.0	-61.73	396.02	2.34	-59.39
CN(CCC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC([O-])=CS1	REAL300032459906	0	45	-1.0	-73.03	379.21	3.64	-69.39
CN(CCC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300032459963	0	48	-1.0	-63.09	394.77	3.79	-59.30
CN(CCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NSNC1=O	REAL300032460066	0	44	-1.0	-63.40	366.84	2.02	-61.38
CC(C)C(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032460538	1	46	-1.0	-49.67	393.03	0.65	-49.02
CC(C)C(CNC(=O)CCCN1C(=O)[N-]NC1=O)NC(=O)C1=NSNC1=O	REAL300032461147	0	47	-1.0	-54.64	405.61	-1.80	-56.44
CC(C)C(CNC(=O)CCC1=NNC(=O)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032461349	0	45	-1.0	-53.16	388.72	-4.46	-57.62
CC(=O)[N-]C1=NC(C(=O)NCC(NC(=O)C2=NSNC2=O)C(C)C)=CS1	REAL300032461350	1	43	-1.0	-45.20	384.09	-1.35	-46.55
CC(C)C(CNC(=O)CCN1C=C[N-]C(=O)C1=O)NC(=O)C1=NSNC1=O	REAL300032461492	1	46	-1.0	-56.83	395.64	-0.70	-57.53
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CC(C)C(CNC(=O)C1=NNC(=O)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032461701	0	39	-1.0	-51.99	345.53	-4.97	-56.96
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CC1=CC=C(F)C([O-])=C1C(=O)NCC1CCCC1NC(=O)C1=NSNC1=O	REAL300032491481	0	45	-1.0	-62.99	394.36	1.73	-61.26
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CC1=CC(=O)C(C(=O)NCC2CCCC2NC(=O)C2=NSNC2=O)=N[N-]1	REAL300032491602	0	43	-1.0	-56.21	376.82	1.47	-54.74
O=C(NC1CCCC1CNC(=O)C1=CC=CC(=O)N1[O-])C1=NSNC1=O	REAL300032491627	0	42	-1.0	-79.31	362.89	3.15	-76.16
N#CC1=CC=C(C(=O)NCC2CCCC2NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032491655	0	42	-1.0	-41.89	372.74	0.12	-41.77
CN1N=C(C(=O)NCC2CCCC2NC(=O)C2=NSNC2=O)[N-]C1=O	REAL300032491701	0	41	-1.0	-59.15	364.87	-2.04	-61.19
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N#CC1=CC=C([O-])C(C(=O)NCC2CCCC2NC(=O)C2=NSNC2=O)=C1	REAL300032491759	0	43	-1.0	-60.74	383.75	3.24	-57.50
O=C(NC1CCCC1CNC(=O)C1=CN([O-])C(=O)NC1=O)C1=NSNC1=O	REAL300032491842	0	42	-1.0	-49.59	368.23	-0.21	-49.80
O=C(NC1CCCC1CNC(=O)C1=CC=C(F)C(O)=C1)C1=NSNC1=O	REAL300032491893	0	42	-1.0	-67.71	371.40	1.25	-66.46
O=C(NC1CCCC1CNC(=O)C1=CC=C(F)C([O-])=C1)C1=NSNC1=O	REAL300032491893	1	42	-1.0	-67.71	371.40	1.25	-66.46
O=C(NC1CCCC1CNC(=O)C1=CC=C(Cl)C=C1O)C1=NSNC1=O	REAL300032491911	0	42	-1.0	-67.35	379.64	3.34	-64.01
O=C(NC1CCCC1CNC(=O)C1=CC=C(Cl)C=C1[O-])C1=NSNC1=O	REAL300032491911	1	42	-1.0	-67.35	379.64	3.34	-64.01
O=C(NC1CCCC1CNC(=O)C1=NC(=O)[N-]C(=O)N1)C1=NSNC1=O	REAL300032491978	0	40	-1.0	-48.42	361.38	-4.55	-52.97
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NC1=NC=C(C(=O)NCC2CCCC2NC(=O)C2=NSNC2=O)C(=O)N1	REAL300032492032	0	42	-1.0	-49.64	366.54	-1.46	-51.10
NC1=NC=C(C(=O)NCC2CCCC2NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032492032	1	42	-1.0	-49.64	366.54	-1.46	-51.10
O=C(NC1CCCC1CNC(=O)C1=NC=CC(Cl)=C1[O-])C1=NSNC1=O	REAL300032492116	0	41	-1.0	-62.84	375.87	1.72	-61.12
O=C(NC1CCCC1CNC(=O)C1=CC=NC=C1O)C1=NSNC1=O	REAL300032492163	0	41	-1.0	-67.33	358.29	0.99	-66.34
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O=C(NCC1CCCC1NC(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300032492169	0	38	-1.0	-56.54	342.36	-1.78	-58.32
CC1SC(C(=O)NCC2CCCC2NC(=O)C2=NSNC2=O)=NC1=O	REAL300032492191	0	41	-1.0	-56.23	374.16	-2.12	-58.35
CC1=C([O-])N=C(C(=O)NCC2CCCC2NC(=O)C2=NSNC2=O)S1	REAL300032492191	1	41	-1.0	-56.23	374.16	-2.12	-58.35
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O=C(NCC1CCCC1NC(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C=C1	REAL300032492283	1	44	-1.0	-56.87	384.31	1.14	-55.73
O=C(NCC1CCCC1NC(=O)C1=NSNC1=O)C1=CN=C(C=N[O-])S1	REAL300032492302	0	41	-1.0	-63.63	378.13	-0.33	-63.96
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CCN1[N-]C(C(=O)NCC2CCCC2NC(=O)C2=NSNC2=O)=CC1=O	REAL300032492400	0	45	-1.0	-56.17	392.16	0.39	-55.78
CN1[N-]C(C(=O)NCC2CCCC2NC(=O)C2=NSNC2=O)=CC1=O	REAL300032492419	0	42	-1.0	-55.36	370.43	-0.54	-55.90
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CC1=CN=C(C(=O)NCC2CCCC2NC(=O)C2=NSNC2=O)C(O)=C1	REAL300032492663	0	44	-1.0	-68.02	381.11	1.84	-66.18
CC1=CN=C(C(=O)NCC2CCCC2NC(=O)C2=NSNC2=O)C([O-])=C1	REAL300032492663	1	44	-1.0	-68.02	381.11	1.84	-66.18
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CN1[N-]C(C(=O)NC2CCCC2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300032492852	0	42	-1.0	-59.29	370.36	-0.53	-59.82
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CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C[N-]C(=O)C(F)(F)F	REAL300032569497	0	37	-1.0	-55.84	344.29	-1.52	-57.36
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)CC1=C([O-])N=C(N)S1	REAL300032569498	0	39	-1.0	-75.69	355.50	-2.38	-78.07
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)CC1=NC([O-])=CS1	REAL300032569577	0	37	-1.0	-68.52	339.74	-1.45	-69.97
CCC1=NC=C(C(=O)NC(C)CN(C)C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032569609	1	42	-1.0	-47.88	357.38	1.11	-46.77
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)CN1N=CC(=O)[N-]C1=O	REAL300032569623	0	39	-1.0	-69.23	350.22	-2.94	-72.17
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=C(Cl)C(=O)[N-]S1	REAL300032569723	0	34	-1.0	-55.89	331.75	-0.12	-56.01
COCC1=NC=C(C(=O)NC(C)CN(C)C(=O)C2=NSNC2=O)C(=O)N1	REAL300032569863	0	43	-1.0	-62.19	368.38	0.21	-61.98
COCC1=NC=C(C(=O)NC(C)CN(C)C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032569863	1	43	-1.0	-62.19	368.38	0.21	-61.98
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CN=C(CC2CC2)NC1=O	REAL300032569878	0	46	-1.0	-47.83	388.30	2.71	-45.12
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CN=C(CC2CC2)[N-]C1=O	REAL300032569878	1	46	-1.0	-47.83	388.30	2.71	-45.12
CC1=CC(=O)C(C(=O)NC(C)CN(C)C(=O)C2=NSNC2=O)=N[N-]1	REAL300032569986	0	39	-1.0	-59.64	342.91	2.35	-57.29
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=NNC(=O)[N-]1	REAL300032570010	0	34	-1.0	-58.51	308.68	-2.89	-61.40
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300032570041	1	39	-1.0	-53.34	351.38	1.60	-51.74
CC1=NC2=NC=C(C(=O)NC(C)CN(C)C(=O)C3=NSNC3=O)C(=O)N2[N-]1	REAL300032570077	0	42	-1.0	-60.48	362.65	4.72	-55.76
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CN=C(C=N[O-])S1	REAL300032570204	0	37	-1.0	-64.60	348.63	0.23	-64.37
COC1=NC(C(=O)NC(C)CN(C)C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300032570225	0	40	-1.0	-60.49	354.91	-3.41	-63.90
CC(CN(C)C(=O)C1=NC=CC=C1[O-])NC(=O)C1=NSNC1=O	REAL300032570482	1	37	-1.0	-73.19	325.63	2.30	-70.89
CC(CN(C)C(=O)CCN1C=C[N-]C(=O)C1=O)NC(=O)C1=NSNC1=O	REAL300032570613	1	43	-1.0	-64.48	379.26	0.49	-63.99
CC(=O)[N-]C1=NC(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)=CS1	REAL300032570631	1	40	-1.0	-51.62	363.79	0.44	-51.18
CC(CN(C)C(=O)C1=NNC(=O)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032570672	0	36	-1.0	-65.81	325.64	-3.56	-69.37
COC1=C(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)NC(=O)[N-]C1=O	REAL300032570742	1	41	-1.0	-59.03	367.50	-3.88	-62.91
CC(CN(C)C(=O)CN1C(=O)[N-]NC1=O)NC(=O)C1=NSNC1=O	REAL300032570953	0	38	-1.0	-68.47	342.02	-2.17	-70.64
CC(CN(C)C(=O)CN1[N-]C=C2C1=NC=NC2=O)NC(=O)C1=NSNC1=O	REAL300032571023	0	42	-1.0	-49.24	371.43	0.39	-48.85
CC(CN(C)C(=O)CCCN1C(=O)[N-]NC1=O)NC(=O)C1=NSNC1=O	REAL300032572220	0	44	-1.0	-66.18	384.54	-0.92	-67.10
CC(C)CN1[N-]C(CC(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)=CC1=O	REAL300032572431	0	50	-1.0	-72.15	421.42	3.18	-68.97
CC(CN(C)C(=O)C1=CN=C(C2CC2)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032572491	1	43	-1.0	-71.47	379.57	0.98	-70.49
CC(CN(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)NC(=O)C1=NSNC1=O	REAL300032572744	0	43	-1.0	-47.43	373.49	0.37	-47.06
CC1=C(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)C(=O)[N-]C(C(C)C)=N1	REAL300032573299	1	48	-1.0	-53.83	406.35	1.42	-52.41
CC(CN(C)C(=O)CCC1=NNC(=O)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032573645	0	42	-1.0	-63.00	373.52	-3.66	-66.66
CC(CN(C)C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)NC(=O)C1=NSNC1=O	REAL300032573655	0	40	-1.0	-66.28	355.31	3.22	-63.06
CC(CN(C)C(=O)C1=CC(Cl)=CC=C1[O-])NC(=O)C1=NSNC1=O	REAL300032573674	1	38	-1.0	-72.76	348.49	2.72	-70.04
CC(CN(C)C(=O)C1=CC([O-])=CC(C#N)=C1)NC(=O)C1=NSNC1=O	REAL300032573715	1	39	-1.0	-52.75	350.21	1.77	-50.98
CC(CN(C)C(=O)C1=CC=C(N)C(Cl)=C1[O-])NC(=O)C1=NSNC1=O	REAL300032573752	0	40	-1.0	-79.14	356.49	1.37	-77.77
CC(CN(C)C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])NC(=O)C1=NSNC1=O	REAL300032573826	0	40	-1.0	-84.33	357.78	3.83	-80.50
CCC1=NC=C(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032573866	1	42	-1.0	-55.34	363.89	0.32	-55.02
CC(CN(C)C(=O)C1=COC(=O)[N-]1)NC(=O)C1=NSNC1=O	REAL300032573896	1	34	-1.0	-53.94	308.71	-1.36	-55.30
CC1=NC2=NC=C(C(=O)N(C)CC(C)NC(=O)C3=NSNC3=O)C(=O)N2[N-]1	REAL300032574994	0	42	-1.0	-51.71	374.89	3.27	-48.44
CC(CN(C)C(=O)C1=NC(N)=CC(=O)[N-]1)NC(=O)C1=NSNC1=O	REAL300032575045	0	38	-1.0	-55.87	336.82	-1.57	-57.44
CC(CN(C)C(=O)CN1C=C(C#N)C(=O)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032575061	0	41	-1.0	-78.99	376.78	-0.99	-79.98
CC(CN(C)C(=O)C1=CC=C([O-])C(Cl)=C1)NC(=O)C1=NSNC1=O	REAL300032575138	0	38	-1.0	-58.71	345.31	1.98	-56.73
CC(CN(C)C(=O)C1=CC(F)=CC=C1[O-])NC(=O)C1=NSNC1=O	REAL300032575147	1	38	-1.0	-71.95	338.17	2.28	-69.67
CC1=CC=NC(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)=C1[O-]	REAL300032575263	1	40	-1.0	-72.69	346.37	2.98	-69.71
CC(CN(C)C(=O)C1=CC=C(Cl)C(F)=C1[O-])NC(=O)C1=NSNC1=O	REAL300032575332	0	38	-1.0	-78.77	350.31	3.44	-75.33
CC(CN(C)C(=O)C1=CN=CC([O-])=C1)NC(=O)C1=NSNC1=O	REAL300032575474	1	37	-1.0	-52.01	325.62	-0.23	-52.24
CC(CN(C)C(=O)C1=CC=CC(=S)N1[O-])NC(=O)C1=NSNC1=O	REAL300032575490	0	38	-1.0	-69.28	353.66	2.73	-66.55
CC(CN(C)C(=O)C1=CN=C(C2CCC2)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032575665	1	46	-1.0	-71.61	395.32	1.52	-70.09
CC(CN(C)C(=O)C1=CC(N)=C(Cl)C([O-])=C1)NC(=O)C1=NSNC1=O	REAL300032575684	1	40	-1.0	-55.86	358.04	-0.11	-55.97
CC(CN(C)C(=O)C1=CC=C([O-])C(Cl)=N1)NC(=O)C1=NSNC1=O	REAL300032575689	0	37	-1.0	-52.32	344.36	1.12	-51.20
CC(CN(C)C(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)NC(=O)C1=NSNC1=O	REAL300032575767	0	42	-1.0	-56.23	369.41	1.48	-54.75
CC(CN(C)C(=O)C1=CC=C([O-])C=C1Cl)NC(=O)C1=NSNC1=O	REAL300032575774	1	38	-1.0	-62.27	342.17	1.93	-60.34
CC(CN(C)C(=O)C1=CC(C#N)=C(N)C=C1[O-])NC(=O)C1=NSNC1=O	REAL300032575777	0	41	-1.0	-70.21	365.58	0.53	-69.68
CC(CN(C)C(=O)CC1=NC([O-])=CS1)NC(=O)C1=NSNC1=O	REAL300032575792	0	37	-1.0	-82.83	342.85	-1.80	-84.63
CC(CN(C)C(=O)C1=C([O-])C=CC=C1F)NC(=O)C1=NSNC1=O	REAL300032575820	1	38	-1.0	-53.94	342.66	1.83	-52.11
CC(CN(C)C(=O)CN1[N-]C(=O)C=CC1=O)NC(=O)C1=NSNC1=O	REAL300032575824	0	40	-1.0	-52.05	357.74	-1.06	-53.11
CC(CN(C)C(=O)C1=CC=C(F)C=C1[O-])NC(=O)C1=NSNC1=O	REAL300032575829	0	38	-1.0	-76.97	333.77	3.01	-73.96
CC1=CC=C(F)C([O-])=C1C(=O)N(C)CC(C)NC(=O)C1=NSNC1=O	REAL300032575890	0	41	-1.0	-64.81	362.72	2.27	-62.54
CC1=C(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)[N-]C(=O)C(C#N)=C1	REAL300032576974	0	41	-1.0	-48.59	363.45	1.98	-46.61
CC(CN(C)C(=O)C1=CC=C(F)C([O-])=C1F)NC(=O)C1=NSNC1=O	REAL300032577003	0	38	-1.0	-79.14	340.66	1.56	-77.58
CC(CN(C)C(=O)C1=CC(F)=C([O-])C(Cl)=C1)NC(=O)C1=NSNC1=O	REAL300032577076	0	38	-1.0	-59.40	351.52	2.04	-57.36
CC(CN(C)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)NC(=O)C1=NSNC1=O	REAL300032577085	1	39	-1.0	-56.83	349.42	0.91	-55.92
COC1=NC(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300032577092	0	40	-1.0	-64.22	353.16	-2.80	-67.02
CC(CN(C)C(=O)C1=CC=C2N[N-]N=C2C1=O)NC(=O)C1=NSNC1=O	REAL300032577095	0	40	-1.0	-55.12	357.49	0.18	-54.94
CC(CN(C)C(=O)C1=NC=CC(Cl)=C1[O-])NC(=O)C1=NSNC1=O	REAL300032577108	0	37	-1.0	-52.09	340.85	2.86	-49.23
CC(CN(C)C(=O)CC1=CC=C([O-])C(Cl)=C1)NC(=O)C1=NSNC1=O	REAL300032577115	1	41	-1.0	-71.03	374.00	3.03	-68.00
CC(CN(C)C(=O)C1=CC=C(Cl)C([O-])=C1)NC(=O)C1=NSNC1=O	REAL300032577167	0	38	-1.0	-54.38	345.35	1.94	-52.44
CC(CN(C)C(=O)C1=CC=NC=C1[O-])NC(=O)C1=NSNC1=O	REAL300032577179	0	37	-1.0	-76.18	326.64	0.32	-75.86
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NSNC1=O	REAL300032577189	0	34	-1.0	-62.68	310.04	-1.38	-64.06
CC1=C([O-])N=C(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)S1	REAL300032577240	1	37	-1.0	-58.59	340.36	-0.63	-59.22
CC(CN(C)C(=O)C1=C([O-])C=CC2=CC=CC=C21)NC(=O)C1=NSNC1=O	REAL300032577302	1	44	-1.0	-57.42	381.67	3.98	-53.44
CC(CN(C)C(=O)C1=C([O-])C2=CC=CC=C2C=C1)NC(=O)C1=NSNC1=O	REAL300032577322	1	44	-1.0	-58.84	375.69	4.76	-54.08
CC(CN(C)C(=O)C1=CC2=CC=CC=C2C=C1[O-])NC(=O)C1=NSNC1=O	REAL300032577331	1	44	-1.0	-85.46	377.98	4.52	-80.94
CC(CN(C)C(=O)C(=O)C1=CC=C([O-])C=C1)NC(=O)C1=NSNC1=O	REAL300032577391	1	40	-1.0	-59.76	361.69	1.46	-58.30
CC(CN(C)C(=O)C1=CN=C(C=N[O-])S1)NC(=O)C1=NSNC1=O	REAL300032577431	0	37	-1.0	-73.27	347.23	-0.59	-73.86
CC(CN(C)C(=O)C1=CC(=O)C=C(Cl)[N-]1)NC(=O)C1=NSNC1=O	REAL300032577469	1	37	-1.0	-45.04	342.67	2.28	-42.76
CSC1=NC=C(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032577500	1	40	-1.0	-71.27	369.79	-0.11	-71.38
CC(CN(C)C(=O)C1=CC(=O)NC([O-])=C1)NC(=O)C1=NSNC1=O	REAL300032577510	0	38	-1.0	-56.69	344.44	-2.72	-59.41
CCN1[N-]C(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)=CC1=O	REAL300032577609	0	41	-1.0	-62.29	358.68	1.17	-61.12
CC(CN(C)C(=O)CNC(=O)C1=NC=CC=C1[O-])NC(=O)C1=NSNC1=O	REAL300032577621	1	44	-1.0	-70.82	387.36	0.17	-70.65
CC(CN(C)C(=O)C1=CC(=O)N(C)[N-]1)NC(=O)C1=NSNC1=O	REAL300032577635	0	38	-1.0	-61.35	336.95	0.23	-61.12
CC(CN(C)C(=O)C1=CC=CC2=C1C(=O)[N-]C2=O)NC(=O)C1=NSNC1=O	REAL300032577649	1	41	-1.0	-85.26	358.42	-0.08	-85.34
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NSNC1=O	REAL300032577654	0	38	-1.0	-62.73	354.61	-1.86	-64.59
CC1=C(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)C(=S)[N-]C(=O)N1	REAL300032577656	1	40	-1.0	-76.80	367.27	-0.43	-77.23
CC1=C(C(=O)N(C)CC(C)NC(=O)C2=NSNC2=O)C(=O)[N-]C(C2CC2)=N1	REAL300032577667	1	46	-1.0	-73.17	398.31	1.44	-71.73
CC(CN(C)C(=O)C1=C([O-])C=NC2=CC=CC=C21)NC(=O)C1=NSNC1=O	REAL300032577734	1	43	-1.0	-70.60	376.89	1.98	-68.62
CC(CN(C)C(=O)CC1=CC(=O)N[N-]1)NC(=O)C1=NSNC1=O	REAL300032577862	1	38	-1.0	-69.15	337.01	-1.09	-70.24
CC(CN(C)C(=O)C1=CC=C([O-])C(F)=C1)NC(=O)C1=NSNC1=O	REAL300032577869	1	38	-1.0	-61.84	335.51	1.49	-60.35
CC(CN(C)C(=O)C1=CC(F)=C([O-])C(F)=C1)NC(=O)C1=NSNC1=O	REAL300032577943	0	38	-1.0	-63.36	341.73	1.57	-61.79
CC(CN(C)C(=O)C1=CC=NC(Cl)=C1[O-])NC(=O)C1=NSNC1=O	REAL300032577949	0	37	-1.0	-74.09	342.70	0.83	-73.26
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300032578970	0	34	-1.0	-57.81	308.93	-0.94	-58.75
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300032578992	0	38	-1.0	-54.14	337.89	0.29	-53.85
CC(CN(C)C(=O)C1=NSNC1=O)NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300032579032	1	39	-1.0	-52.56	347.27	1.70	-50.86
O=C(NCC1CCCCC1NC(=O)C1=NNC(=O)[N-]C1=O)C1=NSNC1=O	REAL300032579812	0	43	-1.0	-63.19	374.41	-3.39	-66.58
O=C(CN1C(=O)[N-]NC1=O)NC1CCCCC1CNC(=O)C1=NSNC1=O	REAL300032579861	0	45	-1.0	-66.00	388.53	-1.74	-67.74
O=C(NCC1CCCCC1NC(=O)C1=CN([O-])C(=O)C=C1)C1=NSNC1=O	REAL300032580207	0	45	-1.0	-75.27	385.49	2.75	-72.52
O=C(NCC1CCCCC1NC(=O)C1=CC(=O)NC([O-])=C1)C1=NSNC1=O	REAL300032580282	0	45	-1.0	-57.07	385.96	-2.16	-59.23
O=C(NCC1CCCCC1NC(=O)C1=COC(=O)[N-]1)C1=NSNC1=O	REAL300032580293	1	41	-1.0	-59.73	353.93	-1.96	-61.69
CCN1[N-]C(C(=O)NC2CCCCC2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300032580398	0	48	-1.0	-62.29	407.41	1.32	-60.97
O=C(CC1=CC(=O)N[N-]1)NC1CCCCC1CNC(=O)C1=NSNC1=O	REAL300032580405	1	45	-1.0	-66.12	379.41	-0.36	-66.48
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CN1N=C(C(=O)N2C3CCCC2CC(NC(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300032644933	0	45	-1.0	-58.42	369.42	0.17	-58.25
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O=C(NC1CC2CCCC(C1)N2C(=O)C1=NSNC1=O)C1=NC=CC=C1[O-]	REAL300032645464	1	45	-1.0	-59.73	364.07	3.37	-56.36
O=C(NC1CC2CCCC(C1)N2C(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300032645939	1	42	-1.0	-50.57	347.19	-1.06	-51.63
O=C(NC1CC2CCCC(C1)N2C(=O)C1=NSNC1=O)C1=C[N-]N=CC1=O	REAL300032646010	0	44	-1.0	-41.71	351.68	2.71	-39.00
O=C(NC1CC2CCCC(C1)N2C(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300032646069	0	43	-1.0	-49.50	352.02	-0.06	-49.56
O=C(NC1CC2CCCC(C1)N2C(=O)C1=NSNC1=O)C1=NC(=O)N[N-]1	REAL300032646103	0	42	-1.0	-49.74	346.61	-1.35	-51.09
O=C(NC1CC2CCCC(C1)N2C(=O)C1=NSNC1=O)C1=CN=CC([O-])=C1	REAL300032646211	1	45	-1.0	-55.04	359.96	2.84	-52.20
CN1N=C(C(=O)NC2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)[N-]C1=O	REAL300032646319	0	45	-1.0	-57.97	368.65	0.44	-57.53
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CN1[N-]C(C(=O)NC2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)=CC1=O	REAL300032646539	0	46	-1.0	-51.90	374.76	1.65	-50.25
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CN1[N-]C(C(=O)N2C3CCCC2CC(NC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300032646688	0	46	-1.0	-53.46	374.62	1.71	-51.75
O=C(NC1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C1=NSNC1=O	REAL300032646797	0	42	-1.0	-57.01	346.95	-0.02	-57.03
O=C(C1=NSNC1=O)N1CCC2CCC(C1)N2C(=O)C1=NNC(=O)[N-]C1=O	REAL300032647587	0	41	-1.0	-62.46	336.13	-1.27	-63.73
O=C(CN1C(=O)[N-]NC1=O)N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032647638	0	43	-1.0	-54.22	350.24	0.92	-53.30
O=C(C1=CN([O-])C(=O)C=C1)N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032648018	0	43	-1.0	-58.44	350.75	4.18	-54.26
O=C(C1=NSNC1=O)N1CCC2CCC(C1)N2C(=O)C1=CC(=O)NC([O-])=C1	REAL300032648097	0	43	-1.0	-49.66	344.04	-0.94	-50.60
O=C(C1=COC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032648108	1	39	-1.0	-45.82	319.32	1.24	-44.58
CCN1[N-]C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)=CC1=O	REAL300032648225	0	46	-1.0	-56.61	368.76	3.44	-53.17
O=C(CC1=CC(=O)N[N-]1)N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032648232	1	43	-1.0	-56.54	345.23	1.99	-54.55
CN1N=C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)[N-]C1=O	REAL300032648255	0	42	-1.0	-60.26	341.76	0.97	-59.29
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C[PH](C)([O-])C(=O)C(=O)N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032648382	0	45	-1.0	-55.03	358.21	1.75	-53.28
O=C(C1=CC=CN([O-])C1=O)N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032648406	0	43	-1.0	-69.10	354.73	4.30	-64.80
CC1SC(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)=NC1=O	REAL300032648427	0	42	-1.0	-50.27	351.80	1.77	-48.50
CC1=C([O-])N=C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)S1	REAL300032648427	1	42	-1.0	-50.27	351.80	1.77	-48.50
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O=C(C1=CC=CC(=O)N1[O-])N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032648468	0	43	-1.0	-72.82	350.54	5.05	-67.77
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CC1=CC(=O)C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)=N[N-]1	REAL300032648736	0	44	-1.0	-60.24	352.78	4.75	-55.49
O=C(C1=NC(=O)N[N-]1)N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032648746	0	39	-1.0	-47.57	320.35	0.42	-47.15
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=NC=CC=C1[O-])CC2	REAL300032649088	1	42	-1.0	-77.76	336.15	4.77	-72.99
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=NNC(=O)[N-]C1=O)CC2	REAL300032649186	0	41	-1.0	-65.74	335.74	-1.11	-66.85
O=C(CN1C(=O)[N-]NC1=O)N1CCC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300032649278	0	43	-1.0	-67.93	352.92	0.16	-67.77
N#CC1=CC([O-])=CC(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)=C1	REAL300032650088	1	44	-1.0	-48.58	362.78	4.09	-44.49
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=COC(=O)[N-]1)CC2	REAL300032650155	1	39	-1.0	-49.60	319.84	0.88	-48.72
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=C([O-])C=C1F)CC2	REAL300032650224	1	43	-1.0	-61.97	349.09	3.87	-58.10
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC([O-])=CC(=O)O1)CC2	REAL300032650228	0	42	-1.0	-54.01	344.98	3.24	-50.77
N#CC1=CC=C(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)C=C1[O-]	REAL300032650231	1	44	-1.0	-62.41	360.63	4.24	-58.17
CC1=CC=C([O-])C(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)=N1	REAL300032650282	1	45	-1.0	-78.33	353.62	5.02	-73.31
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=C[N-]N=CC1=O)CC2	REAL300032650293	0	41	-1.0	-48.76	333.22	2.33	-46.43
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O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=CC([O-])=C1F)CC2	REAL300032650364	1	43	-1.0	-82.66	351.28	4.04	-78.62
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C[PH](C)([O-])C(=O)C(=O)N1CCC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300032650441	0	45	-1.0	-56.33	358.85	2.09	-54.24
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC(=O)N([O-])C=C1)CC2	REAL300032650491	0	43	-1.0	-69.36	353.97	4.52	-64.84
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=NNC(=O)[N-]1)CC2	REAL300032650508	0	39	-1.0	-60.19	319.18	-0.77	-60.96
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=CN([O-])C1=O)CC2	REAL300032650513	0	43	-1.0	-61.49	349.78	4.38	-57.11
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC(F)=CC=C1O)CC2	REAL300032650619	0	43	-1.0	-76.11	348.69	4.77	-71.34
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC(F)=CC=C1[O-])CC2	REAL300032650619	1	43	-1.0	-76.11	348.69	4.77	-71.34
CC1=CC=NC(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)=C1O	REAL300032650661	0	45	-1.0	-76.20	356.97	5.29	-70.91
CC1=CC=NC(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)=C1[O-]	REAL300032650661	1	45	-1.0	-76.20	356.97	5.29	-70.91
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CN=CC(O)=C1)CC2	REAL300032650721	0	42	-1.0	-64.11	335.26	2.02	-62.09
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CN=CC([O-])=C1)CC2	REAL300032650721	1	42	-1.0	-64.11	335.26	2.02	-62.09
O=C(CC1=NC([O-])=CS1)N1CCC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300032650814	0	42	-1.0	-81.83	353.75	0.53	-81.30
CC1=CC(=O)C(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)=N[N-]1	REAL300032650920	0	44	-1.0	-64.14	352.92	4.78	-59.36
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=CC(=O)N1[O-])CC2	REAL300032650935	0	43	-1.0	-105.65	347.81	4.97	-100.68
CN1N=C(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)[N-]C1=O	REAL300032650981	0	42	-1.0	-67.06	341.47	1.21	-65.85
N#CC1=CC=C(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)C([O-])=C1	REAL300032651014	0	44	-1.0	-77.10	363.30	5.22	-71.88
N#CC1=CC=C([O-])C(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)=C1	REAL300032651020	0	44	-1.0	-70.34	362.87	5.31	-65.03
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=C(F)C([O-])=C1)CC2	REAL300032651110	1	43	-1.0	-66.84	346.66	3.86	-62.98
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=NC(=O)[N-]C(=O)N1)CC2	REAL300032651160	0	41	-1.0	-49.93	338.34	-0.74	-50.67
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=NC(=O)NC(=O)[N-]1)CC2	REAL300032651160	1	41	-1.0	-49.93	338.34	-0.74	-50.67
NC1=NC=C(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)C(=O)N1	REAL300032651196	0	43	-1.0	-54.07	347.80	1.00	-53.07
NC1=NC=C(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032651196	1	43	-1.0	-54.07	347.80	1.00	-53.07
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300032651284	0	39	-1.0	-59.26	319.57	0.99	-58.27
CC1SC(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)=NC1=O	REAL300032651300	0	42	-1.0	-48.99	350.20	1.92	-47.07
CC1=C([O-])N=C(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)S1	REAL300032651300	1	42	-1.0	-48.99	350.20	1.92	-47.07
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC(=O)NC([O-])=C1)CC2	REAL300032651399	0	43	-1.0	-54.54	348.54	-0.61	-55.15
CCN1[N-]C(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)=CC1=O	REAL300032651441	0	46	-1.0	-62.47	369.24	3.50	-58.97
CN1[N-]C(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)=CC1=O	REAL300032651457	0	43	-1.0	-61.14	347.34	2.58	-58.56
O=C(CC1=CC(=O)NN1)N1CCC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300032651538	0	43	-1.0	-68.21	347.91	1.25	-66.96
O=C(CC1=CC(=O)N[N-]1)N1CCC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300032651538	1	43	-1.0	-68.21	347.91	1.25	-66.96
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=C(O)C(F)=C1)CC2	REAL300032651542	0	43	-1.0	-63.85	346.64	3.89	-59.96
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=C([O-])C(F)=C1)CC2	REAL300032651542	1	43	-1.0	-63.85	346.64	3.89	-59.96
CC1=CN=C(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)C(O)=C1	REAL300032651604	0	45	-1.0	-79.58	357.61	5.41	-74.17
CC1=CN=C(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)C([O-])=C1	REAL300032651604	1	45	-1.0	-79.58	357.61	5.41	-74.17
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC([O-])=CS1)CC2	REAL300032651617	0	40	-1.0	-71.79	332.45	2.85	-68.94
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CN([O-])C(=O)C=C1)CC2	REAL300032651628	0	43	-1.0	-60.94	354.94	4.53	-56.41
CN1[N-]C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)=CC1=O	REAL300032651725	0	43	-1.0	-55.79	346.95	2.51	-53.28
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O=C(NCCN(C(=O)C1=NSNC1=O)C1CCCCCC1)C1=CC(=O)N[N-]1	REAL300032652362	0	48	-1.0	-46.84	385.35	1.32	-45.52
O=C(NCCN(C(=O)C1=NSNC1=O)C1CCCCCC1)C1=NC(=O)N[N-]1	REAL300032652431	0	47	-1.0	-45.16	380.15	0.05	-45.11
O=C(NCCN(C(=O)C1=COC(=O)[N-]1)C1CCCCCC1)C1=NSNC1=O	REAL300032652737	1	47	-1.0	-54.54	381.46	1.01	-53.53
O=C(NCCN(C(=O)C1=CC(=O)N[N-]1)C1CCCCCC1)C1=NSNC1=O	REAL300032652788	0	48	-1.0	-56.60	386.13	1.01	-55.59
O=C(NCCN(C(=O)C1=NC(=O)N[N-]1)C1CCCCCC1)C1=NSNC1=O	REAL300032652796	0	47	-1.0	-55.02	380.35	0.31	-54.71
O=C(NCCN(C(=O)C1=CC(=O)[N-]O1)C1CCCCCC1)C1=NSNC1=O	REAL300032652914	0	47	-1.0	-63.56	380.44	1.20	-62.36
O=C(NCCN(C(=O)C1=NSNC1=O)C1CCCCCC1)C1=CC(=O)[N-]O1	REAL300032653054	0	47	-1.0	-51.77	380.09	1.81	-49.96
O=C(C1=NSNC1=O)N(CC1CC1)C1CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300032653384	1	45	-1.0	-58.28	372.20	3.07	-55.21
O=C(C1=NSNC1=O)N(CC1CC1)C1CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300032653466	0	46	-1.0	-60.84	377.07	2.97	-57.87
O=C(C1=NSNC1=O)N(CC1CC1)C1CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300032653537	0	45	-1.0	-58.58	371.92	2.40	-56.18
O=C(C1=COC(=O)[N-]1)N(CC1CC1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300032653854	1	45	-1.0	-55.85	371.78	3.51	-52.34
O=C(C1=CC(=O)N[N-]1)N(CC1CC1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300032653906	0	46	-1.0	-57.06	371.96	3.24	-53.82
O=C(C1=NC(=O)N[N-]1)N(CC1CC1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300032653916	0	45	-1.0	-55.51	367.24	3.13	-52.38
O=C(C1=CC(=O)[N-]O1)N(CC1CC1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300032654036	0	45	-1.0	-64.42	372.27	2.98	-61.44
O=C(C1=NSNC1=O)N(CC1CC1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300032654182	0	45	-1.0	-65.14	372.03	2.93	-62.21
COCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300032654480	1	45	-1.0	-59.84	369.61	1.22	-58.62
COCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300032654546	0	46	-1.0	-62.98	374.07	1.07	-61.91
COCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300032654605	0	45	-1.0	-61.20	369.72	0.58	-60.62
COCCN(C(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300032654885	1	45	-1.0	-53.12	371.53	1.23	-51.89
COCCN(C(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300032654930	0	46	-1.0	-57.05	376.42	0.63	-56.42
COCCN(C(=O)C1=NC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300032654937	0	45	-1.0	-54.40	371.29	0.31	-54.09
COCCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300032655039	0	45	-1.0	-61.18	371.62	0.54	-60.64
COCCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300032655157	0	45	-1.0	-67.60	369.86	1.17	-66.43
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300032655961	0	41	-1.0	-54.18	338.32	-2.40	-56.58
O=C(CN1C(=O)[N-]NC1=O)N1CC2CCCC(C1)N2C(=O)C1=NSNC1=O	REAL300032656012	0	43	-1.0	-54.61	350.28	0.66	-53.95
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300032656392	0	43	-1.0	-64.98	349.53	4.85	-60.13
CCN1[N-]C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)=CC1=O	REAL300032656599	0	46	-1.0	-51.13	366.48	4.00	-47.13
O=C(CC1=CC(=O)N[N-]1)N1CC2CCCC(C1)N2C(=O)C1=NSNC1=O	REAL300032656606	1	43	-1.0	-61.00	345.49	1.71	-59.29
CN1N=C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)[N-]C1=O	REAL300032656629	0	42	-1.0	-56.39	338.55	1.45	-54.94
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300032656686	0	41	-1.0	-45.86	329.97	2.82	-43.04
O=C(C1=CC(=O)N[N-]1)N1CC2CCCC(C1)N2C(=O)C1=NSNC1=O	REAL300032656751	0	40	-1.0	-50.20	321.25	1.31	-48.89
C[PH](C)([O-])C(=O)C(=O)N1CC2CCCC(C1)N2C(=O)C1=NSNC1=O	REAL300032656756	0	45	-1.0	-49.14	360.75	2.29	-46.85
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300032656780	0	43	-1.0	-72.93	343.96	4.71	-68.22
CC1SC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)=NC1=O	REAL300032656801	0	42	-1.0	-58.01	348.02	2.15	-55.86
CC1=C([O-])N=C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)S1	REAL300032656801	1	42	-1.0	-58.01	348.02	2.15	-55.86
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300032656817	0	43	-1.0	-61.42	349.55	4.91	-56.51
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300032656842	0	43	-1.0	-73.61	347.31	4.65	-68.96
O=C(CC1=NC([O-])=CS1)N1CC2CCCC(C1)N2C(=O)C1=NSNC1=O	REAL300032656956	0	42	-1.0	-72.66	351.34	1.00	-71.66
CC1=CC(=O)C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)=N[N-]1	REAL300032657110	0	44	-1.0	-52.49	351.92	4.89	-47.60
O=C(C1=NC(=O)N[N-]1)N1CC2CCCC(C1)N2C(=O)C1=NSNC1=O	REAL300032657120	0	39	-1.0	-44.08	315.79	0.68	-43.40
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=NC=CC=C1[O-]	REAL300032657462	1	42	-1.0	-61.60	333.18	4.91	-56.69
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=NNC(=O)[N-]C1=O	REAL300032657560	0	41	-1.0	-54.58	334.26	-0.99	-55.57
O=C(CN1C(=O)[N-]NC1=O)N1C2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300032657652	0	43	-1.0	-57.45	350.77	0.69	-56.76
N#CC1=CC([O-])=CC(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)=C1	REAL300032658462	1	44	-1.0	-53.29	360.87	4.52	-48.77
O=C(C1=COC(=O)[N-]1)N1C2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300032658529	1	39	-1.0	-51.31	317.00	1.46	-49.85
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=CC=C([O-])C=C1F	REAL300032658598	1	43	-1.0	-54.05	347.47	4.04	-50.01
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=CC([O-])=CC(=O)O1	REAL300032658602	0	42	-1.0	-52.36	343.44	3.24	-49.12
N#CC1=CC=C(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)C=C1[O-]	REAL300032658605	1	44	-1.0	-57.41	360.44	4.60	-52.81
CC1=CC=C([O-])C(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)=N1	REAL300032658656	1	45	-1.0	-61.77	355.98	5.59	-56.18
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=C[N-]N=CC1=O	REAL300032658667	0	41	-1.0	-47.35	335.80	2.76	-44.59
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=CC=CC(F)=C1[O-]	REAL300032658674	0	43	-1.0	-68.65	344.53	5.63	-63.02
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=CC=CC([O-])=C1F	REAL300032658738	1	43	-1.0	-66.17	344.85	4.11	-62.06
O=C(C1=CC(=O)N[N-]1)N1C2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300032658810	0	40	-1.0	-51.07	321.41	1.29	-49.78
C[PH](C)([O-])C(=O)C(=O)N1C2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300032658815	0	45	-1.0	-50.57	355.28	2.34	-48.23
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)N([O-])C=C1	REAL300032658865	0	43	-1.0	-65.69	353.54	4.79	-60.90
O=C(C1=NNC(=O)[N-]1)N1C2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300032658882	0	39	-1.0	-54.59	316.24	-0.22	-54.81
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=CC=CN([O-])C1=O	REAL300032658887	0	43	-1.0	-72.87	352.60	4.76	-68.11
NC1=CC(=O)[N-]C(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)=N1	REAL300032658965	0	43	-1.0	-59.70	345.24	0.96	-58.74
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=CC(F)=CC=C1[O-]	REAL300032658993	1	43	-1.0	-57.15	347.23	4.67	-52.48
CC1=CC=NC(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)=C1[O-]	REAL300032659035	1	45	-1.0	-60.79	354.71	5.69	-55.10
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=CN=CC([O-])=C1	REAL300032659095	1	42	-1.0	-46.17	333.00	2.34	-43.83
O=C(CC1=NC([O-])=CS1)N1C2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300032659188	0	42	-1.0	-67.58	351.62	1.03	-66.55
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=C([O-])C=CC=C1F	REAL300032659199	0	43	-1.0	-58.61	352.63	4.57	-54.04
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=CC=C(F)C=C1[O-]	REAL300032659200	0	43	-1.0	-59.96	347.24	4.62	-55.34
CC1=CC(=O)C(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300032659294	0	44	-1.0	-53.32	349.95	4.98	-48.34
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=CC=CC(=O)N1[O-]	REAL300032659309	0	43	-1.0	-64.83	341.06	4.91	-59.92
CN1N=C(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300032659355	0	42	-1.0	-57.21	339.00	1.44	-55.77
N#CC1=CC=C(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)C([O-])=C1	REAL300032659388	0	44	-1.0	-59.34	364.79	3.77	-55.57
N#CC1=CC=C([O-])C(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)=C1	REAL300032659394	0	44	-1.0	-53.73	364.91	3.76	-49.97
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=CC=C(F)C([O-])=C1	REAL300032659484	1	43	-1.0	-61.56	346.49	4.22	-57.34
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300032659534	0	41	-1.0	-42.49	335.26	-0.37	-42.86
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300032659534	1	41	-1.0	-42.49	335.26	-0.37	-42.86
NC1=NC=C(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)C(=O)N1	REAL300032659570	0	43	-1.0	-52.51	339.75	1.32	-51.19
NC1=NC=C(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300032659570	1	43	-1.0	-52.51	339.75	1.32	-51.19
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300032659658	0	39	-1.0	-55.30	316.84	1.40	-53.90
CC1SC(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)=NC1=O	REAL300032659674	0	42	-1.0	-58.01	349.08	2.05	-55.96
CC1=C([O-])N=C(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)S1	REAL300032659674	1	42	-1.0	-58.01	349.08	2.05	-55.96
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)NC([O-])=C1	REAL300032659773	0	43	-1.0	-50.53	343.24	-0.34	-50.87
CCN1[N-]C(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300032659815	0	46	-1.0	-54.26	366.07	3.91	-50.35
CN1[N-]C(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300032659831	0	43	-1.0	-53.58	344.26	2.97	-50.61
O=C(CC1=CC(=O)NN1)N1C2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300032659912	0	43	-1.0	-60.86	345.91	1.75	-59.11
O=C(CC1=CC(=O)N[N-]1)N1C2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300032659912	1	43	-1.0	-60.86	345.91	1.75	-59.11
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=CC=C(O)C(F)=C1	REAL300032659916	0	43	-1.0	-56.89	346.45	4.27	-52.62
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=CC=C([O-])C(F)=C1	REAL300032659916	1	43	-1.0	-56.89	346.45	4.27	-52.62
CC1=CN=C(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)C([O-])=C1	REAL300032659978	1	45	-1.0	-62.41	355.76	5.54	-56.87
O=C(C1=CC([O-])=CS1)N1C2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300032659991	0	40	-1.0	-59.20	331.20	2.94	-56.26
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=CN([O-])C(=O)C=C1	REAL300032660002	0	43	-1.0	-58.95	353.39	4.78	-54.17
CN1[N-]C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)=CC1=O	REAL300032660099	0	43	-1.0	-50.53	344.11	3.01	-47.52
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300032660194	0	41	-1.0	-41.71	334.62	-0.35	-42.06
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300032660194	1	41	-1.0	-41.71	334.62	-0.35	-42.06
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=NSNC1=O	REAL300032660300	0	39	-1.0	-55.51	316.39	1.26	-54.25
O=C(C1=COC(=O)[N-]1)N1CCC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300032661040	1	42	-1.0	-52.74	347.01	0.99	-51.75
O=C(CC1=CC(=O)N[N-]1)N1CCC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300032661118	1	46	-1.0	-68.09	376.65	1.53	-66.56
CN1N=C(C(=O)N2CCC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300032661127	0	45	-1.0	-63.85	369.39	1.29	-62.56
O=C(C1=NSNC1=O)N1CCCC2(CCN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300032661159	0	44	-1.0	-57.08	365.94	2.68	-54.40
O=C(C1=CC(=O)N[N-]1)N1CCC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300032661193	0	43	-1.0	-56.47	351.87	1.10	-55.37
O=C(C1=NC(=O)N[N-]1)N1CCC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300032661364	0	42	-1.0	-46.84	350.11	0.40	-46.44
O=C(C1=NSNC1=O)N1CCC2(C1)CCCN(C(=O)C1=NC=CC=C1[O-])C2	REAL300032661658	1	45	-1.0	-76.11	366.68	4.28	-71.83
O=C(C1=NSNC1=O)N1CCC2(C1)CCCN(C(=O)C1=COC(=O)[N-]1)C2	REAL300032662133	1	42	-1.0	-58.74	347.63	1.36	-57.38
O=C(C1=NSNC1=O)N1CCC2(C1)CCCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300032662204	0	44	-1.0	-53.19	359.26	2.68	-50.51
O=C(C1=NSNC1=O)N1CCC2(C1)CCCN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300032662263	0	43	-1.0	-50.38	352.93	1.27	-49.11
O=C(C1=NSNC1=O)N1CCC2(C1)CCCN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300032662297	0	42	-1.0	-55.81	346.46	0.59	-55.22
O=C(C1=NSNC1=O)N1CCC2(C1)CCCN(C(=O)C1=CN=CC([O-])=C1)C2	REAL300032662405	1	45	-1.0	-60.35	367.41	2.38	-57.97
CN1N=C(C(=O)N2CCCC3(CCN(C(=O)C4=NSNC4=O)C3)C2)[N-]C1=O	REAL300032662513	0	45	-1.0	-67.79	369.47	1.41	-66.38
O=C(C1=NSNC1=O)N1CCC2(C1)CCCN(C(=O)C1=CC=NC=C1[O-])C2	REAL300032662643	0	45	-1.0	-77.21	368.21	2.62	-74.59
O=C(C1=NSNC1=O)N1CCC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300032662646	0	42	-1.0	-62.36	347.45	1.22	-61.14
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CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300032671906	0	42	-1.0	-56.72	360.44	-1.71	-58.43
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300032672400	0	42	-1.0	-67.66	350.49	2.80	-64.86
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300032672495	0	42	-1.0	-51.20	355.47	-2.46	-53.66
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=COC(=O)[N-]1	REAL300032672506	1	38	-1.0	-53.48	328.16	-0.98	-54.46
CCN1[N-]C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2C)=CC1=O	REAL300032672654	0	45	-1.0	-53.76	371.77	2.04	-51.72
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)CC1=CC(=O)N[N-]1	REAL300032672661	1	42	-1.0	-58.95	355.43	-0.61	-59.56
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300032672676	0	42	-1.0	-74.02	365.27	3.37	-70.65
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300032672685	0	42	-1.0	-51.02	368.54	-2.09	-53.11
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300032672698	0	41	-1.0	-58.02	348.74	-0.83	-58.85
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300032672777	0	40	-1.0	-47.85	337.32	0.41	-47.44
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300032672862	0	39	-1.0	-52.60	333.02	-1.03	-53.63
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300032672866	0	44	-1.0	-50.67	366.02	-0.11	-50.78
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300032672896	0	42	-1.0	-65.42	353.73	2.28	-63.14
CC1SC(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2C)=NC1=O	REAL300032672921	0	41	-1.0	-59.29	358.26	-0.22	-59.51
CC1=C([O-])N=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2C)S1	REAL300032672921	1	41	-1.0	-59.29	358.26	-0.22	-59.51
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)C=C(Cl)N1	REAL300032672933	0	41	-1.0	-47.74	358.62	2.84	-44.90
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300032672933	1	41	-1.0	-47.74	358.62	2.84	-44.90
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300032672945	0	42	-1.0	-68.00	355.35	2.42	-65.58
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300032672974	0	42	-1.0	-70.11	354.18	2.74	-67.37
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300032673077	0	41	-1.0	-49.80	360.53	-1.02	-50.82
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300032673078	0	43	-1.0	-67.95	376.10	-2.19	-70.14
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)CC1=NC([O-])=CS1	REAL300032673116	0	41	-1.0	-69.10	361.28	-1.32	-70.42
CCC1=NC=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2C)C(=O)[N-]1	REAL300032673130	1	46	-1.0	-54.92	378.65	0.71	-54.21
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300032673139	0	43	-1.0	-59.93	370.79	-2.82	-62.75
CC1=CC(=O)C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2C)=N[N-]1	REAL300032673315	0	43	-1.0	-55.54	361.91	2.62	-52.92
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300032673328	0	38	-1.0	-52.03	326.06	-1.61	-53.64
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300032673416	0	41	-1.0	-65.66	367.42	0.00	-65.66
COC1=NC(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2C)=CC(=O)[N-]1	REAL300032673428	0	44	-1.0	-56.38	374.73	-2.73	-59.11
CC1CC(NC(=O)C2=NC=CC=C2[O-])CCN1C(=O)C1=NSNC1=O	REAL300032673680	1	41	-1.0	-58.98	343.49	2.22	-56.76
CC1CC(NC(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300032673803	0	40	-1.0	-52.91	343.00	-3.28	-56.19
CC1CC(NC(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)C1=NSNC1=O	REAL300032673963	0	42	-1.0	-52.67	353.12	-1.20	-53.87
CC1CC(NC(=O)C2=CC(Cl)=CC=C2[O-])CCN1C(=O)C1=NSNC1=O	REAL300032675282	1	42	-1.0	-56.45	362.99	4.45	-52.00
CC1CC(NC(=O)C2=CC([O-])=CC(C#N)=C2)CCN1C(=O)C1=NSNC1=O	REAL300032675307	1	43	-1.0	-47.32	369.56	2.71	-44.61
CCC1=NC=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C(C)C2)C(=O)[N-]1	REAL300032675390	1	46	-1.0	-46.89	376.53	1.31	-45.58
CC1CC(NC(=O)C2=COC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300032675408	1	38	-1.0	-49.21	326.91	-2.16	-51.37
CC1CC(NC(=O)C[N-]C(=O)C(F)(F)F)CCN1C(=O)C1=NSNC1=O	REAL300032675475	0	41	-1.0	-47.61	361.85	-1.29	-48.90
CC1CC(NC(=O)CC2=C([O-])N=C(N)S2)CCN1C(=O)C1=NSNC1=O	REAL300032675476	0	43	-1.0	-66.05	368.48	-1.78	-67.83
CC1CC(NC(=O)C2=C(F)C=C([O-])C=C2F)CCN1C(=O)C1=NSNC1=O	REAL300032675485	0	42	-1.0	-46.81	360.70	2.70	-44.11
CC1CC(NC(=O)C2=CC=C([O-])C=C2F)CCN1C(=O)C1=NSNC1=O	REAL300032675500	1	42	-1.0	-53.38	353.24	2.45	-50.93
CC1CC(NC(=O)C2=CC([O-])=CC(=O)O2)CCN1C(=O)C1=NSNC1=O	REAL300032675506	0	41	-1.0	-50.37	352.05	1.60	-48.77
CC1CC(NC(=O)C2=CC=C(C#N)C([O-])=C2)CCN1C(=O)C1=NSNC1=O	REAL300032675513	1	43	-1.0	-50.27	368.89	2.79	-47.48
CC1CC(NC(=O)C2=CC(Cl)=NC=C2[O-])CCN1C(=O)C1=NSNC1=O	REAL300032675516	0	41	-1.0	-53.26	358.41	2.55	-50.71
CC1CC(NC(=O)CN2N=CC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300032675532	0	43	-1.0	-57.75	367.46	-2.73	-60.48
CC1CC(NC(=O)C2=C[N-]N=CC2=O)CCN1C(=O)C1=NSNC1=O	REAL300032675610	0	40	-1.0	-42.83	337.52	1.09	-41.74
CC1CC(NC(=O)C2=CC=CC(F)=C2[O-])CCN1C(=O)C1=NSNC1=O	REAL300032675619	0	42	-1.0	-64.57	352.78	4.03	-60.54
CC1CC(NC(=O)C2=CC=CC([O-])=C2F)CCN1C(=O)C1=NSNC1=O	REAL300032675705	1	42	-1.0	-63.80	353.11	2.43	-61.37
CC1CC(NC(=O)C2=CC(=O)N[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300032675803	0	39	-1.0	-48.53	331.74	-1.17	-49.70
CC1CC(NC(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)C1=NSNC1=O	REAL300032675809	0	44	-1.0	-46.81	365.83	0.29	-46.52
CC1CC(NC(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)C1=NSNC1=O	REAL300032675896	0	42	-1.0	-67.20	354.76	2.90	-64.30
CC1CC(NC(=O)C2=NNC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300032675920	0	38	-1.0	-52.82	327.79	-2.54	-55.36
CC1CC(NC(=O)C2=C(O)C=CC=C2Cl)CCN1C(=O)C1=NSNC1=O	REAL300032675923	0	42	-1.0	-54.52	367.96	2.69	-51.83
CC1CC(NC(=O)C2=C([O-])C=CC=C2Cl)CCN1C(=O)C1=NSNC1=O	REAL300032675923	1	42	-1.0	-54.52	367.96	2.69	-51.83
CC1CC(NC(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)C1=NSNC1=O	REAL300032675927	0	42	-1.0	-59.93	351.63	3.03	-56.90
CC1CC(NC(=O)C2=C(F)C=CC(O)=C2F)CCN1C(=O)C1=NSNC1=O	REAL300032675956	0	42	-1.0	-52.91	360.55	2.66	-50.25
CC1CC(NC(=O)C2=C(F)C=CC([O-])=C2F)CCN1C(=O)C1=NSNC1=O	REAL300032675956	1	42	-1.0	-52.91	360.55	2.66	-50.25
CC1CC(NC(=O)C2=NC(N)=CC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300032676039	0	42	-1.0	-55.87	351.60	-1.35	-57.22
CC1CC(NC(=O)C2=CC=C([O-])C(Cl)=C2)CCN1C(=O)C1=NSNC1=O	REAL300032676086	0	42	-1.0	-50.29	364.71	2.94	-47.35
CC1CC(NC(=O)C2=CC(F)=CC=C2[O-])CCN1C(=O)C1=NSNC1=O	REAL300032676091	1	42	-1.0	-55.94	352.67	4.00	-51.94
CC1=CC=NC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C(C)C2)=C1[O-]	REAL300032676154	1	44	-1.0	-58.58	364.11	2.95	-55.63
CC1CC(NC(=O)C2=CN=CC([O-])=C2)CCN1C(=O)C1=NSNC1=O	REAL300032676258	1	41	-1.0	-55.05	343.74	0.54	-54.51
CC1CC(NC(=O)C2=CC=CC(=S)N2[O-])CCN1C(=O)C1=NSNC1=O	REAL300032676268	0	42	-1.0	-82.27	362.93	4.93	-77.34
CC1CC(NC(=O)C2=CC=C([O-])C(Cl)=N2)CCN1C(=O)C1=NSNC1=O	REAL300032676375	0	41	-1.0	-46.58	362.10	1.11	-45.47
CC1CC(NC(=O)C2=CC=C([O-])C=C2Cl)CCN1C(=O)C1=NSNC1=O	REAL300032676413	1	42	-1.0	-52.18	361.21	2.90	-49.28
CC1CC(NC(=O)CC2=NC([O-])=CS2)CCN1C(=O)C1=NSNC1=O	REAL300032676424	0	41	-1.0	-68.54	353.66	-0.92	-69.46
CC1CC(NC(=O)C2=C([O-])C=CC=C2F)CCN1C(=O)C1=NSNC1=O	REAL300032676439	1	42	-1.0	-55.19	358.47	2.31	-52.88
CC1CC(NC(=O)CN2[N-]C(=O)C=CC2=O)CCN1C(=O)C1=NSNC1=O	REAL300032676441	0	44	-1.0	-54.69	373.23	-0.63	-55.32
CC1CC(NC(=O)C2=CC=C(F)C=C2[O-])CCN1C(=O)C1=NSNC1=O	REAL300032676442	0	42	-1.0	-59.18	352.96	4.04	-55.14
CC1=CC=C(F)C([O-])=C1C(=O)NC1CCN(C(=O)C2=NSNC2=O)C(C)C1	REAL300032676472	0	45	-1.0	-57.39	373.31	3.21	-54.18
CC1CC(NC(=O)CC2SC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300032676534	0	42	-1.0	-48.27	365.52	-2.03	-50.30
CC1CC(NC(=O)C2=CC=C([O-])C(F)=C2F)CCN1C(=O)C1=NSNC1=O	REAL300032676559	0	42	-1.0	-56.49	360.89	2.62	-53.87
CC1CC(NC(=O)C2=CC=CC(Cl)=C2[O-])CCN1C(=O)C1=NSNC1=O	REAL300032676565	0	42	-1.0	-59.26	362.59	4.50	-54.76
CC1=CC(=O)C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C(C)C2)=N[N-]1	REAL300032676593	0	43	-1.0	-50.70	360.16	2.57	-48.13
CC1CC(NC(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)C1=NSNC1=O	REAL300032676618	0	42	-1.0	-78.35	351.82	3.89	-74.46
CC1CC(NC(=O)C2=CC=C(C#N)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300032676646	0	42	-1.0	-42.72	361.39	0.82	-41.90
CC1CC(NC(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300032676692	0	41	-1.0	-54.46	348.99	-0.97	-55.43
CC1CC(NC(=O)C2=C(F)C=CC(O)=C2O)CCN1C(=O)C1=NSNC1=O	REAL300032676741	0	43	-1.0	-55.51	364.61	0.73	-54.78
CC1CC(NC(=O)C2=C(F)C=CC(O)=C2[O-])CCN1C(=O)C1=NSNC1=O	REAL300032676741	1	43	-1.0	-55.51	364.61	0.73	-54.78
CC1CC(NC(=O)C2=CC(C#N)=CC=C2[O-])CCN1C(=O)C1=NSNC1=O	REAL300032676750	0	43	-1.0	-53.47	367.09	4.36	-49.11
CC1CC(NC(=O)C2=CN([O-])C(=O)NC2=O)CCN1C(=O)C1=NSNC1=O	REAL300032676833	0	42	-1.0	-50.58	358.46	0.58	-50.00
CC1CC(NC(=O)C2=CC=C(F)C(O)=C2)CCN1C(=O)C1=NSNC1=O	REAL300032676884	0	42	-1.0	-53.63	354.95	2.42	-51.21
CC1CC(NC(=O)C2=CC=C(F)C([O-])=C2)CCN1C(=O)C1=NSNC1=O	REAL300032676884	1	42	-1.0	-53.63	354.95	2.42	-51.21
CC1CC(NC(=O)C(F)(F)C(F)(F)F)CCN1C(=O)C1=NSNC1=O	REAL300032676894	0	37	-1.0	-42.70	331.16	1.24	-41.46
CC1CC([N-]C(=O)C(F)(F)C(F)(F)F)CCN1C(=O)C1=NSNC1=O	REAL300032676894	1	37	-1.0	-42.70	331.16	1.24	-41.46
CC1CC(NC(=O)C2=CC=C(Cl)C=C2O)CCN1C(=O)C1=NSNC1=O	REAL300032676902	0	42	-1.0	-58.73	363.28	4.49	-54.24
CC1CC(NC(=O)C2=CC=C(Cl)C=C2[O-])CCN1C(=O)C1=NSNC1=O	REAL300032676902	1	42	-1.0	-58.73	363.28	4.49	-54.24
CC1CC(NC(=O)C2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=NSNC1=O	REAL300032676969	0	40	-1.0	-52.13	344.56	-4.26	-56.39
CC1CC(NC(=O)C2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300032676969	1	40	-1.0	-45.45	345.50	-3.47	-48.92
CC1CC(NC(=O)C2=CN=C(N)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300032677023	1	42	-1.0	-47.50	349.84	-0.33	-47.83
CC1CC(NC(=O)C2=CC=C(F)C([O-])=C2F)CCN1C(=O)C1=NSNC1=O	REAL300032677056	0	42	-1.0	-64.74	360.86	2.60	-62.14
COC1=NC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C(C)C2)=CC(=O)[N-]1	REAL300032677098	0	44	-1.0	-54.28	374.02	-3.05	-57.33
CC1CC(NC(=O)C2=NC=CC(Cl)=C2[O-])CCN1C(=O)C1=NSNC1=O	REAL300032677107	0	41	-1.0	-55.28	359.69	2.74	-52.54
CC1CC(NC(=O)C2=CC=C(Cl)C([O-])=C2)CCN1C(=O)C1=NSNC1=O	REAL300032677145	0	42	-1.0	-49.78	364.75	2.90	-46.88
CC1CC(NC(=O)C2=CC=NC=C2[O-])CCN1C(=O)C1=NSNC1=O	REAL300032677154	1	41	-1.0	-59.86	343.40	2.25	-57.61
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NSNC1=O	REAL300032677160	0	38	-1.0	-53.03	326.18	-0.72	-53.75
CC1=C([O-])N=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C(C)C2)S1	REAL300032677182	1	41	-1.0	-55.62	358.51	-1.07	-56.69
CC1CC(NC(=O)C(=O)C2=CC=C([O-])C=C2)CCN1C(=O)C1=NSNC1=O	REAL300032677274	1	44	-1.0	-52.18	369.08	2.21	-49.97
CC1CC(NC(=O)C2=CN=C(C=N[O-])S2)CCN1C(=O)C1=NSNC1=O	REAL300032677293	0	41	-1.0	-64.09	368.68	0.52	-63.57
CC1CC(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300032677314	1	41	-1.0	-45.43	361.89	2.12	-43.31
CC1CC(NC(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)C1=NSNC1=O	REAL300032677334	0	42	-1.0	-48.19	354.55	-2.04	-50.23
CCN1[N-]C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C(C)C2)=CC1=O	REAL300032677391	0	45	-1.0	-52.79	377.84	1.57	-51.22
CC1CC(NC(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300032677410	0	42	-1.0	-52.09	356.11	0.64	-51.45
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300032677420	0	42	-1.0	-54.12	368.71	-1.36	-55.48
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CN1[N-]C(CC(=O)NCC2CCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300032685972	0	42	-1.0	-71.13	364.04	0.67	-70.46
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NC1=CC(=O)[N-]C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)=N1	REAL300032686296	0	39	-1.0	-67.47	344.71	-2.25	-69.72
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CC1=CC=NC(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)=C1[O-]	REAL300032686465	1	41	-1.0	-72.80	354.00	2.44	-70.36
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NC1=CC(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)=CC([O-])=C1Cl	REAL300032686805	1	41	-1.0	-58.57	366.23	0.35	-58.22
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CC1=CC=C(F)C([O-])=C1C(=O)NCC1CCCN1C(=O)C1=NSNC1=O	REAL300032686962	0	42	-1.0	-67.94	366.70	2.38	-65.56
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CC1=CC(=O)C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)=N[N-]1	REAL300032687130	0	40	-1.0	-63.27	349.26	2.12	-61.15
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CN1N=C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)[N-]C1=O	REAL300032687285	0	38	-1.0	-64.45	337.79	-1.47	-65.92
[N-]=[N+]=NC1=CC(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)=CC=C1[O-]	REAL300032687320	0	41	-1.0	-60.09	365.24	-0.30	-60.39
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O=C([N-]CC1CCCN1C(=O)C1=NSNC1=O)C(F)(F)C(F)(F)F	REAL300032687581	1	34	-1.0	-55.59	316.77	2.34	-53.25
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O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C1=NC(=O)NC(=O)[N-]1	REAL300032687691	1	37	-1.0	-53.55	334.31	-3.96	-57.51
O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C1=CC=C2N=NN([O-])C2=C1	REAL300032687725	0	41	-1.0	-73.37	360.82	0.88	-72.49
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NC1=NC=C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032687790	1	39	-1.0	-58.27	338.80	-0.82	-59.09
CC1=C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)[N-]C(=O)C(C#N)=C1	REAL300032687821	0	42	-1.0	-52.94	370.41	1.02	-51.92
O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C1=CC=C(F)C([O-])=C1F	REAL300032687841	0	39	-1.0	-74.88	349.19	1.95	-72.93
O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300032687901	1	40	-1.0	-57.00	357.73	1.33	-55.67
COC1=NC(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300032687907	0	41	-1.0	-63.48	361.10	-3.70	-67.18
O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C1=CC=C2N[N-]N=C2C1=O	REAL300032687909	0	41	-1.0	-55.62	354.88	0.63	-54.99
O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C1=NC=CC(Cl)=C1[O-]	REAL300032687922	0	38	-1.0	-68.90	349.88	2.27	-66.63
O=C(CC1=CC=C([O-])C(Cl)=C1)NCC1CCCN1C(=O)C1=NSNC1=O	REAL300032687928	1	42	-1.0	-71.61	378.20	3.06	-68.55
O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C1=CC=C(Cl)C([O-])=C1	REAL300032687969	0	39	-1.0	-68.15	353.54	2.38	-65.77
O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C1=CC=NC=C1[O-]	REAL300032687980	1	38	-1.0	-73.50	330.63	1.70	-71.80
O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300032687990	0	35	-1.0	-60.85	315.27	-1.17	-62.02
CC1=C([O-])N=C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)S1	REAL300032688025	1	38	-1.0	-61.88	347.07	-1.52	-63.40
O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300032688095	1	45	-1.0	-79.50	380.30	5.81	-73.69
O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300032688103	1	45	-1.0	-82.74	381.39	5.76	-76.98
O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C=C1	REAL300032688153	1	41	-1.0	-60.26	357.84	1.71	-58.55
O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C1=CN=C(C=N[O-])S1	REAL300032688190	0	38	-1.0	-69.99	355.91	-0.07	-70.06
O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300032688225	1	38	-1.0	-54.97	350.69	1.62	-53.35
CSC1=NC=C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032688251	1	41	-1.0	-58.27	366.70	0.34	-57.93
O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C1=CC(=O)NC([O-])=C1	REAL300032688259	0	39	-1.0	-56.47	343.63	-2.49	-58.96
CCN1[N-]C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300032688341	0	42	-1.0	-61.72	365.07	0.98	-60.74
CN1[N-]C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300032688363	0	39	-1.0	-60.93	343.34	0.05	-60.88
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=NSNC1=O	REAL300032688380	0	39	-1.0	-62.39	357.52	-1.85	-64.24
CC1=C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)C(=S)[N-]C(=O)N1	REAL300032688382	1	41	-1.0	-60.04	361.29	-0.06	-60.10
O=C(CC1=CC(=O)N[N-]1)NCC1CCCN1C(=O)C1=NSNC1=O	REAL300032688558	1	39	-1.0	-69.45	341.20	-1.02	-70.47
O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C1=CC=C([O-])C(F)=C1	REAL300032688564	1	39	-1.0	-64.57	343.71	1.93	-62.64
O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C1=CC(F)=C([O-])C(F)=C1	REAL300032688626	0	39	-1.0	-62.51	349.91	2.03	-60.48
O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C1=CC=NC(Cl)=C1[O-]	REAL300032688632	0	38	-1.0	-70.76	347.92	2.09	-68.67
CC1=C(CC(=O)NCC2CCCN2C(=O)C2=NSNC2=O)C(=O)N(C)[N-]1	REAL300032688652	0	45	-1.0	-73.11	384.02	1.38	-71.73
CC1=CN=C(C(=O)NCC2CCCN2C(=O)C2=NSNC2=O)C([O-])=C1	REAL300032688701	1	41	-1.0	-75.23	354.03	2.43	-72.80
O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C1=C(O)C=CC(Cl)=C1[O-]	REAL300032688715	0	40	-1.0	-64.76	367.71	-0.46	-65.22
O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C1=CC([O-])=CS1	REAL300032688735	0	36	-1.0	-67.98	329.76	0.80	-67.18
O=C(NCC1CCCN1C(=O)C1=NSNC1=O)C1=CN([O-])C(=O)C=C1	REAL300032688757	0	39	-1.0	-75.92	343.17	2.41	-73.51
CC1(NC(=O)C2=NNC(=O)[N-]C2=O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032690559	0	40	-1.0	-60.51	338.23	-3.02	-63.53
CC1(NC(=O)CN2C(=O)[N-]NC2=O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032690628	0	42	-1.0	-61.88	352.34	-1.22	-63.10
CC1(NC(=O)C2=CN([O-])C(=O)C=C2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032691122	0	42	-1.0	-66.17	349.56	3.29	-62.88
CC1(NC(=O)C2=CC(=O)NC([O-])=C2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032691217	0	42	-1.0	-48.15	350.03	-1.62	-49.77
CC1(NC(=O)C2=COC(=O)[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032691228	1	38	-1.0	-53.69	321.83	-1.82	-55.51
CCN1[N-]C(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032691376	0	45	-1.0	-58.62	371.21	1.82	-56.80
CC1(NC(=O)CC2=CC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032691383	1	42	-1.0	-65.44	347.34	-0.19	-65.63
CC1(NC(=O)C2=CC=CC(=S)N2[O-])CCN(C(=O)C2=NSNC2=O)CC1	REAL300032691398	0	42	-1.0	-80.71	357.86	5.13	-75.58
CC1(NC(=O)CC2SC(=O)[N-]C2=O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032691407	0	42	-1.0	-56.71	360.46	-1.68	-58.39
CN1N=C(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300032691420	0	41	-1.0	-61.89	343.99	-0.61	-62.50
CC1(NC(=O)C2=C[N-]N=CC2=O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032691499	0	40	-1.0	-42.81	330.89	1.34	-41.47
CC1(NC(=O)C2=CC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032691584	0	39	-1.0	-55.13	326.66	-0.82	-55.95
CC1(NC(=O)C(=O)[PH](C)(C)[O-])CCN(C(=O)C2=NSNC2=O)CC1	REAL300032691588	0	44	-1.0	-45.59	361.09	0.70	-44.89
CC1(NC(=O)C2=CC=CN([O-])C2=O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032691618	0	42	-1.0	-62.40	346.84	3.41	-58.99
CC1SC(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)CC2)=NC1=O	REAL300032691643	0	41	-1.0	-59.48	353.43	-0.70	-60.18
CC1=C([O-])N=C(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)CC2)S1	REAL300032691643	1	41	-1.0	-59.48	353.43	-0.70	-60.18
CC1(NC(=O)C2=CC(=O)C=C(Cl)N2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032691655	0	41	-1.0	-45.14	357.09	2.51	-42.63
CC1(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032691655	1	41	-1.0	-45.14	357.09	2.51	-42.63
CC1(NC(=O)C2=CC(=O)N([O-])C=C2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032691667	0	42	-1.0	-66.92	349.94	3.28	-63.64
CC1(NC(=O)C2=CC=CC(=O)N2[O-])CCN(C(=O)C2=NSNC2=O)CC1	REAL300032691696	0	42	-1.0	-76.93	346.75	4.09	-72.84
CC1(NC(=O)CC2=C([O-])N=C(N)S2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032691800	0	43	-1.0	-76.63	368.00	-1.78	-78.41
CC1(NC(=O)CC2=NC([O-])=CS2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032691838	0	41	-1.0	-78.16	353.19	-0.91	-79.07
CCC1=NC=C(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)CC2)C(=O)N1	REAL300032691852	0	46	-1.0	-48.91	371.92	1.70	-47.21
CCC1=NC=C(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300032691852	1	46	-1.0	-48.91	371.92	1.70	-47.21
CC1=CC(=O)C(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300032692037	0	43	-1.0	-49.99	355.69	2.87	-47.12
CC1(NC(=O)C2=NC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032692050	0	38	-1.0	-54.04	321.27	-2.11	-56.15
CC1(NC(=O)C2=CN=C(C=N[O-])S2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032692138	0	41	-1.0	-63.80	362.04	0.76	-63.04
COC1=NC(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)CC2)=CC(=O)[N-]1	REAL300032692150	0	44	-1.0	-60.81	367.39	-2.80	-63.61
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300032692402	1	41	-1.0	-61.86	338.77	2.77	-59.09
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1	REAL300032692525	0	40	-1.0	-56.46	339.40	-3.25	-59.71
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)CN2C(=O)[N-]NC2=O)CC1	REAL300032692685	0	42	-1.0	-54.96	355.38	-1.59	-56.55
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC1	REAL300032694004	1	42	-1.0	-58.73	364.45	2.98	-55.75
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)CC1	REAL300032694029	1	43	-1.0	-53.96	367.45	2.41	-51.55
CCC1=NC=C(C(=O)N2CCC(C)(NC(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300032694112	1	46	-1.0	-54.30	375.84	0.84	-53.46
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300032694130	1	38	-1.0	-46.07	321.41	-0.80	-46.87
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C[N-]C(=O)C(F)(F)F)CC1	REAL300032694197	0	41	-1.0	-50.69	359.83	-1.30	-51.99
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)CC2=C([O-])N=C(N)S2)CC1	REAL300032694198	0	43	-1.0	-68.50	371.06	-2.08	-70.58
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=C(F)C=C([O-])C=C2F)CC1	REAL300032694207	0	42	-1.0	-51.25	363.43	2.33	-48.92
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C([O-])C=C2F)CC1	REAL300032694222	1	42	-1.0	-55.51	353.30	2.13	-53.38
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1	REAL300032694228	0	41	-1.0	-50.00	349.13	1.53	-48.47
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)CC1	REAL300032694235	1	43	-1.0	-60.61	365.54	2.44	-58.17
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(Cl)=NC=C2[O-])CC1	REAL300032694238	0	41	-1.0	-55.61	359.75	0.92	-54.69
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)CN2N=CC(=O)[N-]C2=O)CC1	REAL300032694254	0	43	-1.0	-59.48	365.74	-2.69	-62.17
CC1=CC=C([O-])C(C(=O)N2CCC(C)(NC(=O)C3=NSNC3=O)CC2)=N1	REAL300032694314	1	44	-1.0	-62.57	360.39	3.32	-59.25
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)CCC2=NC(=O)[N-]N2)CC1	REAL300032694316	1	44	-1.0	-62.65	365.67	-1.45	-64.10
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300032694332	0	40	-1.0	-50.24	339.62	0.58	-49.66
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1	REAL300032694341	0	42	-1.0	-65.85	352.86	2.45	-63.40
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CC([O-])=C2F)CC1	REAL300032694427	1	42	-1.0	-64.30	353.13	2.13	-62.17
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300032694525	0	39	-1.0	-51.91	326.66	-0.89	-52.80
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C(=O)[PH](C)(C)[O-])CC1	REAL300032694531	0	44	-1.0	-49.57	361.23	0.49	-49.08
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1	REAL300032694618	0	42	-1.0	-68.38	351.37	2.57	-65.81
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=NNC(=O)[N-]2)CC1	REAL300032694642	0	38	-1.0	-55.38	321.35	-2.39	-57.77
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=C(O)C=CC=C2Cl)CC1	REAL300032694645	0	42	-1.0	-57.46	366.39	2.68	-54.78
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=C([O-])C=CC=C2Cl)CC1	REAL300032694645	1	42	-1.0	-57.46	366.39	2.68	-54.78
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CN([O-])C2=O)CC1	REAL300032694649	0	42	-1.0	-72.09	355.93	2.73	-69.36
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=C(F)C=CC(O)=C2F)CC1	REAL300032694678	0	42	-1.0	-57.70	363.26	2.29	-55.41
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=C(F)C=CC([O-])=C2F)CC1	REAL300032694678	1	42	-1.0	-57.70	363.26	2.29	-55.41
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(F)=CC=C2O)CC1	REAL300032694813	0	42	-1.0	-58.34	354.13	2.52	-55.82
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300032694813	1	42	-1.0	-58.34	354.13	2.52	-55.82
CC1=CC=NC(C(=O)N2CCC(C)(NC(=O)C3=NSNC3=O)CC2)=C1O	REAL300032694876	0	44	-1.0	-61.68	359.11	3.44	-58.24
CC1=CC=NC(C(=O)N2CCC(C)(NC(=O)C3=NSNC3=O)CC2)=C1[O-]	REAL300032694876	1	44	-1.0	-61.68	359.11	3.44	-58.24
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300032694980	1	41	-1.0	-54.25	341.43	0.24	-54.01
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CC(=S)N2[O-])CC1	REAL300032694990	0	42	-1.0	-80.24	367.89	3.17	-77.07
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC1	REAL300032695097	0	41	-1.0	-45.36	357.60	1.55	-43.81
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C([O-])C=C2Cl)CC1	REAL300032695135	1	42	-1.0	-54.68	361.99	2.56	-52.12
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)CC2=NC([O-])=CS2)CC1	REAL300032695146	0	41	-1.0	-67.55	356.23	-1.22	-68.77
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=C([O-])C=CC=C2F)CC1	REAL300032695161	0	42	-1.0	-58.30	356.89	2.30	-56.00
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)CN2[N-]C(=O)C=CC2=O)CC1	REAL300032695163	0	44	-1.0	-55.90	371.50	-0.61	-56.51
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C(F)C=C2[O-])CC1	REAL300032695164	0	42	-1.0	-60.40	353.05	2.45	-57.95
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC(C)(NC(=O)C2=NSNC2=O)CC1	REAL300032695194	0	45	-1.0	-65.55	376.33	2.85	-62.70
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)CC2SC(=O)[N-]C2=O)CC1	REAL300032695256	0	42	-1.0	-49.86	363.76	-1.97	-51.83
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C([O-])C(F)=C2F)CC1	REAL300032695281	0	42	-1.0	-57.24	360.50	2.23	-55.01
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CC(Cl)=C2[O-])CC1	REAL300032695287	0	42	-1.0	-60.75	362.67	2.94	-57.81
CC1=CC(=O)C(C(=O)N2CCC(C)(NC(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300032695315	0	43	-1.0	-54.60	355.55	2.80	-51.80
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1	REAL300032695340	0	42	-1.0	-76.59	356.78	2.52	-74.07
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)CC1	REAL300032695368	0	42	-1.0	-53.17	365.63	0.44	-52.73
CN1N=C(C(=O)N2CCC(C)(NC(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300032695414	0	41	-1.0	-56.53	344.07	-0.72	-57.25
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=C(F)C=CC(O)=C2O)CC1	REAL300032695463	0	43	-1.0	-60.17	367.63	0.39	-59.78
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC1	REAL300032695463	1	43	-1.0	-60.17	367.63	0.39	-59.78
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(C#N)=CC=C2[O-])CC1	REAL300032695472	0	43	-1.0	-55.14	368.56	2.90	-52.24
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1	REAL300032695555	0	42	-1.0	-55.95	361.03	0.09	-55.86
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C(F)C(O)=C2)CC1	REAL300032695606	0	42	-1.0	-64.61	351.61	2.07	-62.54
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1	REAL300032695606	1	42	-1.0	-64.61	351.61	2.07	-62.54
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C(Cl)C=C2O)CC1	REAL300032695624	0	42	-1.0	-60.17	363.37	2.90	-57.27
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C(Cl)C=C2[O-])CC1	REAL300032695624	1	42	-1.0	-60.17	363.37	2.90	-57.27
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1	REAL300032695691	0	40	-1.0	-56.61	339.96	-3.32	-59.93
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1	REAL300032695691	1	40	-1.0	-49.60	340.78	-2.63	-52.23
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CN=C(N)[N-]C2=O)CC1	REAL300032695745	1	42	-1.0	-54.76	349.04	-0.79	-55.55
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C(F)C([O-])=C2F)CC1	REAL300032695778	0	42	-1.0	-64.59	360.45	2.22	-62.37
COC1=NC(C(=O)N2CCC(C)(NC(=O)C3=NSNC3=O)CC2)=CC(=O)[N-]1	REAL300032695820	0	44	-1.0	-54.44	365.29	-2.34	-56.78
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC=CC(Cl)=C2[O-])CC1	REAL300032695829	0	41	-1.0	-58.07	354.99	3.25	-54.82
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)CC1	REAL300032695867	0	42	-1.0	-57.87	363.20	2.61	-55.26
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=NC=C2[O-])CC1	REAL300032695876	0	41	-1.0	-63.75	341.74	0.45	-63.30
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300032695882	0	38	-1.0	-57.01	321.56	-0.82	-57.83
CC1=C([O-])N=C(C(=O)N2CCC(C)(NC(=O)C3=NSNC3=O)CC2)S1	REAL300032695904	1	41	-1.0	-51.21	353.19	-0.12	-51.33
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC1	REAL300032695996	1	44	-1.0	-54.77	373.12	2.07	-52.70
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CN=C(C=N[O-])S2)CC1	REAL300032696015	0	41	-1.0	-65.19	361.98	0.09	-65.10
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1	REAL300032696036	1	41	-1.0	-49.10	358.65	2.47	-46.63
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1	REAL300032696056	0	42	-1.0	-51.37	356.69	-2.16	-53.53
CCN1[N-]C(C(=O)N2CCC(C)(NC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032696113	0	45	-1.0	-54.69	370.81	1.73	-52.96
CN1[N-]C(C(=O)N2CCC(C)(NC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032696132	0	42	-1.0	-54.21	349.45	0.84	-53.37
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300032696142	0	42	-1.0	-55.20	366.68	-1.24	-56.44
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)CC2=CC(=O)N[N-]2)CC1	REAL300032696269	1	42	-1.0	-57.60	350.35	-0.52	-58.12
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300032696274	1	42	-1.0	-56.83	351.58	2.11	-54.72
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC1	REAL300032696320	0	42	-1.0	-54.94	359.61	2.25	-52.69
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=NC(Cl)=C2[O-])CC1	REAL300032696325	0	41	-1.0	-59.35	359.06	0.98	-58.37
CC1=C(CC(=O)N2CCC(C)(NC(=O)C3=NSNC3=O)CC2)C(=O)N(C)[N-]1	REAL300032696340	0	48	-1.0	-59.92	393.24	1.90	-58.02
CC1=CN=C(C(=O)N2CCC(C)(NC(=O)C3=NSNC3=O)CC2)C([O-])=C1	REAL300032696376	1	44	-1.0	-63.22	360.25	3.39	-59.83
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC([O-])=CS2)CC1	REAL300032696397	0	39	-1.0	-60.78	336.93	0.99	-59.79
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1	REAL300032696413	0	42	-1.0	-67.48	357.49	2.80	-64.68
CN1[N-]C(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032696551	0	42	-1.0	-57.78	349.40	0.88	-56.90
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032696558	0	42	-1.0	-60.20	363.65	-0.99	-61.19
CC1(NC(=O)C2=NC(=O)[N-]C(=O)N2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032696682	0	40	-1.0	-56.95	339.80	-3.87	-60.82
CC1(NC(=O)C2=NC(=O)NC(=O)[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032696682	1	40	-1.0	-51.12	340.44	-3.12	-54.24
CC1(NC(=O)CN2[N-]C(=O)C=CC2=O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032696802	0	44	-1.0	-62.39	368.45	-0.24	-62.63
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032696808	0	38	-1.0	-59.55	321.41	-0.35	-59.90
CC1(NC(=O)C2=CN([O-])C(=O)NC2=O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032696817	0	42	-1.0	-50.82	352.10	0.90	-49.92
C#CCN(C(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300032697920	1	40	-1.0	-55.59	346.30	2.37	-53.22
C#CCN(C(=O)CC1=CC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300032697992	1	44	-1.0	-61.03	376.62	2.11	-58.92
C#CCN(C(=O)C1=NN(C)C(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300032697998	0	43	-1.0	-65.20	368.59	2.12	-63.08
C#CCN(C(=O)C1=C[N-]N=CC1=O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300032698027	0	42	-1.0	-53.54	365.69	3.16	-50.38
C#CCN(C(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300032698058	0	41	-1.0	-58.65	351.18	1.99	-56.66
C#CCN(C(=O)C1=NC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300032698213	0	40	-1.0	-56.82	346.05	1.55	-55.27
C#CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300032698496	1	43	-1.0	-76.46	363.23	5.58	-70.88
C#CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300032699021	1	40	-1.0	-58.19	346.02	2.10	-56.09
C#CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300032699097	0	42	-1.0	-52.96	356.58	3.36	-49.60
C#CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300032699160	0	41	-1.0	-61.16	351.09	1.95	-59.21
C#CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300032699194	0	40	-1.0	-59.26	345.88	1.32	-57.94
C#CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300032699313	1	43	-1.0	-59.61	366.04	3.10	-56.51
C#CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1	REAL300032699430	0	43	-1.0	-68.42	368.27	2.16	-66.26
C#CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=NC=C2[O-])CC1	REAL300032699574	0	43	-1.0	-78.72	362.06	4.38	-74.34
C#CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300032699577	0	40	-1.0	-65.57	346.12	1.92	-63.65
C#CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1	REAL300032699668	0	44	-1.0	-64.14	373.91	3.65	-60.49
C#CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=CC(=O)N[N-]2)CC1	REAL300032699718	1	44	-1.0	-69.94	374.96	2.38	-67.56
C#CCN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC([O-])=CS2)CC1	REAL300032699764	0	41	-1.0	-73.61	361.00	3.82	-69.79
C#CCN(C(=O)C1=CC(=O)N(C)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300032699821	0	44	-1.0	-55.35	375.40	3.55	-51.80
C#CCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300032699919	0	40	-1.0	-63.27	346.35	1.96	-61.31
O=C(NCC(NC(=O)C1=NNC(=O)[N-]C1=O)C1CCCC1)C1=NSNC1=O	REAL300032700737	0	43	-1.0	-52.05	372.57	-3.55	-55.60
O=C(CN1C(=O)[N-]NC1=O)NC(CNC(=O)C1=NSNC1=O)C1CCCC1	REAL300032700786	0	45	-1.0	-51.01	390.15	-1.67	-52.68
O=C(NCC(NC(=O)C1=CN([O-])C(=O)C=C1)C1CCCC1)C1=NSNC1=O	REAL300032701132	0	45	-1.0	-64.80	383.68	2.58	-62.22
O=C(NCC(NC(=O)C1=CC(=O)NC([O-])=C1)C1CCCC1)C1=NSNC1=O	REAL300032701207	0	45	-1.0	-46.78	384.35	-1.87	-48.65
O=C(NCC(NC(=O)C1=COC(=O)[N-]1)C1CCCC1)C1=NSNC1=O	REAL300032701218	1	41	-1.0	-48.53	356.42	-2.05	-50.58
CCN1[N-]C(C(=O)NC(CNC(=O)C2=NSNC2=O)C2CCCC2)=CC1=O	REAL300032701323	0	48	-1.0	-50.69	405.55	1.17	-49.52
O=C(CC1=CC(=O)N[N-]1)NC(CNC(=O)C1=NSNC1=O)C1CCCC1	REAL300032701330	1	45	-1.0	-55.89	385.15	-0.64	-56.53
CN1N=C(C(=O)NC(CNC(=O)C2=NSNC2=O)C2CCCC2)[N-]C1=O	REAL300032701349	0	44	-1.0	-52.61	378.25	-0.73	-53.34
O=C(NCC(NC(=O)C1=C[N-]N=CC1=O)C1CCCC1)C1=NSNC1=O	REAL300032701401	0	43	-1.0	-41.06	364.92	1.13	-39.93
O=C(NCC(NC(=O)C1=CC(=O)N[N-]1)C1CCCC1)C1=NSNC1=O	REAL300032701459	0	42	-1.0	-46.97	361.00	-0.93	-47.90
C[PH](C)([O-])C(=O)C(=O)NC(CNC(=O)C1=NSNC1=O)C1CCCC1	REAL300032701464	0	47	-1.0	-46.11	393.86	0.35	-45.76
O=C(NCC(NC(=O)C1=CC=CN([O-])C1=O)C1CCCC1)C1=NSNC1=O	REAL300032701484	0	45	-1.0	-59.47	379.22	3.21	-56.26
CC1SC(C(=O)NC(CNC(=O)C2=NSNC2=O)C2CCCC2)=NC1=O	REAL300032701503	0	44	-1.0	-53.90	387.55	-1.37	-55.27
CC1=C([O-])N=C(C(=O)NC(CNC(=O)C2=NSNC2=O)C2CCCC2)S1	REAL300032701503	1	44	-1.0	-53.90	387.55	-1.37	-55.27
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O=C(NCC(NC(=O)C1=CC=CC(=O)N1[O-])C1CCCC1)C1=NSNC1=O	REAL300032701540	0	45	-1.0	-77.39	381.14	3.58	-73.81
O=C(CC1=NC([O-])=CS1)NC(CNC(=O)C1=NSNC1=O)C1CCCC1	REAL300032701642	0	44	-1.0	-68.12	391.00	-1.34	-69.46
CC1=CC(=O)C(C(=O)NC(CNC(=O)C2=NSNC2=O)C2CCCC2)=N[N-]1	REAL300032701781	0	46	-1.0	-50.27	389.73	2.30	-47.97
O=C(NCC(NC(=O)C1=NNC(=O)[N-]1)C1CCCC1)C1=NSNC1=O	REAL300032701791	0	41	-1.0	-50.72	355.50	-2.95	-53.67
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O=C(CN1C(=O)[N-]NC1=O)NCC(NC(=O)C1=NSNC1=O)C1CCCC1	REAL300032702302	0	45	-1.0	-54.56	386.93	-1.45	-56.01
O=C(NCC(NC(=O)C1=NSNC1=O)C1CCCC1)C1=COC(=O)[N-]1	REAL300032703098	1	41	-1.0	-55.89	361.31	-2.19	-58.08
O=C(NC(CNC(=O)C1=CC=C([O-])C=C1F)C1CCCC1)C1=NSNC1=O	REAL300032703160	1	45	-1.0	-52.13	382.51	2.12	-50.01
O=C(NC(CNC(=O)C1=CC([O-])=CC(=O)O1)C1CCCC1)C1=NSNC1=O	REAL300032703163	0	44	-1.0	-50.15	381.33	1.29	-48.86
O=C(CCC1=NC(=O)[N-]N1)NCC(NC(=O)C1=NSNC1=O)C1CCCC1	REAL300032703211	1	47	-1.0	-61.82	397.17	-1.38	-63.20
O=C(NC(CNC(=O)C1=C[N-]N=CC1=O)C1CCCC1)C1=NSNC1=O	REAL300032703220	0	43	-1.0	-45.72	365.22	1.21	-44.51
O=C(NC(CNC(=O)C1=CC=CC(F)=C1[O-])C1CCCC1)C1=NSNC1=O	REAL300032703227	0	45	-1.0	-63.45	381.76	3.85	-59.60
O=C(NC(CNC(=O)C1=CC=CC([O-])=C1F)C1CCCC1)C1=NSNC1=O	REAL300032703282	1	45	-1.0	-62.01	382.08	2.23	-59.78
O=C(NCC(NC(=O)C1=NSNC1=O)C1CCCC1)C1=CC(=O)N[N-]1	REAL300032703347	0	42	-1.0	-48.42	361.01	-1.48	-49.90
C[PH](C)([O-])C(=O)C(=O)NCC(NC(=O)C1=NSNC1=O)C1CCCC1	REAL300032703352	0	47	-1.0	-52.35	399.63	0.19	-52.16
O=C(NC(CNC(=O)C1=CC(=O)N([O-])C=C1)C1CCCC1)C1=NSNC1=O	REAL300032703398	0	45	-1.0	-64.82	383.73	2.70	-62.12
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O=C(NC(CNC(=O)C1=CC(F)=CC=C1O)C1CCCC1)C1=NSNC1=O	REAL300032703514	0	45	-1.0	-55.11	381.95	3.85	-51.26
O=C(NC(CNC(=O)C1=CC(F)=CC=C1[O-])C1CCCC1)C1=NSNC1=O	REAL300032703514	1	45	-1.0	-55.11	381.95	3.85	-51.26
CC1=CC=NC(C(=O)NCC(NC(=O)C2=NSNC2=O)C2CCCC2)=C1O	REAL300032703555	0	47	-1.0	-62.90	398.51	2.94	-59.96
CC1=CC=NC(C(=O)NCC(NC(=O)C2=NSNC2=O)C2CCCC2)=C1[O-]	REAL300032703555	1	47	-1.0	-62.90	398.51	2.94	-59.96
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O=C(NC(CNC(=O)C1=C([O-])C=CC=C1F)C1CCCC1)C1=NSNC1=O	REAL300032703700	1	45	-1.0	-57.31	392.87	2.29	-55.02
CC1=CC(=O)C(C(=O)NCC(NC(=O)C2=NSNC2=O)C2CCCC2)=N[N-]1	REAL300032703785	0	46	-1.0	-51.07	389.73	2.31	-48.76
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CN1N=C(C(=O)NCC(NC(=O)C2=NSNC2=O)C2CCCC2)[N-]C1=O	REAL300032703842	0	44	-1.0	-53.61	377.97	-1.15	-54.76
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O=C(NC(CNC(=O)C1=CC=C(F)C([O-])=C1)C1CCCC1)C1=NSNC1=O	REAL300032703957	1	45	-1.0	-52.28	383.92	2.21	-50.07
O=C(NC(CNC(=O)C1=NC(=O)[N-]C(=O)N1)C1CCCC1)C1=NSNC1=O	REAL300032704004	0	43	-1.0	-49.14	374.50	-3.35	-52.49
O=C(NC(CNC(=O)C1=NC(=O)NC(=O)[N-]1)C1CCCC1)C1=NSNC1=O	REAL300032704004	1	43	-1.0	-49.14	374.50	-3.35	-52.49
NC1=NC=C(C(=O)NCC(NC(=O)C2=NSNC2=O)C2CCCC2)C(=O)N1	REAL300032704039	0	45	-1.0	-48.00	378.95	-0.64	-48.64
NC1=NC=C(C(=O)NCC(NC(=O)C2=NSNC2=O)C2CCCC2)C(=O)[N-]1	REAL300032704039	1	45	-1.0	-48.00	378.95	-0.64	-48.64
O=C(NC(CNC(=O)C1=CC=NC=C1O)C1CCCC1)C1=NSNC1=O	REAL300032704115	0	44	-1.0	-57.94	371.12	1.85	-56.09
O=C(NC(CNC(=O)C1=CC=NC=C1[O-])C1CCCC1)C1=NSNC1=O	REAL300032704115	1	44	-1.0	-57.94	371.12	1.85	-56.09
O=C(NCC(NC(=O)C1=NSNC1=O)C1CCCC1)C1=CC(=O)[N-]O1	REAL300032704120	0	41	-1.0	-54.33	355.75	-0.47	-54.80
CC1SC(C(=O)NCC(NC(=O)C2=NSNC2=O)C2CCCC2)=NC1=O	REAL300032704135	0	44	-1.0	-55.51	387.55	-1.37	-56.88
CC1=C([O-])N=C(C(=O)NCC(NC(=O)C2=NSNC2=O)C2CCCC2)S1	REAL300032704135	1	44	-1.0	-55.51	387.55	-1.37	-56.88
O=C(NC(CNC(=O)C1=CC(=O)NC([O-])=C1)C1CCCC1)C1=NSNC1=O	REAL300032704227	0	45	-1.0	-47.71	384.11	-2.30	-50.01
CCN1[N-]C(C(=O)NCC(NC(=O)C2=NSNC2=O)C2CCCC2)=CC1=O	REAL300032704265	0	48	-1.0	-55.71	410.68	1.43	-54.28
CN1[N-]C(C(=O)NCC(NC(=O)C2=NSNC2=O)C2CCCC2)=CC1=O	REAL300032704281	0	45	-1.0	-50.80	383.83	0.23	-50.57
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O=C(NC(CNC(=O)C1=CC=C([O-])C(F)=C1)C1CCCC1)C1=NSNC1=O	REAL300032704363	1	45	-1.0	-52.32	383.89	2.24	-50.08
CC1=CN=C(C(=O)NCC(NC(=O)C2=NSNC2=O)C2CCCC2)C(O)=C1	REAL300032704419	0	47	-1.0	-60.56	394.51	2.59	-57.97
CC1=CN=C(C(=O)NCC(NC(=O)C2=NSNC2=O)C2CCCC2)C([O-])=C1	REAL300032704419	1	47	-1.0	-60.56	394.51	2.59	-57.97
O=C(NCC(NC(=O)C1=NSNC1=O)C1CCCC1)C1=CC([O-])=CS1	REAL300032704431	0	42	-1.0	-57.27	370.24	0.97	-56.30
O=C(NC(CNC(=O)C1=CN([O-])C(=O)C=C1)C1CCCC1)C1=NSNC1=O	REAL300032704442	0	45	-1.0	-63.60	383.63	3.12	-60.48
CN1[N-]C(C(=O)NC(CNC(=O)C2=NSNC2=O)C2CCCC2)=CC1=O	REAL300032704533	0	45	-1.0	-49.99	383.82	0.24	-49.75
O=C(NCC(NC(=O)C1=NC(=O)[N-]C(=O)N1)C1CCCC1)C1=NSNC1=O	REAL300032704618	0	43	-1.0	-50.67	373.85	-4.11	-54.78
O=C(NCC(NC(=O)C1=NC(=O)NC(=O)[N-]1)C1CCCC1)C1=NSNC1=O	REAL300032704618	1	43	-1.0	-44.25	374.78	-3.78	-48.03
O=C(NCC(NC(=O)C1=CC(=O)[N-]O1)C1CCCC1)C1=NSNC1=O	REAL300032704719	0	41	-1.0	-51.09	355.47	-0.57	-51.66
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=NNC(=O)[N-]C1=O)CC2	REAL300032705526	0	41	-1.0	-65.74	335.74	-1.11	-66.85
O=C(CN1C(=O)[N-]NC1=O)N1CCC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300032705577	0	43	-1.0	-67.93	352.92	0.16	-67.77
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CN([O-])C(=O)C=C1)CC2	REAL300032705957	0	43	-1.0	-60.94	354.94	4.53	-56.41
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC(=O)NC([O-])=C1)CC2	REAL300032706036	0	43	-1.0	-54.54	348.54	-0.61	-55.15
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=COC(=O)[N-]1)CC2	REAL300032706047	1	39	-1.0	-49.60	319.84	0.88	-48.72
CCN1[N-]C(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)=CC1=O	REAL300032706164	0	46	-1.0	-62.47	369.24	3.50	-58.97
O=C(CC1=CC(=O)N[N-]1)N1CCC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300032706171	1	43	-1.0	-68.21	347.91	1.25	-66.96
CN1N=C(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)[N-]C1=O	REAL300032706194	0	42	-1.0	-67.06	341.47	1.21	-65.85
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=C[N-]N=CC1=O)CC2	REAL300032706251	0	41	-1.0	-48.76	333.22	2.33	-46.43
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC(=O)N[N-]1)CC2	REAL300032706316	0	40	-1.0	-58.11	324.12	0.91	-57.20
C[PH](C)([O-])C(=O)C(=O)N1CCC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300032706321	0	45	-1.0	-56.33	358.85	2.09	-54.24
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=CN([O-])C1=O)CC2	REAL300032706345	0	43	-1.0	-61.49	349.78	4.38	-57.11
CC1SC(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)=NC1=O	REAL300032706366	0	42	-1.0	-48.99	350.20	1.92	-47.07
CC1=C([O-])N=C(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)S1	REAL300032706366	1	42	-1.0	-48.99	350.20	1.92	-47.07
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC(=O)N([O-])C=C1)CC2	REAL300032706382	0	43	-1.0	-69.36	353.97	4.52	-64.84
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC=CC(=O)N1[O-])CC2	REAL300032706407	0	43	-1.0	-105.65	347.81	4.97	-100.68
O=C(CC1=NC([O-])=CS1)N1CCC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300032706521	0	42	-1.0	-81.83	353.75	0.53	-81.30
CC1=CC(=O)C(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)=N[N-]1	REAL300032706675	0	44	-1.0	-64.14	352.92	4.78	-59.36
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=NC(=O)N[N-]1)CC2	REAL300032706685	0	39	-1.0	-49.36	319.26	0.14	-49.22
O=C(C1=NSNC1=O)N1CCC2CCC(C1)N2C(=O)C1=NC=CC=C1[O-]	REAL300032707027	1	42	-1.0	-75.46	336.51	4.71	-70.75
O=C(C1=NSNC1=O)N1CCC2CCC(C1)N2C(=O)C1=NNC(=O)[N-]C1=O	REAL300032707125	0	41	-1.0	-62.46	336.13	-1.27	-63.73
O=C(CN1C(=O)[N-]NC1=O)N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032707217	0	43	-1.0	-54.22	350.24	0.92	-53.30
N#CC1=CC([O-])=CC(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)=C1	REAL300032708027	1	44	-1.0	-42.62	357.70	3.78	-38.84
O=C(C1=COC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032708094	1	39	-1.0	-45.82	319.32	1.24	-44.58
O=C(C1=NSNC1=O)N1CCC2CCC(C1)N2C(=O)C1=CC=C([O-])C=C1F	REAL300032708163	1	43	-1.0	-55.14	352.42	3.76	-51.38
O=C(C1=NSNC1=O)N1CCC2CCC(C1)N2C(=O)C1=CC([O-])=CC(=O)O1	REAL300032708167	0	42	-1.0	-51.53	343.96	3.96	-47.57
N#CC1=CC=C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)C=C1[O-]	REAL300032708170	1	44	-1.0	-61.10	362.31	3.96	-57.14
CC1=CC=C([O-])C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)=N1	REAL300032708221	1	45	-1.0	-73.63	357.66	5.32	-68.31
O=C(C1=NSNC1=O)N1CCC2CCC(C1)N2C(=O)C1=C[N-]N=CC1=O	REAL300032708232	0	41	-1.0	-53.87	336.55	2.05	-51.82
O=C(C1=NSNC1=O)N1CCC2CCC(C1)N2C(=O)C1=CC=CC(F)=C1[O-]	REAL300032708239	0	43	-1.0	-63.76	346.83	5.10	-58.66
O=C(C1=NSNC1=O)N1CCC2CCC(C1)N2C(=O)C1=CC=CC([O-])=C1F	REAL300032708303	1	43	-1.0	-61.98	347.11	4.62	-57.36
O=C(C1=CC(=O)N[N-]1)N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032708375	0	40	-1.0	-53.09	324.19	0.79	-52.30
C[PH](C)([O-])C(=O)C(=O)N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032708380	0	45	-1.0	-55.03	358.21	1.75	-53.28
O=C(C1=CC(=O)N([O-])C=C1)N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032708430	0	43	-1.0	-67.88	357.93	4.44	-63.44
O=C(C1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032708447	0	39	-1.0	-57.51	320.25	-0.67	-58.18
O=C(C1=CC=CN([O-])C1=O)N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032708452	0	43	-1.0	-69.10	354.73	4.30	-64.80
O=C(C1=NSNC1=O)N1CCC2CCC(C1)N2C(=O)C1=CC(F)=CC=C1O	REAL300032708558	0	43	-1.0	-57.62	342.25	5.75	-51.87
O=C(C1=NSNC1=O)N1CCC2CCC(C1)N2C(=O)C1=CC(F)=CC=C1[O-]	REAL300032708558	1	43	-1.0	-57.62	342.25	5.75	-51.87
CC1=CC=NC(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)=C1O	REAL300032708600	0	45	-1.0	-74.81	356.83	5.40	-69.41
CC1=CC=NC(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)=C1[O-]	REAL300032708600	1	45	-1.0	-74.81	356.83	5.40	-69.41
O=C(C1=NSNC1=O)N1CCC2CCC(C1)N2C(=O)C1=CN=CC(O)=C1	REAL300032708660	0	42	-1.0	-61.05	333.11	1.53	-59.52
O=C(C1=NSNC1=O)N1CCC2CCC(C1)N2C(=O)C1=CN=CC([O-])=C1	REAL300032708660	1	42	-1.0	-61.05	333.11	1.53	-59.52
O=C(CC1=NC([O-])=CS1)N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032708753	0	42	-1.0	-81.58	354.87	0.25	-81.33
CC1=CC(=O)C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)=N[N-]1	REAL300032708859	0	44	-1.0	-60.24	352.78	4.75	-55.49
O=C(C1=CC=CC(=O)N1[O-])N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032708874	0	43	-1.0	-72.82	350.54	5.05	-67.77
CN1N=C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)[N-]C1=O	REAL300032708920	0	42	-1.0	-60.26	341.76	0.97	-59.29
N#CC1=CC=C([O-])C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)=C1	REAL300032708959	0	44	-1.0	-54.65	356.68	6.10	-48.55
O=C(C1=NSNC1=O)N1CCC2CCC(C1)N2C(=O)C1=CC=C(F)C([O-])=C1	REAL300032709049	1	43	-1.0	-65.68	348.38	3.57	-62.11
O=C(C1=NSNC1=O)N1CCC2CCC(C1)N2C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300032709099	0	41	-1.0	-46.80	337.65	-0.39	-47.19
O=C(C1=NSNC1=O)N1CCC2CCC(C1)N2C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300032709099	1	41	-1.0	-46.80	337.65	-0.39	-47.19
NC1=NC=C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)C(=O)N1	REAL300032709135	0	43	-1.0	-57.57	351.22	1.79	-55.78
NC1=NC=C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)C(=O)[N-]1	REAL300032709135	1	43	-1.0	-57.57	351.22	1.79	-55.78
O=C(C1=CC(=O)[N-]O1)N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032709223	0	39	-1.0	-56.25	319.82	0.69	-55.56
CC1SC(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)=NC1=O	REAL300032709239	0	42	-1.0	-50.27	351.80	1.77	-48.50
CC1=C([O-])N=C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)S1	REAL300032709239	1	42	-1.0	-50.27	351.80	1.77	-48.50
O=C(C1=NSNC1=O)N1CCC2CCC(C1)N2C(=O)C1=CC(=O)NC([O-])=C1	REAL300032709338	0	43	-1.0	-49.66	344.04	-0.94	-50.60
CCN1[N-]C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)=CC1=O	REAL300032709380	0	46	-1.0	-56.61	368.76	3.44	-53.17
CN1[N-]C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)=CC1=O	REAL300032709396	0	43	-1.0	-55.79	346.95	2.51	-53.28
O=C(CC1=CC(=O)NN1)N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032709477	0	43	-1.0	-56.54	345.23	1.99	-54.55
O=C(CC1=CC(=O)N[N-]1)N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032709477	1	43	-1.0	-56.54	345.23	1.99	-54.55
O=C(C1=NSNC1=O)N1CCC2CCC(C1)N2C(=O)C1=CC=C(O)C(F)=C1	REAL300032709481	0	43	-1.0	-61.69	348.34	3.61	-58.08
O=C(C1=NSNC1=O)N1CCC2CCC(C1)N2C(=O)C1=CC=C([O-])C(F)=C1	REAL300032709481	1	43	-1.0	-61.69	348.34	3.61	-58.08
CC1=CN=C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)C(O)=C1	REAL300032709543	0	45	-1.0	-77.20	358.08	5.34	-71.86
CC1=CN=C(C(=O)N2C3CCC2CN(C(=O)C2=NSNC2=O)CC3)C([O-])=C1	REAL300032709543	1	45	-1.0	-77.20	358.08	5.34	-71.86
O=C(C1=CC([O-])=CS1)N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032709556	0	40	-1.0	-67.31	330.24	2.22	-65.09
O=C(C1=CN([O-])C(=O)C=C1)N1C2CCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300032709567	0	43	-1.0	-58.44	350.75	4.18	-54.26
CN1[N-]C(C(=O)N2CCC3CCC(C2)N3C(=O)C2=NSNC2=O)=CC1=O	REAL300032709664	0	43	-1.0	-61.14	347.34	2.58	-58.56
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=NC(=O)[N-]C(=O)N1)CC2	REAL300032709759	0	41	-1.0	-50.94	337.77	-1.51	-52.45
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=NC(=O)NC(=O)[N-]1)CC2	REAL300032709759	1	41	-1.0	-49.93	338.34	-0.74	-50.67
O=C(C1=NSNC1=O)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300032709865	0	39	-1.0	-59.26	319.57	0.99	-58.27
O=C(C1=NSNC1=O)N1CCC2(C1)CCCCN(C(=O)C1=COC(=O)[N-]1)C2	REAL300032710232	1	45	-1.0	-48.68	358.35	1.79	-46.89
O=C(C1=NSNC1=O)N1CCC2(C1)CCCCN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300032710314	0	46	-1.0	-52.16	363.28	1.64	-50.52
O=C(C1=NSNC1=O)N1CCC2(C1)CCCCN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300032710385	0	45	-1.0	-58.11	358.87	1.61	-56.50
O=C(C1=COC(=O)[N-]1)N1CCC2(C1)CCCCN(C(=O)C1=NSNC1=O)C2	REAL300032710738	1	45	-1.0	-58.59	358.85	1.93	-56.66
O=C(C1=CC(=O)N[N-]1)N1CCC2(C1)CCCCN(C(=O)C1=NSNC1=O)C2	REAL300032710792	0	46	-1.0	-52.34	362.24	1.66	-50.68
O=C(C1=NC(=O)N[N-]1)N1CCC2(C1)CCCCN(C(=O)C1=NSNC1=O)C2	REAL300032710805	0	45	-1.0	-55.24	354.01	1.18	-54.06
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CCCCN(C(=O)C1=NSNC1=O)C2	REAL300032710954	0	45	-1.0	-56.75	357.23	1.80	-54.95
O=C(C1=NSNC1=O)N1CCC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300032711116	0	45	-1.0	-55.36	358.22	1.66	-53.70
O=C(C1=NSNC1=O)N1CCC(N2CCN(C(=O)C3=COC(=O)[N-]3)CC2)C1	REAL300032711446	1	44	-1.0	-51.74	366.84	-0.84	-52.58
O=C(C1=NSNC1=O)N1CCC(N2CCN(C(=O)C3=CC(=O)N[N-]3)CC2)C1	REAL300032711528	0	45	-1.0	-56.09	371.70	-0.91	-57.00
O=C(C1=NSNC1=O)N1CCC(N2CCN(C(=O)C3=NC(=O)N[N-]3)CC2)C1	REAL300032711599	0	44	-1.0	-55.30	366.15	-1.50	-56.80
O=C(C1=COC(=O)[N-]1)N1CCC(N2CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300032711952	1	44	-1.0	-53.85	366.89	-1.26	-55.11
O=C(C1=CC(=O)N[N-]1)N1CCC(N2CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300032712006	0	45	-1.0	-55.64	371.76	-1.01	-56.65
O=C(C1=NC(=O)N[N-]1)N1CCC(N2CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300032712019	0	44	-1.0	-52.72	366.82	-1.84	-54.56
O=C(C1=CC(=O)[N-]O1)N1CCC(N2CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300032712168	0	44	-1.0	-59.05	366.82	-0.83	-59.88
O=C(C1=NSNC1=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300032712330	0	44	-1.0	-58.15	366.41	-0.95	-59.10
CC1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCN(C(=O)C2=NSNC2=O)C1	REAL300032712776	1	44	-1.0	-54.48	372.94	1.16	-53.32
CC1(NC(=O)CCCN2C(=O)[N-]NC2=O)CCN(C(=O)C2=NSNC2=O)C1	REAL300032713306	0	45	-1.0	-66.80	384.92	-1.16	-67.96
CC1(NC(=O)CCC2=NNC(=O)[N-]C2=O)CCN(C(=O)C2=NSNC2=O)C1	REAL300032713478	0	43	-1.0	-64.49	372.61	-3.87	-68.36
CC(=O)[N-]C1=NC(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)C2)=CS1	REAL300032713479	1	41	-1.0	-53.42	366.83	-0.39	-53.81
CC1(NC(=O)CCN2C=C[N-]C(=O)C2=O)CCN(C(=O)C2=NSNC2=O)C1	REAL300032713609	1	44	-1.0	-66.54	378.36	0.27	-66.27
COC1=C(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300032713699	1	42	-1.0	-63.34	361.84	-2.81	-66.15
CC1(NC(=O)C2=NNC(=O)[N-]C2=O)CCN(C(=O)C2=NSNC2=O)C1	REAL300032713796	0	37	-1.0	-65.18	328.27	-4.12	-69.30
CC1(NC(=O)CN2C(=O)[N-]NC2=O)CCN(C(=O)C2=NSNC2=O)C1	REAL300032713890	0	39	-1.0	-67.65	342.28	-2.35	-70.00
CC1(NC(=O)C2=CC=CC(=S)N2[O-])CCN(C(=O)C2=NSNC2=O)C1	REAL300032714973	0	39	-1.0	-100.42	347.91	4.05	-96.37
CC1(NC(=O)CC2SC(=O)[N-]C2=O)CCN(C(=O)C2=NSNC2=O)C1	REAL300032714985	0	39	-1.0	-58.69	350.50	-2.81	-61.50
CN1N=C(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300032715001	0	38	-1.0	-68.42	334.75	-1.81	-70.23
CC1(NC(=O)C2=C[N-]N=CC2=O)CCN(C(=O)C2=NSNC2=O)C1	REAL300032715103	0	37	-1.0	-48.80	320.93	0.22	-48.58
CC1(NC(=O)C2=CC=C3N=NN([O-])C3=C2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032715140	0	41	-1.0	-77.24	355.91	0.66	-76.58
CC1(NC(=O)C2=CC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032715221	0	36	-1.0	-58.76	316.59	-1.96	-60.72
CC1(NC(=O)C(=O)[PH](C)(C)[O-])CCN(C(=O)C2=NSNC2=O)C1	REAL300032715225	0	41	-1.0	-59.47	350.84	-0.47	-59.94
CC1(NC(=O)C2=CC=CN([O-])C2=O)CCN(C(=O)C2=NSNC2=O)C1	REAL300032715267	0	39	-1.0	-62.74	336.98	2.29	-60.45
CSC1=NC=C(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032715285	0	41	-1.0	-53.70	363.12	0.09	-53.61
CSC1=NC=C(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032715285	1	41	-1.0	-53.70	363.12	0.09	-53.61
CC1SC(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300032715305	0	38	-1.0	-61.27	343.48	-1.81	-63.08
CC1=C([O-])N=C(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)C2)S1	REAL300032715305	1	38	-1.0	-61.27	343.48	-1.81	-63.08
CC1(NC(=O)C2=CC(=O)C=C(Cl)N2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032715322	0	38	-1.0	-55.51	346.86	1.36	-54.15
CC1(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032715322	1	38	-1.0	-55.51	346.86	1.36	-54.15
CC1(NC(=O)C2=CC(=O)N([O-])C=C2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032715337	0	39	-1.0	-78.87	339.72	2.11	-76.76
CC1(NC(=O)C2=CC=CC(=O)N2[O-])CCN(C(=O)C2=NSNC2=O)C1	REAL300032715389	0	39	-1.0	-95.88	336.79	3.00	-92.88
CC1(NC(=O)CC2=C([O-])N=C(N)S2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032715532	0	40	-1.0	-83.31	357.95	-2.91	-86.22
CC1(NC(=O)CC2=NC([O-])=CS2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032715584	0	38	-1.0	-84.63	343.24	-2.03	-86.66
CCC1=NC=C(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032715603	0	43	-1.0	-53.31	361.87	0.57	-52.74
CCC1=NC=C(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032715603	1	43	-1.0	-53.31	361.87	0.57	-52.74
CC1(NC(=O)C2=C(Cl)C(=O)[N-]S2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032715682	0	35	-1.0	-60.26	334.27	-0.65	-60.91
COCC1=NC=C(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032715766	1	44	-1.0	-54.54	374.80	-1.19	-55.73
CC1=CC(=O)C(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032715855	0	40	-1.0	-62.63	345.46	1.75	-60.88
CC1(NC(=O)C2=NNC(=O)[N-]2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032715871	0	35	-1.0	-62.79	311.20	-3.41	-66.20
CC1(NC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032715887	1	40	-1.0	-57.89	353.90	1.08	-56.81
CC1(NC(=O)C2=CN=C(C=N[O-])S2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032716002	0	38	-1.0	-71.88	352.08	-0.35	-72.23
COC1=NC(C(=O)NC2(C)CCN(C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300032716021	0	41	-1.0	-64.54	357.43	-3.94	-68.48
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300032716276	1	38	-1.0	-73.06	329.26	1.54	-71.52
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1	REAL300032716396	1	44	-1.0	-58.76	382.55	-0.05	-58.81
CC(=O)[N-]C1=NC(C(=O)N2CCC(C)(NC(=O)C3=NSNC3=O)C2)=CS1	REAL300032716408	1	41	-1.0	-50.77	366.68	-0.28	-51.05
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300032716440	0	37	-1.0	-62.93	328.88	-4.22	-67.15
COC1=C(C(=O)N2CCC(C)(NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300032716494	1	42	-1.0	-59.46	362.87	-3.05	-62.51
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300032716663	0	39	-1.0	-52.87	346.62	-2.73	-55.60
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)CCCN2C(=O)[N-]NC2=O)C1	REAL300032717653	0	45	-1.0	-52.95	389.14	-1.49	-54.44
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300032717860	1	44	-1.0	-66.54	382.55	0.49	-66.05
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)CCC2=NNC(=O)[N-]C2=O)C1	REAL300032718713	0	43	-1.0	-52.47	376.80	-4.20	-56.67
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1	REAL300032718723	0	41	-1.0	-61.90	359.19	2.57	-59.33
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300032718737	1	39	-1.0	-69.10	349.24	2.61	-66.49
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300032718768	1	40	-1.0	-51.09	352.60	1.10	-49.99
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C1	REAL300032718795	0	41	-1.0	-75.69	361.07	0.60	-75.09
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1	REAL300032718857	0	41	-1.0	-77.24	360.90	3.37	-73.87
CCC1=NC=C(C(=O)N2CCC(C)(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032718888	1	43	-1.0	-69.23	371.79	-0.19	-69.42
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300032718912	1	35	-1.0	-53.22	311.74	-2.23	-55.45
CC1=CC=NC(C(=O)N2CCC(C)(NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300032719991	1	41	-1.0	-73.67	348.81	2.29	-71.38
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300032720162	1	38	-1.0	-54.11	326.72	-1.06	-55.17
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300032720175	0	39	-1.0	-80.88	358.26	2.06	-78.82
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C1	REAL300032720331	1	41	-1.0	-55.43	361.95	-0.75	-56.18
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300032720336	0	38	-1.0	-51.13	346.79	0.42	-50.71
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300032720398	1	39	-1.0	-58.54	348.81	1.32	-57.22
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1	REAL300032720401	0	42	-1.0	-63.81	362.90	0.60	-63.21
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300032720413	0	38	-1.0	-66.83	345.78	-2.38	-69.21
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300032720435	0	39	-1.0	-67.70	346.93	1.17	-66.53
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300032720438	0	41	-1.0	-53.14	362.69	-1.72	-54.86
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300032720440	0	39	-1.0	-72.23	339.93	2.18	-70.05
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC(C)(NC(=O)C2=NSNC2=O)C1	REAL300032720488	0	42	-1.0	-71.09	366.36	1.70	-69.39
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300032720577	0	39	-1.0	-47.54	353.50	-3.14	-50.68
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300032720610	0	39	-1.0	-62.67	345.27	0.91	-61.76
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1	REAL300032720613	1	40	-1.0	-54.06	363.74	-0.41	-54.47
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300032720619	0	39	-1.0	-71.38	350.92	2.45	-68.93
CC1=CC(=O)C(C(=O)N2CCC(C)(NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032720656	0	40	-1.0	-61.26	345.36	1.69	-59.57
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C1	REAL300032720662	0	44	-1.0	-77.55	378.51	1.34	-76.21
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300032720694	0	39	-1.0	-78.42	347.15	1.43	-76.99
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300032720737	0	39	-1.0	-64.30	356.69	-0.69	-64.99
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C1	REAL300032720738	0	41	-1.0	-60.79	367.76	-6.11	-66.90
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C1	REAL300032720738	1	41	-1.0	-56.39	367.70	-6.05	-62.44
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1	REAL300032720767	0	41	-1.0	-52.82	360.79	2.38	-50.44
CN1N=C(C(=O)N2CCC(C)(NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300032720811	0	38	-1.0	-63.19	335.13	-2.00	-65.19
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C1	REAL300032720846	0	41	-1.0	-53.40	361.71	-1.37	-54.77
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300032720888	0	40	-1.0	-67.03	357.66	-0.79	-67.82
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300032720888	1	40	-1.0	-67.03	357.66	-0.79	-67.82
CC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300032720898	0	40	-1.0	-64.71	353.37	2.51	-62.20
CCN1[N-]C(C(=O)N2CCC(C)(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032725083	0	45	-1.0	-55.61	384.37	1.50	-54.11
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300032725091	1	42	-1.0	-67.98	363.87	-0.69	-68.67
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300032725109	0	42	-1.0	-68.25	372.24	3.22	-65.03
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300032725118	0	42	-1.0	-52.89	377.36	-2.11	-55.00
CN1N=C(C(=O)N2CCC(C)(CNC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300032725134	0	41	-1.0	-58.64	357.28	-0.95	-59.59
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300032725223	0	40	-1.0	-51.10	353.87	0.42	-50.68
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300032725322	0	39	-1.0	-52.17	339.83	-1.14	-53.31
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300032725327	0	44	-1.0	-54.25	374.11	0.25	-54.00
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300032725358	0	42	-1.0	-74.45	370.19	2.55	-71.90
CC1SC(C(=O)N2CCC(C)(CNC(=O)C3=NSNC3=O)C2)=NC1=O	REAL300032725386	0	41	-1.0	-57.54	366.78	-0.48	-58.02
CC1=C([O-])N=C(C(=O)N2CCC(C)(CNC(=O)C3=NSNC3=O)C2)S1	REAL300032725386	1	41	-1.0	-57.54	366.78	-0.48	-58.02
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)C=C(Cl)N2)C1	REAL300032725400	0	41	-1.0	-48.63	369.79	2.38	-46.25
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300032725400	1	41	-1.0	-48.63	369.79	2.38	-46.25
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300032725417	0	42	-1.0	-68.91	363.82	2.30	-66.61
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300032725450	0	42	-1.0	-65.25	361.14	2.51	-62.74
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300032725573	0	43	-1.0	-71.78	385.71	-2.25	-74.03
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300032725618	0	41	-1.0	-79.73	369.72	-1.41	-81.14
CCC1=NC=C(C(=O)N2CCC(C)(CNC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032725636	0	46	-1.0	-58.82	394.94	0.66	-58.16
CCC1=NC=C(C(=O)N2CCC(C)(CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032725636	1	46	-1.0	-58.82	394.94	0.66	-58.16
CC1=CC(=O)C(C(=O)N2CCC(C)(CNC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032725847	0	43	-1.0	-55.21	368.53	2.65	-52.56
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=NNC(=O)[N-]2)C1	REAL300032725862	0	38	-1.0	-55.77	334.52	-2.60	-58.37
CC1(CNC(=O)C2=CC(Cl)=CC=C2[O-])CCN(C(=O)C2=NSNC2=O)C1	REAL300032727844	1	42	-1.0	-62.35	371.42	4.56	-57.79
CC1(CNC(=O)C2=CC([O-])=CC(C#N)=C2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032727869	1	43	-1.0	-55.22	377.71	2.80	-52.42
CCC1=NC=C(C(=O)NCC2(C)CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032727952	1	46	-1.0	-57.31	385.00	1.42	-55.89
CC1(CNC(=O)C2=COC(=O)[N-]2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032727970	1	38	-1.0	-57.99	335.04	-2.09	-60.08
CC1(CNC(=O)C[N-]C(=O)C(F)(F)F)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728037	0	41	-1.0	-54.01	369.99	-1.20	-55.21
CC1(CNC(=O)CC2=C([O-])N=C(N)S2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728038	0	43	-1.0	-70.82	381.20	-2.05	-72.87
CC1(CNC(=O)C2=C(F)C=C([O-])C=C2F)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728047	0	42	-1.0	-54.67	373.13	2.38	-52.29
CC1(CNC(=O)C2=CC=C([O-])C=C2F)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728062	1	42	-1.0	-59.16	361.37	2.51	-56.65
CC1(CNC(=O)C2=CC([O-])=CC(=O)O2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728068	0	41	-1.0	-58.08	360.19	1.67	-56.41
CC1(CNC(=O)C2=CC=C(C#N)C([O-])=C2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728075	1	43	-1.0	-62.14	377.00	2.86	-59.28
CC1(CNC(=O)C2=CC(Cl)=NC=C2[O-])CCN(C(=O)C2=NSNC2=O)C1	REAL300032728078	0	41	-1.0	-59.04	366.85	2.65	-56.39
CC1(CNC(=O)CN2N=CC(=O)[N-]C2=O)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728094	0	43	-1.0	-62.72	375.88	-2.62	-65.34
CC1(CNC(=O)C2=C[N-]N=CC2=O)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728172	0	40	-1.0	-50.63	344.09	1.07	-49.56
CC1(CNC(=O)C2=CC=CC(F)=C2[O-])CCN(C(=O)C2=NSNC2=O)C1	REAL300032728181	0	42	-1.0	-69.76	360.92	4.11	-65.65
CC1(CNC(=O)C2=CC=CC([O-])=C2F)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728267	1	42	-1.0	-68.72	361.24	2.48	-66.24
CC1(CNC(=O)C2=CC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728365	0	39	-1.0	-55.83	339.87	-1.09	-56.92
CC1(CNC(=O)C(=O)[PH](C)(C)[O-])CCN(C(=O)C2=NSNC2=O)C1	REAL300032728371	0	44	-1.0	-57.42	373.79	0.52	-56.90
CC1(CNC(=O)C2=CC(=O)N([O-])C=C2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728458	0	42	-1.0	-72.19	362.88	2.96	-69.23
CC1(CNC(=O)C2=NNC(=O)[N-]2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728482	0	38	-1.0	-58.93	334.36	-2.55	-61.48
CC1(CNC(=O)C2=C(O)C=CC=C2Cl)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728485	0	42	-1.0	-62.93	376.09	2.76	-60.17
CC1(CNC(=O)C2=C([O-])C=CC=C2Cl)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728485	1	42	-1.0	-62.93	376.09	2.76	-60.17
CC1(CNC(=O)C2=CC=CN([O-])C2=O)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728489	0	42	-1.0	-71.57	360.09	3.13	-68.44
CC1(CNC(=O)C2=C(F)C=CC(O)=C2F)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728518	0	42	-1.0	-61.39	372.96	2.35	-59.04
CC1(CNC(=O)C2=C(F)C=CC([O-])=C2F)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728518	1	42	-1.0	-61.39	372.96	2.35	-59.04
CC1(CNC(=O)C2=CC(F)=CC=C2O)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728653	0	42	-1.0	-62.05	361.11	4.10	-57.95
CC1(CNC(=O)C2=CC(F)=CC=C2[O-])CCN(C(=O)C2=NSNC2=O)C1	REAL300032728653	1	42	-1.0	-62.05	361.11	4.10	-57.95
CC1=CC=NC(C(=O)NCC2(C)CCN(C(=O)C3=NSNC3=O)C2)=C1O	REAL300032728716	0	44	-1.0	-65.53	372.24	3.05	-62.48
CC1=CC=NC(C(=O)NCC2(C)CCN(C(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300032728716	1	44	-1.0	-65.53	372.24	3.05	-62.48
CC1(CNC(=O)C2=CN=CC(O)=C2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728820	0	41	-1.0	-60.88	351.88	0.62	-60.26
CC1(CNC(=O)C2=CN=CC([O-])=C2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728820	1	41	-1.0	-60.88	351.88	0.62	-60.26
CC1(CNC(=O)C2=CC=CC(=S)N2[O-])CCN(C(=O)C2=NSNC2=O)C1	REAL300032728830	0	42	-1.0	-85.92	371.06	5.01	-80.91
CC1(CNC(=O)C2=CC=C([O-])C(Cl)=N2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032728937	0	41	-1.0	-54.33	370.23	1.20	-53.13
CN1[N-]C(C(=O)NCC2(C)CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032729972	0	42	-1.0	-58.23	362.68	0.62	-57.61
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032729982	0	42	-1.0	-59.61	376.85	-1.27	-60.88
CC1(CNC(=O)CC2=CC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032730109	1	42	-1.0	-61.99	360.54	-0.48	-62.47
CC1(CNC(=O)C2=CC=C([O-])C(F)=C2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032730114	1	42	-1.0	-60.61	363.04	2.51	-58.10
CC1(CNC(=O)C2=CC(F)=C([O-])C(F)=C2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032730160	0	42	-1.0	-61.07	369.23	2.59	-58.48
CC1(CNC(=O)C2=CC=NC(Cl)=C2[O-])CCN(C(=O)C2=NSNC2=O)C1	REAL300032730165	0	41	-1.0	-62.59	366.16	2.68	-59.91
CC1=C(CC(=O)NCC2(C)CCN(C(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300032730180	0	48	-1.0	-73.79	402.43	2.10	-71.69
CC1=CN=C(C(=O)NCC2(C)CCN(C(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300032730216	1	44	-1.0	-67.07	373.37	2.98	-64.09
CC1(CNC(=O)C2=CC([O-])=CS2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032730237	0	39	-1.0	-64.45	349.10	1.35	-63.10
CC1(CNC(=O)C2=CN([O-])C(=O)C=C2)CCN(C(=O)C2=NSNC2=O)C1	REAL300032730253	0	42	-1.0	-71.34	362.51	2.97	-68.37
CN1[N-]C(C(=O)N2CCC(C)(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032730405	0	42	-1.0	-54.77	362.56	0.57	-54.20
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300032730412	0	42	-1.0	-56.17	380.26	-1.49	-57.66
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300032730561	0	40	-1.0	-54.00	352.87	-3.60	-57.60
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300032730561	1	40	-1.0	-48.63	354.95	-2.95	-51.58
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300032730700	0	44	-1.0	-60.91	384.90	-0.72	-61.63
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300032730707	0	38	-1.0	-56.35	334.82	-1.01	-57.36
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300032730718	0	42	-1.0	-55.03	375.43	-0.10	-55.13
CC1(CNC(=O)C2=NNC(=O)[N-]C2=O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032731485	0	43	-1.0	-56.56	358.68	-2.61	-59.17
CC1(CNC(=O)CN2C(=O)[N-]NC2=O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032731534	0	45	-1.0	-58.45	372.80	-0.96	-59.41
CC1(CNC(=O)C2=CN([O-])C(=O)C=C2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032731880	0	45	-1.0	-70.77	369.76	3.51	-67.26
CC1(CNC(=O)C2=CC(=O)NC([O-])=C2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032731955	0	45	-1.0	-49.93	370.22	-1.38	-51.31
CC1(CNC(=O)C2=COC(=O)[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032731966	1	41	-1.0	-48.91	342.29	-1.55	-50.46
CCN1[N-]C(C(=O)NCC2(C)CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032732071	0	48	-1.0	-54.03	391.67	2.09	-51.94
CC1(CNC(=O)CC2=CC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032732078	1	45	-1.0	-62.43	367.79	0.08	-62.35
CN1N=C(C(=O)NCC2(C)CCN(C(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300032732097	0	44	-1.0	-57.17	364.37	-0.35	-57.52
CC1(CNC(=O)C2=C[N-]N=CC2=O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032732149	0	43	-1.0	-46.64	351.35	1.60	-45.04
CC1(CNC(=O)C2=CC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032732207	0	42	-1.0	-50.55	347.12	-0.55	-51.10
CC1(CNC(=O)C(=O)[PH](C)(C)[O-])CCN(C(=O)C2=NSNC2=O)CC1	REAL300032732212	0	47	-1.0	-53.53	381.54	0.99	-52.54
CC1(CNC(=O)C2=CC=CN([O-])C2=O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032732232	0	45	-1.0	-57.79	367.66	3.71	-54.08
CC1SC(C(=O)NCC2(C)CCN(C(=O)C3=NSNC3=O)CC2)=NC1=O	REAL300032732251	0	44	-1.0	-54.39	373.67	-0.43	-54.82
CC1=C([O-])N=C(C(=O)NCC2(C)CCN(C(=O)C3=NSNC3=O)CC2)S1	REAL300032732251	1	44	-1.0	-54.39	373.67	-0.43	-54.82
CC1(CNC(=O)C2=CC(=O)N([O-])C=C2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032732266	0	45	-1.0	-70.83	370.13	3.51	-67.32
CC1(CNC(=O)C2=CC=CC(=O)N2[O-])CCN(C(=O)C2=NSNC2=O)CC1	REAL300032732288	0	45	-1.0	-87.05	367.50	4.56	-82.49
CC1(CNC(=O)CC2=NC([O-])=CS2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032732390	0	44	-1.0	-74.04	373.64	-0.64	-74.68
CC1=CC(=O)C(C(=O)NCC2(C)CCN(C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300032732529	0	46	-1.0	-53.66	375.84	3.25	-50.41
CC1(CNC(=O)C2=NNC(=O)[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032732539	0	41	-1.0	-54.21	341.61	-2.02	-56.23
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC=CC=C2O)CC1	REAL300032732874	0	44	-1.0	-67.42	359.24	3.16	-64.26
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300032732874	1	44	-1.0	-67.42	359.24	3.16	-64.26
CC1=CC=C([O-])C(C(=O)N2CCC(C)(CNC(=O)C3=NSNC3=O)CC2)=N1	REAL300032733958	1	47	-1.0	-68.25	383.43	3.20	-65.05
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)CCC2=NC(=O)[N-]N2)CC1	REAL300032733959	1	47	-1.0	-62.57	386.08	-1.06	-63.63
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300032733968	0	43	-1.0	-46.78	354.97	0.98	-45.80
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1	REAL300032733975	0	45	-1.0	-73.83	373.39	2.82	-71.01
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CC([O-])=C2F)CC1	REAL300032734030	1	45	-1.0	-70.53	373.66	2.53	-68.00
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300032734095	0	42	-1.0	-53.32	347.10	-0.45	-53.77
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C(=O)[PH](C)(C)[O-])CC1	REAL300032734100	0	47	-1.0	-52.79	381.71	0.51	-52.28
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1	REAL300032734146	0	45	-1.0	-65.71	377.38	3.15	-62.56
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300032734161	0	41	-1.0	-52.90	341.66	-1.10	-54.00
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CN([O-])C2=O)CC1	REAL300032734165	0	45	-1.0	-63.73	371.64	3.00	-60.73
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(F)=CC=C2O)CC1	REAL300032734262	0	45	-1.0	-63.76	373.56	2.82	-60.94
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300032734262	1	45	-1.0	-63.76	373.56	2.82	-60.94
CC1=CC=NC(C(=O)N2CCC(C)(CNC(=O)C3=NSNC3=O)CC2)=C1O	REAL300032734303	0	47	-1.0	-66.94	379.56	3.83	-63.11
CC1=CC=NC(C(=O)N2CCC(C)(CNC(=O)C3=NSNC3=O)CC2)=C1[O-]	REAL300032734303	1	47	-1.0	-66.94	379.56	3.83	-63.11
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CN=CC(O)=C2)CC1	REAL300032734358	0	44	-1.0	-52.69	362.52	0.69	-52.00
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300032734358	1	44	-1.0	-52.69	362.52	0.69	-52.00
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)CC2=NC([O-])=CS2)CC1	REAL300032734437	0	44	-1.0	-75.67	376.68	-0.80	-76.47
CC1=CC(=O)C(C(=O)N2CCC(C)(CNC(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300032734533	0	46	-1.0	-56.89	376.00	3.21	-53.68
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1	REAL300032734548	0	45	-1.0	-81.27	376.96	2.93	-78.34
CN1N=C(C(=O)N2CCC(C)(CNC(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300032734590	0	44	-1.0	-60.50	364.56	-0.30	-60.80
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C(F)C(O)=C2)CC1	REAL300032734705	0	45	-1.0	-55.86	373.87	2.54	-53.32
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1	REAL300032734705	1	45	-1.0	-55.86	373.87	2.54	-53.32
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1	REAL300032734752	0	43	-1.0	-56.78	364.75	-4.18	-60.96
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1	REAL300032734752	1	43	-1.0	-48.30	360.98	-2.15	-50.45
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CN=C(N)[N-]C2=O)CC1	REAL300032734787	1	45	-1.0	-52.87	369.50	-0.38	-53.25
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=NC=C2[O-])CC1	REAL300032734863	0	44	-1.0	-67.23	363.36	0.91	-66.32
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300032734868	0	41	-1.0	-58.81	342.02	-0.41	-59.22
CC1=C([O-])N=C(C(=O)N2CCC(C)(CNC(=O)C3=NSNC3=O)CC2)S1	REAL300032734883	1	44	-1.0	-58.50	373.88	0.31	-58.19
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1	REAL300032734975	0	45	-1.0	-52.15	377.35	-1.77	-53.92
CCN1[N-]C(C(=O)N2CCC(C)(CNC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032735013	0	48	-1.0	-56.99	391.64	2.18	-54.81
CN1[N-]C(C(=O)N2CCC(C)(CNC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032735029	0	45	-1.0	-56.22	369.91	1.25	-54.97
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)CC2=CC(=O)N[N-]2)CC1	REAL300032735107	1	45	-1.0	-63.90	370.83	-0.08	-63.98
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300032735111	1	45	-1.0	-57.55	373.84	2.56	-54.99
CC1=CN=C(C(=O)N2CCC(C)(CNC(=O)C3=NSNC3=O)CC2)C([O-])=C1	REAL300032735167	1	47	-1.0	-68.78	380.69	3.80	-64.98
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC([O-])=CS2)CC1	REAL300032735179	0	42	-1.0	-65.43	356.52	1.35	-64.08
CC1(CNC(=O)C2=NSNC2=O)CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1	REAL300032735190	0	45	-1.0	-67.03	376.85	3.13	-63.90
CN1[N-]C(C(=O)NCC2(C)CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032735281	0	45	-1.0	-53.23	369.94	1.16	-52.07
CC1(CNC(=O)C2=NC(=O)[N-]C(=O)N2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032735366	0	43	-1.0	-46.47	360.89	-2.84	-49.31
CC1(CNC(=O)C2=NC(=O)NC(=O)[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032735366	1	43	-1.0	-46.47	360.89	-2.84	-49.31
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032735467	0	41	-1.0	-54.73	341.87	-0.07	-54.80
CC1(CNC(=O)C2=NNC(=O)[N-]C2=O)CCCN(C(=O)C2=NSNC2=O)C1	REAL300032736216	0	43	-1.0	-59.85	360.97	-2.17	-62.02
CC1(CNC(=O)CN2C(=O)[N-]NC2=O)CCCN(C(=O)C2=NSNC2=O)C1	REAL300032736265	0	45	-1.0	-60.16	375.08	-0.52	-60.68
CC1(CNC(=O)C2=CN([O-])C(=O)C=C2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300032736611	0	45	-1.0	-70.18	372.04	3.95	-66.23
CC1(CNC(=O)C2=CC(=O)NC([O-])=C2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300032736686	0	45	-1.0	-57.17	372.78	-0.92	-58.09
CC1(CNC(=O)C2=COC(=O)[N-]2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300032736697	1	41	-1.0	-61.53	344.85	-1.07	-62.60
CCN1[N-]C(C(=O)NCC2(C)CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032736802	0	48	-1.0	-60.76	394.23	2.56	-58.20
CC1(CNC(=O)CC2=CC(=O)N[N-]2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300032736809	1	45	-1.0	-61.80	370.35	0.55	-61.25
CN1N=C(C(=O)NCC2(C)CCCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300032736828	0	44	-1.0	-63.12	367.00	0.12	-63.00
CC1(CNC(=O)C2=C[N-]N=CC2=O)CCCN(C(=O)C2=NSNC2=O)C1	REAL300032736880	0	43	-1.0	-54.89	353.91	2.08	-52.81
CC1(CNC(=O)C2=CC(=O)N[N-]2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300032736938	0	42	-1.0	-57.93	349.40	-0.12	-58.05
CC1(CNC(=O)C(=O)[PH](C)(C)[O-])CCCN(C(=O)C2=NSNC2=O)C1	REAL300032736943	0	47	-1.0	-57.00	383.83	1.42	-55.58
CC1(CNC(=O)C2=CC=CN([O-])C2=O)CCCN(C(=O)C2=NSNC2=O)C1	REAL300032736963	0	45	-1.0	-78.16	369.93	4.15	-74.01
CC1=C([O-])N=C(C(=O)NCC2(C)CCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300032736982	1	44	-1.0	-68.76	375.95	0.02	-68.74
CC1(CNC(=O)C2=CC(=O)N([O-])C=C2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300032736997	0	45	-1.0	-70.87	372.69	3.98	-66.89
CC1(CNC(=O)C2=CC=CC(=O)N2[O-])CCCN(C(=O)C2=NSNC2=O)C1	REAL300032737019	0	45	-1.0	-81.92	369.48	4.96	-76.96
CC1(CNC(=O)CC2=NC([O-])=CS2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300032737121	0	44	-1.0	-71.92	376.19	-0.17	-72.09
CC1=CC(=O)C(C(=O)NCC2(C)CCCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032737260	0	46	-1.0	-61.36	378.12	3.70	-57.66
CC1(CNC(=O)C2=NNC(=O)[N-]2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300032737270	0	41	-1.0	-60.68	343.90	-1.57	-62.25
CC1(CNC(=O)C2=NSNC2=O)CCCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300032737605	1	44	-1.0	-62.23	361.55	3.62	-58.61
CC1(CNC(=O)C2=NSNC2=O)CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300032737694	0	43	-1.0	-54.81	361.13	-2.23	-57.04
CC1(CNC(=O)C2=NSNC2=O)CCCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300032737781	0	45	-1.0	-55.58	378.16	-0.75	-56.33
CC1(CNC(=O)C2=NSNC2=O)CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300032738577	1	41	-1.0	-48.71	344.56	0.03	-48.68
CC1(CNC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300032738639	1	45	-1.0	-53.73	377.14	3.01	-50.72
CC1(CNC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300032738642	0	44	-1.0	-51.34	371.76	2.36	-48.98
CC1=CC=C([O-])C(C(=O)N2CCCC(C)(CNC(=O)C3=NSNC3=O)C2)=N1	REAL300032738689	1	47	-1.0	-61.43	383.17	4.17	-57.26
CC1(CNC(=O)C2=NSNC2=O)CCCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300032738699	0	43	-1.0	-49.26	362.97	1.46	-47.80
CC1(CNC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300032738706	0	45	-1.0	-65.17	375.63	3.32	-61.85
CC1(CNC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300032738761	1	45	-1.0	-63.62	375.90	2.97	-60.65
CC1(CNC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300032738826	0	42	-1.0	-49.49	349.42	-0.03	-49.52
CC1(CNC(=O)C2=NSNC2=O)CCCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300032738831	0	47	-1.0	-47.52	384.00	0.94	-46.58
CC1(CNC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300032738877	0	45	-1.0	-67.15	374.16	3.39	-63.76
CC1(CNC(=O)C2=NSNC2=O)CCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300032738892	0	41	-1.0	-48.04	343.91	-0.67	-48.71
CC1(CNC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300032738896	0	45	-1.0	-73.10	378.67	3.59	-69.51
O=C(CN1C(=O)[N-]NC1=O)NCC1(NC(=O)C2=NSNC2=O)CCOCC1	REAL300032740975	0	43	-1.0	-62.19	369.73	-4.05	-66.24
O=C(NC1(CNC(=O)C2=CN([O-])C(=O)C=C2)CCOCC1)C1=NSNC1=O	REAL300032741312	0	43	-1.0	-71.89	366.68	0.39	-71.50
O=C(NC1(CNC(=O)C2=CC(=O)NC([O-])=C2)CCOCC1)C1=NSNC1=O	REAL300032741384	0	43	-1.0	-51.09	367.14	-4.51	-55.60
O=C(NCC1(NC(=O)C2=NSNC2=O)CCOCC1)C1=COC(=O)[N-]1	REAL300032741394	1	39	-1.0	-50.42	339.17	-4.68	-55.10
CCN1[N-]C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCOCC2)=CC1=O	REAL300032741498	0	46	-1.0	-57.77	388.54	-1.05	-58.82
O=C(CC1=CC(=O)N[N-]1)NCC1(NC(=O)C2=NSNC2=O)CCOCC1	REAL300032741505	1	43	-1.0	-65.88	364.72	-3.02	-68.90
CN1N=C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCOCC2)[N-]C1=O	REAL300032741523	0	42	-1.0	-59.93	361.28	-3.46	-63.39
O=C(NC1(CNC(=O)C2=C[N-]N=CC2=O)CCOCC1)C1=NSNC1=O	REAL300032741573	0	41	-1.0	-45.58	348.44	-1.48	-47.06
O=C(NCC1(NC(=O)C2=NSNC2=O)CCOCC1)C1=CC(=O)N[N-]1	REAL300032741628	0	40	-1.0	-53.30	344.04	-3.67	-56.97
C[PH](C)([O-])C(=O)C(=O)NCC1(NC(=O)C2=NSNC2=O)CCOCC1	REAL300032741633	0	45	-1.0	-54.03	376.93	-2.39	-56.42
O=C(CCC1=NC(=O)NN1)NCC1(NC(=O)C2=NSNC2=O)CCOCC1	REAL300032741651	0	45	-1.0	-62.41	379.98	-4.00	-66.41
O=C(CCC1=NC(=O)[N-]N1)NCC1(NC(=O)C2=NSNC2=O)CCOCC1	REAL300032741651	1	45	-1.0	-62.41	379.98	-4.00	-66.41
O=C(NC1(CNC(=O)C2=CC=CN([O-])C2=O)CCOCC1)C1=NSNC1=O	REAL300032741653	0	43	-1.0	-58.55	364.36	0.60	-57.95
CC1SC(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCOCC2)=NC1=O	REAL300032741670	0	42	-1.0	-54.78	370.54	-3.57	-58.35
CC1=C([O-])N=C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCOCC2)S1	REAL300032741670	1	42	-1.0	-54.78	370.54	-3.57	-58.35
O=C(NC1(CNC(=O)C2=CC(=O)N([O-])C=C2)CCOCC1)C1=NSNC1=O	REAL300032741684	0	43	-1.0	-71.89	367.01	0.38	-71.51
O=C(NC1(CNC(=O)C2=CC=CC(=O)N2[O-])CCOCC1)C1=NSNC1=O	REAL300032741704	0	43	-1.0	-90.04	364.40	1.49	-88.55
O=C(CC1=NC([O-])=CS1)NCC1(NC(=O)C2=NSNC2=O)CCOCC1	REAL300032741803	0	42	-1.0	-75.46	370.51	-3.78	-79.24
CC1=CC(=O)C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCOCC2)=N[N-]1	REAL300032741939	0	44	-1.0	-59.17	372.72	0.11	-59.06
O=C(NCC1(NC(=O)C2=NSNC2=O)CCOCC1)C1=NNC(=O)[N-]1	REAL300032741948	0	39	-1.0	-56.73	338.53	-5.13	-61.86
O=C(NCC1(NC(=O)C2=NC=CC=C2[O-])CCOCC1)C1=NSNC1=O	REAL300032742277	1	42	-1.0	-68.38	356.05	-0.26	-68.64
O=C(NCC1(NC(=O)C2=NNC(=O)[N-]C2=O)CCOCC1)C1=NSNC1=O	REAL300032742363	0	41	-1.0	-60.93	355.56	-5.75	-66.68
O=C(CN1C(=O)[N-]NC1=O)NC1(CNC(=O)C2=NSNC2=O)CCOCC1	REAL300032742436	0	43	-1.0	-62.46	369.73	-3.93	-66.39
O=C(NCC1(NC(=O)C2=COC(=O)[N-]2)CCOCC1)C1=NSNC1=O	REAL300032743061	1	39	-1.0	-50.43	339.21	-4.53	-54.96
O=C(NCC1(NC(=O)C2=CC=C([O-])C=C2F)CCOCC1)C1=NSNC1=O	REAL300032743119	1	43	-1.0	-59.99	365.52	0.07	-59.92
O=C(NCC1(NC(=O)C2=CC([O-])=CC(=O)O2)CCOCC1)C1=NSNC1=O	REAL300032743122	0	42	-1.0	-53.89	364.33	-0.80	-54.69
O=C(NCC1(NC(=O)C2=C[N-]N=CC2=O)CCOCC1)C1=NSNC1=O	REAL300032743170	0	41	-1.0	-44.05	348.24	-1.40	-45.45
O=C(NCC1(NC(=O)C2=CC=CC(F)=C2[O-])CCOCC1)C1=NSNC1=O	REAL300032743175	0	43	-1.0	-76.41	365.06	1.49	-74.92
O=C(NCC1(NC(=O)C2=CC=CC([O-])=C2F)CCOCC1)C1=NSNC1=O	REAL300032743219	1	43	-1.0	-74.16	365.38	0.04	-74.12
O=C(NCC1(NC(=O)C2=CC(=O)N[N-]2)CCOCC1)C1=NSNC1=O	REAL300032743270	0	40	-1.0	-53.20	344.05	-3.53	-56.73
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CC1=CC=NC(C(=O)N2CC(O)(CNC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300032761408	1	39	-1.0	-69.63	349.93	-1.47	-71.10
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CSC1=NC=C(C(=O)N2CC(O)(CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032763129	1	39	-1.0	-63.76	373.58	-4.16	-67.92
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CCN1[N-]C(C(=O)N2CC(O)(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032763211	0	40	-1.0	-59.58	362.50	-3.10	-62.68
CN1[N-]C(C(=O)N2CC(O)(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032763233	0	37	-1.0	-58.47	341.38	-4.03	-62.50
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CC1=C(CC(=O)N2CC(O)(CNC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300032763512	0	43	-1.0	-67.03	384.40	-2.75	-69.78
CC1=CN=C(C(=O)N2CC(O)(CNC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300032763558	1	39	-1.0	-71.40	351.66	-1.59	-72.99
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CN1[N-]C(C(=O)NCC2(O)CN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032763837	0	37	-1.0	-54.82	341.25	-3.99	-58.81
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CCN1[N-]C(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300032765789	0	46	-1.0	-66.46	384.14	2.27	-64.19
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CN1N=C(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300032765819	0	42	-1.0	-69.82	357.05	-0.19	-70.01
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CC1=C([O-])N=C(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)S1	REAL300032765991	1	42	-1.0	-64.35	366.36	-0.26	-64.61
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CC1=CC(=O)C(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300032766300	0	44	-1.0	-67.88	368.35	3.41	-64.47
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O=C(CN1C(=O)[N-]NC1=O)N1CC2CC1CC(NC(=O)C1=NSNC1=O)C2	REAL300032766842	0	43	-1.0	-49.17	339.45	0.82	-48.35
N#CC1=CC([O-])=CC(C(=O)N2CC3CC2CC(NC(=O)C2=NSNC2=O)C3)=C1	REAL300032767652	1	44	-1.0	-74.77	374.81	2.83	-71.94
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O=C(NC1CC2CC(C1)N(C(=O)C1=CC=C([O-])C=C1F)C2)C1=NSNC1=O	REAL300032767788	1	43	-1.0	-70.35	363.78	2.67	-67.68
O=C(NC1CC2CC(C1)N(C(=O)C1=CC([O-])=CC(=O)O1)C2)C1=NSNC1=O	REAL300032767792	0	42	-1.0	-68.66	359.73	2.04	-66.62
N#CC1=CC=C(C(=O)N2CC3CC2CC(NC(=O)C2=NSNC2=O)C3)C=C1[O-]	REAL300032767795	1	44	-1.0	-79.16	374.08	2.91	-76.25
CC1=CC=C([O-])C(C(=O)N2CC3CC2CC(NC(=O)C2=NSNC2=O)C3)=N1	REAL300032767846	1	45	-1.0	-89.80	373.02	3.88	-85.92
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C[PH](C)([O-])C(=O)C(=O)N1CC2CC1CC(NC(=O)C1=NSNC1=O)C2	REAL300032768005	0	45	-1.0	-69.09	372.84	0.70	-68.39
CN1[N-]C(CC(=O)N2CC3CC2CC(NC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300032768009	0	46	-1.0	-51.41	358.71	3.29	-48.12
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NC1=CC(=O)[N-]C(C(=O)N2CC3CC2CC(NC(=O)C2=NSNC2=O)C3)=N1	REAL300032768155	0	43	-1.0	-82.60	363.72	-0.77	-83.37
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CC1=CC=NC(C(=O)N2CC3CC2CC(NC(=O)C2=NSNC2=O)C3)=C1[O-]	REAL300032768225	1	45	-1.0	-88.22	371.72	3.96	-84.26
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CC1=CC(=O)C(C(=O)N2CC3CC2CC(NC(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300032768484	0	44	-1.0	-78.12	368.18	3.38	-74.74
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CN1N=C(C(=O)N2CC3CC2CC(NC(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300032768545	0	42	-1.0	-79.71	357.37	-0.25	-79.96
N#CC1=CC=C(C(=O)N2CC3CC2CC(NC(=O)C2=NSNC2=O)C3)C([O-])=C1	REAL300032768578	0	44	-1.0	-76.81	377.97	3.94	-72.87
N#CC1=CC=C([O-])C(C(=O)N2CC3CC2CC(NC(=O)C2=NSNC2=O)C3)=C1	REAL300032768584	0	44	-1.0	-73.68	377.24	4.05	-69.63
O=C(NC1CC2CC(C1)N(C(=O)C1=CC=C(F)C([O-])=C1)C2)C1=NSNC1=O	REAL300032768674	1	43	-1.0	-74.01	364.06	2.65	-71.36
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NC1=NC=C(C(=O)N2CC3CC2CC(NC(=O)C2=NSNC2=O)C3)C(=O)N1	REAL300032768760	0	43	-1.0	-88.38	367.56	-0.09	-88.47
NC1=NC=C(C(=O)N2CC3CC2CC(NC(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300032768760	1	43	-1.0	-88.38	367.56	-0.09	-88.47
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CC1SC(C(=O)N2CC3CC2CC(NC(=O)C2=NSNC2=O)C3)=NC1=O	REAL300032768864	0	42	-1.0	-73.88	366.64	0.14	-73.74
CC1=C([O-])N=C(C(=O)N2CC3CC2CC(NC(=O)C2=NSNC2=O)C3)S1	REAL300032768864	1	42	-1.0	-73.88	366.64	0.14	-73.74
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CCN1[N-]C(C(=O)N2CC3CC2CC(NC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300032769005	0	46	-1.0	-76.28	384.26	2.21	-74.07
CN1[N-]C(C(=O)N2CC3CC2CC(NC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300032769021	0	43	-1.0	-75.00	362.77	1.25	-73.75
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CC1=CN=C(C(=O)N2CC3CC2CC(NC(=O)C2=NSNC2=O)C3)C([O-])=C1	REAL300032769168	1	45	-1.0	-90.43	372.85	3.92	-86.51
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CN1[N-]C(C(=O)NC2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300032769289	0	43	-1.0	-65.35	362.64	1.30	-64.05
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O=C(NC1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2)C1=CC(=O)[N-]O1	REAL300032769490	0	39	-1.0	-65.69	334.33	0.11	-65.58
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300032772256	0	42	-1.0	-67.50	374.33	2.72	-64.78
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300032772370	0	42	-1.0	-52.30	374.13	-2.28	-54.58
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300032772381	1	38	-1.0	-52.95	339.26	-1.28	-54.23
CCN1[N-]C(C(=O)N2CCC(C(C)NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032772551	0	45	-1.0	-57.64	388.59	1.57	-56.07
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300032772559	1	42	-1.0	-62.87	367.97	-0.58	-63.45
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300032772577	0	42	-1.0	-77.18	384.23	3.06	-74.12
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300032772586	0	42	-1.0	-52.12	381.55	-2.06	-54.18
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300032772602	0	41	-1.0	-60.68	361.48	-0.89	-61.57
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300032772691	0	40	-1.0	-52.11	357.16	0.49	-51.62
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300032772790	0	39	-1.0	-54.14	343.53	-1.16	-55.30
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300032772795	0	44	-1.0	-53.57	378.26	0.24	-53.33
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)CCC2=NC(=O)NN2)C1	REAL300032772822	0	44	-1.0	-63.14	383.32	-1.51	-64.65
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300032772822	1	44	-1.0	-63.14	383.32	-1.51	-64.65
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300032772826	0	42	-1.0	-81.21	373.79	2.75	-78.46
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)C(C)S2)C1	REAL300032772854	0	41	-1.0	-58.59	370.53	-0.55	-59.14
CC1=C([O-])N=C(C(=O)N2CCC(C(C)NC(=O)C3=NSNC3=O)C2)S1	REAL300032772854	1	41	-1.0	-58.59	370.53	-0.55	-59.14
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)C=C(Cl)N2)C1	REAL300032772868	0	41	-1.0	-50.87	373.16	2.38	-48.49
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300032772868	1	41	-1.0	-50.87	373.16	2.38	-48.49
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300032772885	0	42	-1.0	-65.98	373.61	2.65	-63.33
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300032772918	0	42	-1.0	-74.39	373.12	2.43	-71.96
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300032773040	0	41	-1.0	-53.17	377.25	-1.35	-54.52
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300032773041	0	43	-1.0	-73.94	388.05	-2.27	-76.21
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300032773086	0	41	-1.0	-71.88	373.90	-1.25	-73.13
CCC1=NC=C(C(=O)N2CCC(C(C)NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032773104	1	46	-1.0	-59.87	398.09	0.81	-59.06
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300032773113	0	43	-1.0	-65.65	382.77	-2.86	-68.51
CC1=CC(=O)C(C(=O)N2CCC(C(C)NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032773315	0	43	-1.0	-57.44	372.33	2.73	-54.71
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NNC(=O)[N-]2)C1	REAL300032773330	0	38	-1.0	-57.74	338.28	-2.63	-60.37
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300032773441	0	41	-1.0	-67.86	376.83	0.01	-67.85
COC1=NC(C(=O)N2CCC(C(C)NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300032773454	0	44	-1.0	-59.28	382.82	-2.55	-61.83
CC(NC(=O)C1=NC=CC=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032773710	1	41	-1.0	-70.63	355.53	2.35	-68.28
CC(NC(=O)C1=NNC(=O)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032773833	0	40	-1.0	-58.06	355.57	-3.08	-61.14
CC(NC(=O)CN1C(=O)[N-]NC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032773993	0	42	-1.0	-65.06	369.10	-1.49	-66.55
CC(NC(=O)C1=CC(Cl)=CC=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775312	1	42	-1.0	-62.88	375.52	4.66	-58.22
CC(NC(=O)C1=CC([O-])=CC(C#N)=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775337	1	43	-1.0	-57.17	381.32	2.82	-54.35
CCC1=NC=C(C(=O)NC(C)C2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032775420	1	46	-1.0	-59.03	388.50	1.45	-57.58
CC(NC(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775438	1	38	-1.0	-50.63	339.18	-1.99	-52.62
CC(NC(=O)C[N-]C(=O)C(F)(F)F)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775505	0	41	-1.0	-58.06	373.87	-1.13	-59.19
CC(NC(=O)CC1=C([O-])N=C(N)S1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775506	0	43	-1.0	-72.61	385.19	-2.02	-74.63
CC(NC(=O)C1=C(F)C=C([O-])C=C1F)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775515	0	42	-1.0	-58.16	376.68	2.38	-55.78
CC(NC(=O)C1=CC=C([O-])C=C1F)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775530	1	42	-1.0	-63.28	364.93	2.54	-60.74
CC(NC(=O)C1=CC([O-])=CC(=O)O1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775536	0	41	-1.0	-60.40	363.74	1.68	-58.72
CC(NC(=O)C1=CC=C(C#N)C([O-])=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775543	1	43	-1.0	-63.41	380.99	2.90	-60.51
CC(NC(=O)C1=CC(Cl)=NC=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775546	0	41	-1.0	-64.14	370.40	2.67	-61.47
CC(NC(=O)CN1N=CC(=O)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775562	0	43	-1.0	-66.26	379.44	-2.61	-68.87
CC(NC(=O)C1=C[N-]N=CC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775640	0	40	-1.0	-43.29	348.20	1.13	-42.16
CC(NC(=O)C1=CC=CC(F)=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775649	0	42	-1.0	-75.70	364.47	4.12	-71.58
CC(NC(=O)C1=CC=CC([O-])=C1F)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775735	1	42	-1.0	-73.95	364.79	2.51	-71.44
CC(NC(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775833	0	39	-1.0	-52.09	344.01	-1.01	-53.10
CC(NC(=O)C(=O)[PH](C)(C)[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775839	0	44	-1.0	-59.08	377.92	0.48	-58.60
CC(NC(=O)C1=CC(=O)N([O-])C=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775926	0	42	-1.0	-76.34	366.49	2.99	-73.35
CC(NC(=O)C1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775950	0	38	-1.0	-62.80	338.23	-2.49	-65.29
CC(NC(=O)C1=C(O)C=CC=C1Cl)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775953	0	42	-1.0	-69.88	379.69	2.77	-67.11
CC(NC(=O)C1=C([O-])C=CC=C1Cl)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775953	1	42	-1.0	-69.88	379.69	2.77	-67.11
CC(NC(=O)C1=CC=CN([O-])C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775957	0	42	-1.0	-71.78	363.59	3.16	-68.62
CC(NC(=O)C1=C(F)C=CC([O-])=C1F)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032775986	1	42	-1.0	-57.60	377.07	2.42	-55.18
CC(NC(=O)C1=NC(N)=CC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776069	0	42	-1.0	-61.66	368.14	-1.58	-63.24
CC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776116	0	42	-1.0	-61.12	376.45	3.02	-58.10
CC(NC(=O)C1=CC(F)=CC=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776121	1	42	-1.0	-62.24	365.20	4.20	-58.04
CC1=CC=NC(C(=O)NC(C)C2CCN(C(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300032776184	1	44	-1.0	-64.28	376.38	3.12	-61.16
CC(NC(=O)C1=CN=CC([O-])=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776288	1	41	-1.0	-65.28	355.43	0.62	-64.66
CC(NC(=O)C1=CC=CC(=S)N1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776298	0	42	-1.0	-92.27	374.61	5.03	-87.24
CC(NC(=O)C1=CC=C([O-])C(Cl)=N1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776405	0	41	-1.0	-48.65	374.37	1.28	-47.37
CC(NC(=O)C1=CC=C([O-])C=C1Cl)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776443	1	42	-1.0	-61.86	372.90	2.99	-58.87
CC(NC(=O)CC1=NC([O-])=CS1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776454	0	41	-1.0	-78.61	369.98	-1.18	-79.79
CC(NC(=O)C1=C([O-])C=CC=C1F)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776469	1	42	-1.0	-64.54	370.20	2.39	-62.15
CC(NC(=O)CN1[N-]C(=O)C=CC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776471	0	44	-1.0	-65.21	385.21	-0.49	-65.70
CC(NC(=O)C1=CC=C(F)C=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776472	0	42	-1.0	-70.18	364.65	4.13	-66.05
CC1=CC=C(F)C([O-])=C1C(=O)NC(C)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776502	0	45	-1.0	-61.42	390.03	2.97	-58.45
CC(NC(=O)CC1SC(=O)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776564	0	42	-1.0	-58.23	377.99	-1.87	-60.10
CC(NC(=O)C1=CC=C([O-])C(F)=C1F)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776589	0	42	-1.0	-65.14	371.02	2.62	-62.52
CC(NC(=O)C1=CC=CC(Cl)=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776595	0	42	-1.0	-70.26	374.27	4.58	-65.68
CC1=CC(=O)C(C(=O)NC(C)C2CCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032776623	0	43	-1.0	-55.03	372.73	2.77	-52.26
CC(NC(=O)C1=CC=CC(=O)N1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776648	0	42	-1.0	-88.94	363.50	3.98	-84.96
CC(NC(=O)C1=CC=C(C#N)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776676	0	42	-1.0	-43.60	373.85	0.97	-42.63
CC(NC(=O)C1=NN(C)C(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776722	0	41	-1.0	-65.61	360.80	-0.89	-66.50
CC(NC(=O)C1=C(F)C=CC(O)=C1O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776771	0	43	-1.0	-61.08	381.44	0.53	-60.55
CC(NC(=O)C1=C(F)C=CC(O)=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776771	1	43	-1.0	-61.08	381.44	0.53	-60.55
CC(NC(=O)C1=CC(C#N)=CC=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776780	0	43	-1.0	-59.47	379.62	4.56	-54.91
CC(NC(=O)C1=CN([O-])C(=O)NC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776863	0	42	-1.0	-52.79	368.67	0.61	-52.18
CC(NC(=O)C1=CC=C(F)C(O)=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776914	0	42	-1.0	-71.23	366.69	2.50	-68.73
CC(NC(=O)C1=CC=C(F)C([O-])=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776914	1	42	-1.0	-71.23	366.69	2.50	-68.73
CC(NC(=O)C(F)(F)C(F)(F)F)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776924	0	37	-1.0	-46.57	339.48	1.99	-44.58
CC([N-]C(=O)C(F)(F)C(F)(F)F)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776924	1	37	-1.0	-46.57	339.48	1.99	-44.58
CC(NC(=O)C1=CC=C(Cl)C=C1O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776932	0	42	-1.0	-69.79	374.97	4.58	-65.21
CC(NC(=O)C1=CC=C(Cl)C=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776932	1	42	-1.0	-69.79	374.97	4.58	-65.21
CC(NC(=O)C1=NC(=O)[N-]C(=O)N1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776999	0	40	-1.0	-56.44	357.51	-3.32	-59.76
CC(NC(=O)C1=NC(=O)NC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032776999	1	40	-1.0	-56.44	357.51	-3.32	-59.76
CC(NC(=O)C1=CN=C(N)NC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777053	0	42	-1.0	-59.54	361.80	-0.21	-59.75
CC(NC(=O)C1=CN=C(N)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777053	1	42	-1.0	-59.54	361.80	-0.21	-59.75
CC(NC(=O)C1=NC=CC(Cl)=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777137	0	41	-1.0	-60.95	372.25	2.94	-58.01
CC(NC(=O)C1=CC=NC=C1O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777184	0	41	-1.0	-70.17	353.53	2.23	-67.94
CC(NC(=O)C1=CC=NC=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777184	1	41	-1.0	-70.17	353.53	2.23	-67.94
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777190	0	38	-1.0	-63.68	338.22	-0.59	-64.27
CC(NC(=O)C1=NC(=O)C(C)S1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777212	0	41	-1.0	-66.55	370.02	-0.96	-67.51
CC1=C([O-])N=C(C(=O)NC(C)C2CCN(C(=O)C3=NSNC3=O)C2)S1	REAL300032777212	1	41	-1.0	-66.55	370.02	-0.96	-67.51
CC(NC(=O)C(=O)C1=CC=C(O)C=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777304	0	44	-1.0	-61.60	380.74	2.31	-59.29
CC(NC(=O)C(=O)C1=CC=C([O-])C=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777304	1	44	-1.0	-61.60	380.74	2.31	-59.29
CC(NC(=O)C1=CN=C(C=N[O-])S1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777323	0	41	-1.0	-71.44	379.12	0.57	-70.87
CC(NC(=O)C1=CC(=O)C=C(Cl)N1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777344	0	41	-1.0	-49.07	374.16	2.30	-46.77
CC(NC(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777344	1	41	-1.0	-49.07	374.16	2.30	-46.77
CCN1[N-]C(C(=O)NC(C)C2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032777421	0	45	-1.0	-55.47	388.55	1.65	-53.82
CC(NC(=O)C1=CC(=O)N(C)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777440	0	42	-1.0	-54.79	366.82	0.72	-54.07
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777450	0	42	-1.0	-58.68	380.99	-1.17	-59.85
CC(NC(=O)CC1=CC(=O)NN1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777577	0	42	-1.0	-66.37	364.09	-0.47	-66.84
CC(NC(=O)CC1=CC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777577	1	42	-1.0	-66.37	364.09	-0.47	-66.84
CC(NC(=O)C1=CC=C(O)C(F)=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777582	0	42	-1.0	-65.26	366.65	2.54	-62.72
CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777582	1	42	-1.0	-65.26	366.65	2.54	-62.72
CC(NC(=O)C1=CC(F)=C([O-])C(F)=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777628	0	42	-1.0	-64.23	372.85	2.62	-61.61
CC(NC(=O)C1=CC=NC(Cl)=C1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777633	0	41	-1.0	-68.17	369.75	2.69	-65.48
CC1=CN=C(C(=O)NC(C)C2CCN(C(=O)C3=NSNC3=O)C2)C(O)=C1	REAL300032777684	0	44	-1.0	-71.91	377.25	3.05	-68.86
CC1=CN=C(C(=O)NC(C)C2CCN(C(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300032777684	1	44	-1.0	-71.91	377.25	3.05	-68.86
CC(NC(=O)C1=CC([O-])=CS1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777705	0	39	-1.0	-63.28	353.19	1.48	-61.80
CC(NC(=O)C1=CN([O-])C(=O)C=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300032777721	0	42	-1.0	-75.71	366.12	2.99	-72.72
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300032777873	0	42	-1.0	-56.78	366.78	0.64	-56.14
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300032777880	0	42	-1.0	-57.67	384.15	-1.35	-59.02
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300032778029	0	40	-1.0	-54.94	356.33	-3.64	-58.58
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300032778029	1	40	-1.0	-49.67	357.25	-2.81	-52.48
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300032778168	0	44	-1.0	-60.89	388.54	-0.76	-61.65
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300032778175	0	38	-1.0	-57.51	339.14	-0.87	-58.38
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300032778186	0	42	-1.0	-56.90	378.61	0.07	-56.83
CC1CN(C(=O)C2=CN([O-])C(=O)C=C2)CC1CNC(=O)C1=NSNC1=O	REAL300032780062	0	42	-1.0	-67.02	374.30	2.56	-64.46
CC1CN(C(=O)C2=CC(=O)NC([O-])=C2)CC1CNC(=O)C1=NSNC1=O	REAL300032780176	0	42	-1.0	-51.30	374.55	-2.39	-53.69
CC1CN(C(=O)C2=COC(=O)[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300032780187	1	38	-1.0	-52.15	338.53	-1.32	-53.47
CCN1[N-]C(C(=O)N2CC(C)C(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032780357	0	45	-1.0	-55.37	382.11	1.21	-54.16
CC1CN(C(=O)CC2=CC(=O)N[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300032780365	1	42	-1.0	-65.14	367.52	-0.71	-65.85
CC1CN(C(=O)C2=CC=CC(=S)N2[O-])CC1CNC(=O)C1=NSNC1=O	REAL300032780383	0	42	-1.0	-74.48	378.83	2.69	-71.79
CC1CN(C(=O)CC2SC(=O)[N-]C2=O)CC1CNC(=O)C1=NSNC1=O	REAL300032780392	0	42	-1.0	-50.66	374.81	-2.50	-53.16
CC1CN(C(=O)C2=NN(C)C(=O)[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300032780408	0	41	-1.0	-64.30	355.92	-1.06	-65.36
CC1CN(C(=O)C2=C[N-]N=CC2=O)CC1CNC(=O)C1=NSNC1=O	REAL300032780497	0	40	-1.0	-45.93	349.70	0.32	-45.61
CC1CN(C(=O)C2=CC(=O)N[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300032780596	0	39	-1.0	-51.98	337.57	-1.43	-53.41
CC1CN(C(=O)C(=O)[PH](C)(C)[O-])CC1CNC(=O)C1=NSNC1=O	REAL300032780601	0	44	-1.0	-57.61	371.38	-0.01	-57.62
CC1CN(C(=O)C2=CC=CN([O-])C2=O)CC1CNC(=O)C1=NSNC1=O	REAL300032780632	0	42	-1.0	-78.19	375.02	2.46	-75.73
CC1CN(C(=O)C2=NC(=O)C(C)S2)CC1CNC(=O)C1=NSNC1=O	REAL300032780660	0	41	-1.0	-57.58	364.52	-0.77	-58.35
CC1=C([O-])N=C(C(=O)N2CC(C)C(CNC(=O)C3=NSNC3=O)C2)S1	REAL300032780660	1	41	-1.0	-57.58	364.52	-0.77	-58.35
CC1CN(C(=O)C2=CC(=O)C=C(Cl)N2)CC1CNC(=O)C1=NSNC1=O	REAL300032780674	0	41	-1.0	-48.52	367.54	2.10	-46.42
CC1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300032780674	1	41	-1.0	-48.52	367.54	2.10	-46.42
CC1CN(C(=O)C2=CC(=O)N([O-])C=C2)CC1CNC(=O)C1=NSNC1=O	REAL300032780691	0	42	-1.0	-66.36	375.83	2.57	-63.79
CC1CN(C(=O)C2=CC=CC(=O)N2[O-])CC1CNC(=O)C1=NSNC1=O	REAL300032780724	0	42	-1.0	-71.87	367.72	2.06	-69.81
CC1CN(C(=O)CC2=C([O-])N=C(N)S2)CC1CNC(=O)C1=NSNC1=O	REAL300032780847	0	43	-1.0	-68.24	383.74	-2.55	-70.79
CC1CN(C(=O)CC2=NC([O-])=CS2)CC1CNC(=O)C1=NSNC1=O	REAL300032780892	0	41	-1.0	-76.95	373.37	-1.43	-78.38
CCC1=NC=C(C(=O)N2CC(C)C(CNC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032780910	0	46	-1.0	-68.19	393.65	0.64	-67.55
CCC1=NC=C(C(=O)N2CC(C)C(CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032780910	1	46	-1.0	-68.19	393.65	0.64	-67.55
CC1=CC(=O)C(C(=O)N2CC(C)C(CNC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032781121	0	43	-1.0	-55.01	366.27	2.36	-52.65
CC1CN(C(=O)C2=NNC(=O)[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300032781136	0	38	-1.0	-55.58	332.27	-2.90	-58.48
CC1CN(C(=O)C2=CN=C(C=N[O-])S2)CC1CNC(=O)C1=NSNC1=O	REAL300032781247	0	41	-1.0	-68.94	372.74	-0.25	-69.19
COC1=NC(C(=O)N2CC(C)C(CNC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300032781260	0	44	-1.0	-56.71	375.25	-2.95	-59.66
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=NC=CC=C1[O-]	REAL300032781516	1	41	-1.0	-65.81	349.66	2.07	-63.74
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300032781639	0	40	-1.0	-59.07	349.17	-3.43	-62.50
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)CN1C(=O)[N-]NC1=O	REAL300032781799	0	42	-1.0	-59.85	363.28	-1.78	-61.63
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(Cl)=CC=C1[O-]	REAL300032783118	1	42	-1.0	-62.67	369.16	4.27	-58.40
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC([O-])=CC(C#N)=C1	REAL300032783143	1	43	-1.0	-54.69	375.45	2.51	-52.18
CCC1=NC=C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CC2C)C(=O)[N-]1	REAL300032783226	1	46	-1.0	-56.38	382.74	1.16	-55.22
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=COC(=O)[N-]1	REAL300032783244	1	38	-1.0	-57.49	338.60	-2.17	-59.66
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C[N-]C(=O)C(F)(F)F	REAL300032783311	0	41	-1.0	-54.07	367.73	-1.50	-55.57
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)CC1=C([O-])N=C(N)S1	REAL300032783312	0	43	-1.0	-71.03	378.93	-2.33	-73.36
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=C(F)C=C([O-])C=C1F	REAL300032783321	0	42	-1.0	-54.44	370.87	2.11	-52.33
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=C([O-])C=C1F	REAL300032783336	1	42	-1.0	-59.40	359.11	2.24	-57.16
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC([O-])=CC(=O)O1	REAL300032783342	0	41	-1.0	-57.48	357.93	1.39	-56.09
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=C(C#N)C([O-])=C1	REAL300032783349	1	43	-1.0	-62.59	374.74	2.56	-60.03
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(Cl)=NC=C1[O-]	REAL300032783352	0	41	-1.0	-59.31	364.58	2.37	-56.94
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)CN1N=CC(=O)[N-]C1=O	REAL300032783368	0	43	-1.0	-63.01	373.62	-2.89	-65.90
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)CCC1=NC(=O)[N-]N1	REAL300032783430	1	44	-1.0	-66.48	373.53	-1.69	-68.17
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=C[N-]N=CC1=O	REAL300032783446	0	40	-1.0	-49.83	341.83	0.78	-49.05
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=CC(F)=C1[O-]	REAL300032783455	0	42	-1.0	-70.33	358.66	3.84	-66.49
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=CC([O-])=C1F	REAL300032783541	1	42	-1.0	-69.18	358.98	2.21	-66.97
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(=O)N[N-]1	REAL300032783639	0	39	-1.0	-55.54	337.61	-1.38	-56.92
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C(=O)[PH](C)(C)[O-]	REAL300032783645	0	44	-1.0	-62.41	371.05	0.27	-62.14
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300032783732	0	42	-1.0	-77.08	366.14	3.03	-74.05
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=NNC(=O)[N-]1	REAL300032783756	0	38	-1.0	-58.63	332.10	-2.83	-61.46
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=C(O)C=CC=C1Cl	REAL300032783759	0	42	-1.0	-62.96	373.82	2.49	-60.47
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=C([O-])C=CC=C1Cl	REAL300032783759	1	42	-1.0	-62.96	373.82	2.49	-60.47
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=CN([O-])C1=O	REAL300032783763	0	42	-1.0	-70.36	357.84	2.84	-67.52
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=C(F)C=CC(O)=C1F	REAL300032783792	0	42	-1.0	-61.25	370.70	2.09	-59.16
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=C(F)C=CC([O-])=C1F	REAL300032783792	1	42	-1.0	-61.25	370.70	2.09	-59.16
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(F)=CC=C1O	REAL300032783927	0	42	-1.0	-62.37	358.84	3.82	-58.55
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(F)=CC=C1[O-]	REAL300032783927	1	42	-1.0	-62.37	358.84	3.82	-58.55
CC1=CC=NC(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CC2C)=C1[O-]	REAL300032783990	1	44	-1.0	-65.62	369.98	2.77	-62.85
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CN=CC([O-])=C1	REAL300032784094	1	41	-1.0	-66.28	355.14	0.69	-65.59
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=CC(=S)N1[O-]	REAL300032784104	0	42	-1.0	-86.74	368.87	4.74	-82.00
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=C([O-])C(Cl)=N1	REAL300032784211	0	41	-1.0	-53.79	367.97	0.91	-52.88
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=C([O-])C=C1Cl	REAL300032784249	1	42	-1.0	-58.30	367.08	2.67	-55.63
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)CC1=NC([O-])=CS1	REAL300032784260	0	41	-1.0	-72.46	364.12	-1.46	-73.92
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=C([O-])C=CC=C1F	REAL300032784275	1	42	-1.0	-61.30	364.33	2.11	-59.19
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)CN1[N-]C(=O)C=CC1=O	REAL300032784277	0	44	-1.0	-60.33	379.40	-0.79	-61.12
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=C(F)C=C1[O-]	REAL300032784278	0	42	-1.0	-64.95	358.83	3.84	-61.11
CC1=CC=C(F)C([O-])=C1C(=O)NCC1CN(C(=O)C2=NSNC2=O)CC1C	REAL300032784308	0	45	-1.0	-69.51	383.78	2.66	-66.85
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)CC1SC(=O)[N-]C1=O	REAL300032784370	0	42	-1.0	-54.55	371.39	-2.24	-56.79
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=C([O-])C(F)=C1F	REAL300032784395	0	42	-1.0	-61.11	365.20	2.30	-58.81
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=CC(Cl)=C1[O-]	REAL300032784401	0	42	-1.0	-65.19	368.46	4.29	-60.90
CC1=CC(=O)C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CC2C)=N[N-]1	REAL300032784429	0	43	-1.0	-58.14	366.33	2.41	-55.73
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300032784454	0	42	-1.0	-83.45	357.75	3.70	-79.75
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=C(C#N)[N-]C1=O	REAL300032784482	0	42	-1.0	-51.90	367.60	0.65	-51.25
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=NN(C)C(=O)[N-]1	REAL300032784528	0	41	-1.0	-61.29	354.86	-1.17	-62.46
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=C(F)C=CC(O)=C1O	REAL300032784577	0	43	-1.0	-64.46	375.07	0.18	-64.28
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300032784577	1	43	-1.0	-64.46	375.07	0.18	-64.28
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(C#N)=CC=C1[O-]	REAL300032784586	0	43	-1.0	-59.90	373.26	4.18	-55.72
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CN([O-])C(=O)NC1=O	REAL300032784669	0	42	-1.0	-56.82	363.08	0.32	-56.50
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=C(F)C(O)=C1	REAL300032784720	0	42	-1.0	-72.92	366.33	2.53	-70.39
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=C(F)C([O-])=C1	REAL300032784720	1	42	-1.0	-72.92	366.33	2.53	-70.39
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=C(Cl)C=C1O	REAL300032784738	0	42	-1.0	-64.66	369.15	4.28	-60.38
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=C(Cl)C=C1[O-]	REAL300032784738	1	42	-1.0	-64.66	369.15	4.28	-60.38
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300032784805	0	40	-1.0	-60.21	350.73	-4.45	-64.66
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300032784805	1	40	-1.0	-52.97	351.38	-3.68	-56.65
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CN=C(N)[N-]C1=O	REAL300032784859	1	42	-1.0	-56.95	356.05	-0.49	-57.44
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=C(F)C([O-])=C1F	REAL300032784892	0	42	-1.0	-69.03	365.16	2.28	-66.75
COC1=NC(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CC2C)=CC(=O)[N-]1	REAL300032784934	0	44	-1.0	-59.35	378.33	-3.36	-62.71
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=NC=CC(Cl)=C1[O-]	REAL300032784943	0	41	-1.0	-61.87	365.86	2.58	-59.29
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=C(Cl)C([O-])=C1	REAL300032784981	0	42	-1.0	-68.61	376.13	3.02	-65.59
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=NC=C1[O-]	REAL300032784990	1	41	-1.0	-64.98	347.72	1.96	-63.02
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300032784996	0	38	-1.0	-60.12	332.35	-0.91	-61.03
CC1=C([O-])N=C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CC2C)S1	REAL300032785018	1	41	-1.0	-64.06	364.15	-1.26	-65.32
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C(=O)C1=CC=C([O-])C=C1	REAL300032785110	1	44	-1.0	-58.29	374.92	2.02	-56.27
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CN=C(C=N[O-])S1	REAL300032785129	0	41	-1.0	-68.55	372.98	0.22	-68.33
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300032785150	1	41	-1.0	-52.29	367.76	1.90	-50.39
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300032785170	0	42	-1.0	-55.18	360.71	-2.22	-57.40
CCN1[N-]C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CC2C)=CC1=O	REAL300032785227	0	45	-1.0	-58.63	382.15	1.26	-57.37
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(=O)N(C)[N-]1	REAL300032785246	0	42	-1.0	-57.97	360.42	0.34	-57.63
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300032785256	0	42	-1.0	-59.50	374.58	-1.54	-61.04
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)CC1=CC(=O)N[N-]1	REAL300032785383	1	42	-1.0	-62.31	358.27	-0.74	-63.05
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=C([O-])C(F)=C1	REAL300032785388	1	42	-1.0	-65.81	366.30	2.56	-63.25
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300032785434	0	42	-1.0	-61.01	366.99	2.29	-58.72
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=NC(Cl)=C1[O-]	REAL300032785439	0	41	-1.0	-63.04	363.89	2.41	-60.63
CC1=C(CC(=O)NCC2CN(C(=O)C3=NSNC3=O)CC2C)C(=O)N(C)[N-]1	REAL300032785454	0	48	-1.0	-64.39	401.09	1.67	-62.72
CC1=CN=C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CC2C)C([O-])=C1	REAL300032785490	1	44	-1.0	-67.18	371.11	2.70	-64.48
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC([O-])=CS1	REAL300032785511	0	39	-1.0	-64.38	346.83	1.06	-63.32
CC1CN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300032785527	0	42	-1.0	-71.70	360.25	2.69	-69.01
CC1CN(C(=O)C2=CC(=O)N(C)[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300032785679	0	42	-1.0	-54.55	360.30	0.27	-54.28
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300032785686	0	42	-1.0	-58.29	380.08	-1.72	-60.01
CC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1CNC(=O)C1=NSNC1=O	REAL300032785835	0	40	-1.0	-54.14	350.61	-3.89	-58.03
CC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300032785835	1	40	-1.0	-48.72	357.01	-2.87	-51.59
CC1CN(C(=O)CN2[N-]C(=O)C=CC2=O)CC1CNC(=O)C1=NSNC1=O	REAL300032785974	0	44	-1.0	-58.11	389.08	-0.86	-58.97
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=NSNC1=O	REAL300032785981	0	38	-1.0	-56.94	338.37	-1.08	-58.02
CC1CN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1CNC(=O)C1=NSNC1=O	REAL300032785992	0	42	-1.0	-54.24	365.98	-0.47	-54.71
O=C(NC[C@H]1CC[C@H](CNC(=O)C2=NSNC2=O)CC1)C1=COC(=O)[N-]1	REAL300032786735	1	44	-1.0	-51.85	379.41	-1.86	-53.71
O=C(CC1=CC(=O)N[N-]1)NC[C@H]1CC[C@H](CNC(=O)C2=NSNC2=O)CC1	REAL300032786812	1	48	-1.0	-61.67	404.90	-0.23	-61.90
CN1N=C(C(=O)NC[C@H]2CC[C@H](CNC(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300032786821	0	47	-1.0	-59.18	401.48	-0.64	-59.82
O=C(NC[C@H]1CC[C@H](CNC(=O)C2=C[N-]N=CC2=O)CC1)C1=NSNC1=O	REAL300032786850	0	46	-1.0	-44.85	388.46	1.30	-43.55
O=C(NC[C@H]1CC[C@H](CNC(=O)C2=NSNC2=O)CC1)C1=CC(=O)N[N-]1	REAL300032786884	0	45	-1.0	-52.05	384.24	-0.86	-52.91
O=C(NC[C@H]1CC[C@H](CNC(=O)C2=NSNC2=O)CC1)C1=NC(=O)N[N-]1	REAL300032787048	0	44	-1.0	-51.61	378.82	-2.15	-53.76
O=C(NC[C@@H]1CC[C@@H](CNC(=O)C2=NC=CC=C2[O-])CC1)C1=NSNC1=O	REAL300032787339	1	47	-1.0	-64.28	396.28	2.59	-61.69
O=C(NC[C@H]1CC[C@H](CNC(=O)C2=NSNC2=O)CC1)C1=COC(=O)[N-]1	REAL300032787806	1	44	-1.0	-51.85	379.41	-1.86	-53.71
O=C(NC[C@H]1CC[C@H](CNC(=O)C2=C[N-]N=CC2=O)CC1)C1=NSNC1=O	REAL300032787873	0	46	-1.0	-44.85	388.46	1.30	-43.55
O=C(NC[C@H]1CC[C@H](CNC(=O)C2=NSNC2=O)CC1)C1=CC(=O)N[N-]1	REAL300032787930	0	45	-1.0	-52.05	384.24	-0.86	-52.91
O=C(NC[C@H]1CC[C@H](CNC(=O)C2=NSNC2=O)CC1)C1=NC(=O)N[N-]1	REAL300032787963	0	44	-1.0	-51.61	378.82	-2.15	-53.76
O=C(NC[C@@H]1CC[C@@H](CNC(=O)C2=CN=CC([O-])=C2)CC1)C1=NSNC1=O	REAL300032788068	1	47	-1.0	-58.87	396.24	0.87	-58.00
CN1N=C(C(=O)NC[C@H]2CC[C@H](CNC(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300032788172	0	47	-1.0	-59.18	401.48	-0.64	-59.82
O=C(NC[C@@H]1CC[C@@H](CNC(=O)C2=CC=NC=C2[O-])CC1)C1=NSNC1=O	REAL300032788292	1	47	-1.0	-64.45	394.35	2.47	-61.98
O=C(NC[C@H]1CC[C@H](CNC(=O)C2=NSNC2=O)CC1)C1=CC(=O)[N-]O1	REAL300032788294	0	44	-1.0	-56.26	378.98	-0.37	-56.63
CN1[N-]C(C(=O)NC[C@H]2CC[C@H](CNC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032788376	0	48	-1.0	-54.67	407.05	0.84	-53.83
O=C(CC1=CC(=O)N[N-]1)NC[C@H]1CC[C@H](CNC(=O)C2=NSNC2=O)CC1	REAL300032788421	1	48	-1.0	-61.67	404.90	-0.23	-61.90
O=C(NC[C@H]1CC[C@H](CNC(=O)C2=NSNC2=O)CC1)C1=CC([O-])=CS1	REAL300032788464	0	45	-1.0	-62.12	393.45	1.58	-60.54
CN1[N-]C(C(=O)NC[C@H]2CC[C@H](CNC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032788521	0	48	-1.0	-54.67	407.05	0.84	-53.83
O=C(NC[C@H]1CC[C@H](CNC(=O)C2=NSNC2=O)CC1)C1=CC(=O)[N-]O1	REAL300032788624	0	44	-1.0	-56.26	378.98	-0.37	-56.63
O=C(NCCN(CC1=CC=CC=C1)C(=O)C1=COC(=O)[N-]1)C1=NSNC1=O	REAL300032789016	1	41	-1.0	-55.02	367.87	1.52	-53.50
O=C(NCCN(CC1=CC=CC=C1)C(=O)C1=CC(=O)N[N-]1)C1=NSNC1=O	REAL300032789110	0	42	-1.0	-58.22	375.39	1.44	-56.78
O=C(NCCN(CC1=CC=CC=C1)C(=O)C1=NC(=O)N[N-]1)C1=NSNC1=O	REAL300032789197	0	41	-1.0	-57.03	365.55	1.41	-55.62
O=C(NCCN(CC1=CC=CC=C1)C(=O)C1=NSNC1=O)C1=NC=CC=C1[O-]	REAL300032789383	1	44	-1.0	-59.07	387.44	4.97	-54.10
O=C(NCCN(CC1=CC=CC=C1)C(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300032789618	1	41	-1.0	-55.03	365.38	0.48	-54.55
O=C(NCCN(CC1=CC=CC=C1)C(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300032789688	0	42	-1.0	-48.68	375.01	1.42	-47.26
O=C(NCCN(CC1=CC=CC=C1)C(=O)C1=NSNC1=O)C1=NC(=O)N[N-]1	REAL300032789703	0	41	-1.0	-46.84	371.42	0.21	-46.63
O=C(NCCN(CC1=CC=CC=C1)C(=O)C1=NSNC1=O)C1=CN=CC([O-])=C1	REAL300032789764	1	44	-1.0	-58.02	386.88	3.15	-54.87
O=C(NCCN(CC1=CC=CC=C1)C(=O)C1=NSNC1=O)C1=CC=NC=C1[O-]	REAL300032789887	1	44	-1.0	-62.91	385.12	4.77	-58.14
O=C(NCCN(CC1=CC=CC=C1)C(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300032789889	0	41	-1.0	-59.11	364.95	1.94	-57.17
O=C(NCCN(CC1=CC=CC=C1)C(=O)C1=CC(=O)[N-]O1)C1=NSNC1=O	REAL300032790083	0	41	-1.0	-63.16	372.15	1.35	-61.81
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CN([O-])C(=O)C=C3)C[C@H]2C1	REAL300032792071	0	40	-1.0	-67.70	349.31	3.52	-64.18
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC(=O)NC([O-])=C3)C[C@H]2C1	REAL300032792191	0	40	-1.0	-52.31	351.70	-1.46	-53.77
O=C(C1=COC(=O)[N-]1)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300032792202	1	36	-1.0	-60.37	315.47	-0.41	-60.78
CCN1[N-]C(C(=O)N2C[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=CC1=O	REAL300032792378	0	43	-1.0	-57.85	364.67	2.35	-55.50
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300032792386	1	40	-1.0	-61.50	342.38	0.19	-61.31
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC=CC(=S)N3[O-])C[C@H]2C1	REAL300032792404	0	40	-1.0	-85.82	353.09	4.84	-80.98
O=C(CC1SC(=O)[N-]C1=O)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300032792414	0	40	-1.0	-55.71	357.83	-1.33	-57.04
CN1N=C(C(=O)N2C[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]3C2)[N-]C1=O	REAL300032792430	0	39	-1.0	-59.91	335.74	-0.02	-59.93
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=C[N-]N=CC3=O)C[C@H]2C1	REAL300032792521	0	38	-1.0	-55.06	334.60	1.31	-53.75
O=C(C1=CC(=O)N[N-]1)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300032792628	0	37	-1.0	-51.97	318.29	-0.21	-52.18
C[PH](C)([O-])C(=O)C(=O)N1C[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C1	REAL300032792633	0	42	-1.0	-60.79	359.19	0.87	-59.92
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC=CN([O-])C3=O)C[C@H]2C1	REAL300032792665	0	40	-1.0	-79.39	350.96	3.43	-75.96
CC1SC(C(=O)N2C[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]3C2)=NC1=O	REAL300032792694	0	39	-1.0	-66.12	346.96	0.40	-65.72
CC1=C([O-])N=C(C(=O)N2C[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]3C2)S1	REAL300032792694	1	39	-1.0	-66.12	346.96	0.40	-65.72
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC(=O)C=C(Cl)N3)C[C@H]2C1	REAL300032792708	0	39	-1.0	-50.22	348.40	3.32	-46.90
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C[C@H]2C1	REAL300032792708	1	39	-1.0	-50.22	348.40	3.32	-46.90
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC(=O)N([O-])C=C3)C[C@H]2C1	REAL300032792727	0	40	-1.0	-71.12	351.30	3.53	-67.59
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC=CC(=O)N3[O-])C[C@H]2C1	REAL300032792762	0	40	-1.0	-82.10	341.98	3.97	-78.13
NC1=NC([O-])=C(CC(=O)N2C[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)S1	REAL300032792892	0	41	-1.0	-84.14	364.87	-1.43	-85.57
O=C(CC1=NC([O-])=CS1)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300032792940	0	39	-1.0	-72.13	348.09	-0.52	-72.65
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC(Cl)=CC=C3[O-])C[C@H]2C1	REAL300032795310	1	40	-1.0	-62.59	352.11	4.44	-58.15
N#CC1=CC([O-])=CC(C(=O)N2C[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=C1	REAL300032795335	1	41	-1.0	-56.39	356.08	3.06	-53.33
CCC1=NC=C(C(=O)N2C[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)C(=O)[N-]1	REAL300032795423	1	44	-1.0	-62.06	374.58	1.59	-60.47
O=C(C1=COC(=O)[N-]1)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300032795442	1	36	-1.0	-60.37	315.47	-0.41	-60.78
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300032795512	0	39	-1.0	-52.33	351.70	-0.57	-52.90
NC1=NC([O-])=C(CC(=O)N2C[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)S1	REAL300032795513	0	41	-1.0	-84.14	364.87	-1.43	-85.57
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=C(F)C=C([O-])C=C3F)C[C@H]2C1	REAL300032795523	0	40	-1.0	-52.49	355.19	3.03	-49.46
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC=C([O-])C=C3F)C[C@H]2C1	REAL300032795538	1	40	-1.0	-59.72	344.29	2.73	-56.99
O=C(C1=NSNC1=O)N1C[C@@H]2CN(C(=O)C3=CC([O-])=CC(=O)O3)C[C@@H]2C1	REAL300032795544	0	39	-1.0	-53.84	340.90	2.13	-51.71
N#CC1=CC=C(C(=O)N2C[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)C=C1[O-]	REAL300032795551	1	41	-1.0	-50.07	355.37	3.12	-46.95
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC(Cl)=NC=C3[O-])C[C@H]2C1	REAL300032795554	0	39	-1.0	-63.35	349.42	2.49	-60.86
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300032795572	0	41	-1.0	-62.73	357.73	-1.98	-64.71
CC1=CC=C([O-])C(C(=O)N2C[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=N1	REAL300032795635	1	42	-1.0	-65.16	352.02	4.08	-61.08
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=C[N-]N=CC3=O)C[C@H]2C1	REAL300032795653	0	38	-1.0	-55.06	334.60	1.31	-53.75
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC=CC(F)=C3[O-])C[C@H]2C1	REAL300032795662	0	40	-1.0	-71.82	341.60	4.08	-67.74
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC=CC([O-])=C3F)C[C@H]2C1	REAL300032795758	1	40	-1.0	-69.16	341.85	2.77	-66.39
O=C(C1=CC(=O)N[N-]1)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300032795866	0	37	-1.0	-51.97	318.29	-0.21	-52.18
C[PH](C)([O-])C(=O)C(=O)N1C[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C1	REAL300032795872	0	42	-1.0	-60.79	359.19	0.87	-59.92
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC(=O)N([O-])C=C3)C[C@H]2C1	REAL300032795968	0	40	-1.0	-71.12	351.30	3.53	-67.59
O=C(C1=NC(=O)N[N-]1)N1C[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C1	REAL300032795993	0	36	-1.0	-51.76	315.42	-1.06	-52.82
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=C([O-])C=CC=C3Cl)C[C@H]2C1	REAL300032795996	1	40	-1.0	-61.91	360.40	3.37	-58.54
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC=CN([O-])C3=O)C[C@H]2C1	REAL300032796000	0	40	-1.0	-79.39	350.96	3.43	-75.96
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=C(F)C=CC([O-])=C3F)C[C@H]2C1	REAL300032796029	1	40	-1.0	-63.32	356.97	3.00	-60.32
NC1=CC(=O)[N-]C(C(=O)N2C[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]3C2)=N1	REAL300032796116	0	40	-1.0	-62.08	342.35	-0.51	-62.59
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC=C([O-])C(Cl)=C3)C[C@H]2C1	REAL300032796168	0	40	-1.0	-52.58	351.19	3.25	-49.33
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC(F)=CC=C3[O-])C[C@H]2C1	REAL300032796173	1	40	-1.0	-61.89	341.79	4.00	-57.89
CC1=CC=NC(C(=O)N2C[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=C1[O-]	REAL300032796238	1	42	-1.0	-64.13	350.73	4.20	-59.93
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CN=CC([O-])=C3)C[C@H]2C1	REAL300032796353	1	39	-1.0	-52.84	332.03	0.79	-52.05
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC=CC(=S)N3[O-])C[C@H]2C1	REAL300032796363	0	40	-1.0	-85.82	353.09	4.84	-80.98
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC=C([O-])C(Cl)=N3)C[C@H]2C1	REAL300032796475	0	39	-1.0	-49.26	350.87	2.24	-47.02
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC=C([O-])C=C3Cl)C[C@H]2C1	REAL300032796517	1	40	-1.0	-57.65	352.97	3.17	-54.48
O=C(CC1=NC([O-])=CS1)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300032796528	0	39	-1.0	-72.13	348.09	-0.52	-72.65
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=C([O-])C=CC=C3F)C[C@H]2C1	REAL300032796543	0	40	-1.0	-63.11	350.90	3.00	-60.11
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300032796545	0	42	-1.0	-59.21	363.50	0.12	-59.09
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC=C(F)C=C3[O-])C[C@H]2C1	REAL300032796546	0	40	-1.0	-70.71	344.07	3.97	-66.74
CC1=CC=C(F)C([O-])=C1C(=O)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300032796583	0	43	-1.0	-65.55	368.17	3.60	-61.95
O=C(CC1SC(=O)[N-]C1=O)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300032796652	0	40	-1.0	-55.71	357.83	-1.33	-57.04
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC=C([O-])C(F)=C3F)C[C@H]2C1	REAL300032796677	0	40	-1.0	-58.86	348.08	2.86	-56.00
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC=CC(Cl)=C3[O-])C[C@H]2C1	REAL300032796684	0	40	-1.0	-66.19	351.40	4.57	-61.62
CC1=CC(=O)C(C(=O)N2C[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=N[N-]1	REAL300032796713	0	41	-1.0	-56.01	347.14	3.56	-52.45
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC=CC(=O)N3[O-])C[C@H]2C1	REAL300032796738	0	40	-1.0	-82.10	341.98	3.97	-78.13
N#CC1=CC=C(C(=O)N2C[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)C(=O)[N-]1	REAL300032796768	0	40	-1.0	-56.06	358.33	1.19	-54.87
CN1N=C(C(=O)N2C[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]3C2)[N-]C1=O	REAL300032796817	0	39	-1.0	-59.91	335.74	-0.02	-59.93
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=C(F)C=CC(O)=C3O)C[C@H]2C1	REAL300032796870	0	41	-1.0	-61.67	359.47	1.12	-60.55
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=C(F)C=CC(O)=C3[O-])C[C@H]2C1	REAL300032796870	1	41	-1.0	-61.67	359.47	1.12	-60.55
N#CC1=CC=C([O-])C(C(=O)N2C[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=C1	REAL300032796879	0	41	-1.0	-58.60	356.23	4.36	-54.24
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CN([O-])C(=O)NC3=O)C[C@H]2C1	REAL300032796973	0	40	-1.0	-58.57	356.08	0.85	-57.72
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC=C(F)C([O-])=C3)C[C@H]2C1	REAL300032797026	1	40	-1.0	-53.47	341.42	2.74	-50.73
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC=C(Cl)C=C3[O-])C[C@H]2C1	REAL300032797045	1	40	-1.0	-70.25	354.39	4.41	-65.84
O=C(C1=NSNC1=O)N1C[C@@H]2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C[C@@H]2C1	REAL300032797115	0	38	-1.0	-57.52	334.02	-1.97	-59.49
O=C(C1=NSNC1=O)N1C[C@@H]2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C[C@@H]2C1	REAL300032797115	1	38	-1.0	-57.52	334.02	-1.97	-59.49
NC1=NC=C(C(=O)N2C[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)C(=O)N1	REAL300032797175	0	40	-1.0	-60.92	346.99	0.06	-60.86
NC1=NC=C(C(=O)N2C[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)C(=O)[N-]1	REAL300032797175	1	40	-1.0	-60.92	346.99	0.06	-60.86
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=NC=CC(Cl)=C3[O-])C[C@H]2C1	REAL300032797265	0	39	-1.0	-66.79	348.77	3.94	-62.85
O=C(C1=CC(=O)[N-]O1)N1C[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C1	REAL300032797318	0	36	-1.0	-65.39	315.33	-0.10	-65.49
CC1SC(C(=O)N2C[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]3C2)=NC1=O	REAL300032797341	0	39	-1.0	-66.12	346.96	0.40	-65.72
CC1=C([O-])N=C(C(=O)N2C[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]3C2)S1	REAL300032797341	1	39	-1.0	-66.12	346.96	0.40	-65.72
O=C(C(=O)N1C[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C1)C1=CC=C(O)C=C1	REAL300032797435	0	42	-1.0	-56.79	356.21	2.94	-53.85
O=C(C(=O)N1C[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C1)C1=CC=C([O-])C=C1	REAL300032797435	1	42	-1.0	-56.79	356.21	2.94	-53.85
O=C(C1=CN=C(C=N[O-])S1)N1C[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C1	REAL300032797456	0	39	-1.0	-69.34	353.42	0.67	-68.67
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC(=O)C=C(Cl)N3)C[C@H]2C1	REAL300032797480	0	39	-1.0	-50.22	348.40	3.32	-46.90
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C[C@H]2C1	REAL300032797480	1	39	-1.0	-50.22	348.40	3.32	-46.90
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC(=O)NC([O-])=C3)C[C@H]2C1	REAL300032797502	0	40	-1.0	-52.31	351.70	-1.46	-53.77
CCN1[N-]C(C(=O)N2C[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=CC1=O	REAL300032797563	0	43	-1.0	-57.85	364.67	2.35	-55.50
CN1[N-]C(C(=O)N2C[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=CC1=O	REAL300032797584	0	40	-1.0	-57.26	342.94	1.42	-55.84
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C1	REAL300032797594	0	40	-1.0	-60.09	360.68	-0.63	-60.72
O=C(CC1=CC(=O)NN1)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300032797730	0	40	-1.0	-61.50	342.38	0.19	-61.31
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300032797730	1	40	-1.0	-61.50	342.38	0.19	-61.31
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC=C(O)C(F)=C3)C[C@H]2C1	REAL300032797735	0	40	-1.0	-55.90	341.39	2.77	-53.13
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC=C([O-])C(F)=C3)C[C@H]2C1	REAL300032797735	1	40	-1.0	-55.90	341.39	2.77	-53.13
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC(F)=C([O-])C(F)=C3)C[C@H]2C1	REAL300032797782	0	40	-1.0	-59.62	349.47	2.78	-56.84
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CC=NC(Cl)=C3[O-])C[C@H]2C1	REAL300032797787	0	39	-1.0	-63.92	346.46	2.61	-61.31
CC1=CN=C(C(=O)N2C[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)C(O)=C1	REAL300032797838	0	42	-1.0	-65.79	351.85	4.12	-61.67
CC1=CN=C(C(=O)N2C[C@@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]3C2)C([O-])=C1	REAL300032797838	1	42	-1.0	-65.79	351.85	4.12	-61.67
O=C(C1=CC([O-])=CS1)N1C[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C1	REAL300032797861	0	37	-1.0	-64.83	326.16	1.57	-63.26
O=C(C1=NSNC1=O)N1C[C@H]2CN(C(=O)C3=CN([O-])C(=O)C=C3)C[C@H]2C1	REAL300032797877	0	40	-1.0	-67.70	349.31	3.52	-64.18
O=C(NCCN1CCC(NC(=O)C2=C[N-]N=CC2=O)CC1)C1=NSNC1=O	REAL300032800257	1	45	-1.0	-48.24	382.80	-2.09	-50.33
O=C(NC1CCN(CCNC(=O)C2=NSNC2=O)CC1)C1=CC(=O)N[N-]1	REAL300032800314	1	44	-1.0	-55.66	378.59	-4.24	-59.90
O=C(NC1CCN(CCNC(=O)C2=NSNC2=O)CC1)C1=NC(=O)N[N-]1	REAL300032800346	1	43	-1.0	-54.85	373.18	-5.57	-60.42
CN1N=C(C(=O)NC2CCN(CCNC(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300032800549	1	46	-1.0	-61.69	396.93	-3.88	-65.57
O=C(NC1CCN(CCNC(=O)C2=NSNC2=O)CC1)C1=CC(=O)[N-]O1	REAL300032800669	1	43	-1.0	-59.44	373.33	-3.76	-63.20
CN1[N-]C(C(=O)NC2CCN(CCNC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032800749	1	47	-1.0	-58.38	401.40	-2.53	-60.91
O=C(NCCN1CCC(NC(=O)C2=CC([O-])=CS2)CC1)C1=NSNC1=O	REAL300032800833	1	44	-1.0	-65.70	387.82	-1.80	-67.50
CN1[N-]C(C(=O)NCCN2CCC(NC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032800890	1	47	-1.0	-56.89	401.40	-2.55	-59.44
O=C(NC1(CO)CCCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300032803977	0	40	-1.0	-48.49	339.12	-4.15	-52.64
C[PH](C)([O-])C(=O)C(=O)N1CCCC(CO)(NC(=O)C2=NSNC2=O)C1	REAL300032803982	0	45	-1.0	-48.28	378.74	-3.16	-51.44
CN1[N-]C(CC(=O)N2CCCC(CO)(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032803986	0	46	-1.0	-59.25	386.04	-1.99	-61.24
O=C(NC1(CO)CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=NSNC1=O	REAL300032804027	0	43	-1.0	-66.77	364.02	-0.67	-67.44
O=C(NC1(CO)CCCN(C(=O)C2=NC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300032804041	0	39	-1.0	-47.71	334.11	-4.72	-52.43
O=C(NC1(CO)CCCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=NSNC1=O	REAL300032804044	0	43	-1.0	-71.98	369.58	-0.43	-72.41
NC1=CC(=O)[N-]C(C(=O)N2CCCC(CO)(NC(=O)C3=NSNC3=O)C2)=N1	REAL300032804114	0	43	-1.0	-57.41	364.14	-4.47	-61.88
O=C(NC1(CO)CCCN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=NSNC1=O	REAL300032804138	1	43	-1.0	-54.61	365.86	-0.74	-55.35
CC1=CC=NC(C(=O)N2CCCC(CO)(NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300032804178	1	45	-1.0	-59.62	372.31	0.23	-59.39
O=C(NC1(CO)CCCN(C(=O)C2=CN=CC([O-])=C2)C1)C1=NSNC1=O	REAL300032804232	1	42	-1.0	-55.30	353.61	-3.09	-58.39
O=C(CC1=NC([O-])=CS1)N1CCCC(CO)(NC(=O)C2=NSNC2=O)C1	REAL300032804304	0	42	-1.0	-68.93	369.27	-4.44	-73.37
O=C(NC1(CO)CCCN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=NSNC1=O	REAL300032804314	0	43	-1.0	-56.06	369.96	-0.91	-56.97
O=C(NC1(CO)CCCN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=NSNC1=O	REAL300032804315	0	43	-1.0	-57.47	365.57	-0.78	-58.25
CC1=CC(=O)C(C(=O)N2CCCC(CO)(NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032804397	0	44	-1.0	-51.35	368.62	-0.42	-51.77
O=C(NC1(CO)CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=NSNC1=O	REAL300032804411	0	43	-1.0	-62.33	362.37	-0.39	-62.72
CN1N=C(C(=O)N2CCCC(CO)(NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300032804452	0	42	-1.0	-55.10	356.83	-3.93	-59.03
O=C(NC1(CO)CCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=NSNC1=O	REAL300032804561	1	43	-1.0	-61.44	364.25	-1.17	-62.61
O=C(NC1(CO)CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300032804603	0	41	-1.0	-44.38	352.98	-5.93	-50.31
O=C(NC1(CO)CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300032804603	1	41	-1.0	-44.38	352.98	-5.93	-50.31
NC1=NC=C(C(=O)N2CCCC(CO)(NC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032804637	0	43	-1.0	-49.15	360.23	-4.05	-53.20
NC1=NC=C(C(=O)N2CCCC(CO)(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032804637	1	43	-1.0	-49.15	360.23	-4.05	-53.20
O=C(NC1(CO)CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NSNC1=O	REAL300032804714	0	39	-1.0	-53.59	334.40	-4.04	-57.63
CC1SC(C(=O)N2CCCC(CO)(NC(=O)C3=NSNC3=O)C2)=NC1=O	REAL300032804728	0	42	-1.0	-53.77	366.04	-3.35	-57.12
CC1=C([O-])N=C(C(=O)N2CCCC(CO)(NC(=O)C3=NSNC3=O)C2)S1	REAL300032804728	1	42	-1.0	-53.77	366.04	-3.35	-57.12
O=C(NC1(CO)CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=NSNC1=O	REAL300032804817	0	43	-1.0	-47.60	364.21	-5.64	-53.24
CCN1[N-]C(C(=O)N2CCCC(CO)(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032804854	0	46	-1.0	-51.35	383.49	-1.54	-52.89
CN1[N-]C(C(=O)N2CCCC(CO)(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032804869	0	43	-1.0	-51.02	362.02	-2.40	-53.42
O=C(CC1=CC(=O)NN1)N1CCCC(CO)(NC(=O)C2=NSNC2=O)C1	REAL300032804945	0	43	-1.0	-57.92	363.39	-3.72	-61.64
O=C(CC1=CC(=O)N[N-]1)N1CCCC(CO)(NC(=O)C2=NSNC2=O)C1	REAL300032804945	1	43	-1.0	-57.92	363.39	-3.72	-61.64
O=C(NC1(CO)CCCN(C(=O)C2=CC=C(O)C(F)=C2)C1)C1=NSNC1=O	REAL300032804949	0	43	-1.0	-55.92	364.24	-1.15	-57.07
O=C(NC1(CO)CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300032804949	1	43	-1.0	-55.92	364.24	-1.15	-57.07
O=C(C1=NSNC1=O)N1CCC2C1CCCN2C(=O)C1=NNC(=O)[N-]C1=O	REAL300032806052	0	41	-1.0	-54.71	341.39	-1.81	-56.52
O=C(CN1C(=O)[N-]NC1=O)N1CCCC2C1CCN2C(=O)C1=NSNC1=O	REAL300032806103	0	43	-1.0	-55.35	358.75	-0.22	-55.57
O=C(C1=NSNC1=O)N1CCC2C1CCCN2C(=O)C1=CN([O-])C(=O)C=C1	REAL300032806483	0	43	-1.0	-63.64	360.59	4.11	-59.53
O=C(C1=NSNC1=O)N1CCC2C1CCCN2C(=O)C1=CC(=O)NC([O-])=C1	REAL300032806562	0	43	-1.0	-49.71	357.71	-0.92	-50.63
O=C(C1=NSNC1=O)N1CCC2C1CCCN2C(=O)C1=COC(=O)[N-]1	REAL300032806573	1	39	-1.0	-50.08	324.93	0.53	-49.55
CCN1[N-]C(C(=O)N2CCCC3C2CCN3C(=O)C2=NSNC2=O)=CC1=O	REAL300032806690	0	46	-1.0	-53.14	374.34	3.11	-50.03
O=C(CC1=CC(=O)N[N-]1)N1CCCC2C1CCN2C(=O)C1=NSNC1=O	REAL300032806697	1	43	-1.0	-58.15	353.69	0.86	-57.29
CN1N=C(C(=O)N2CCCC3C2CCN3C(=O)C2=NSNC2=O)[N-]C1=O	REAL300032806720	0	42	-1.0	-56.12	347.06	0.67	-55.45
O=C(C1=NSNC1=O)N1CCC2C1CCCN2C(=O)C1=C[N-]N=CC1=O	REAL300032806777	0	41	-1.0	-51.00	343.81	1.94	-49.06
O=C(C1=NSNC1=O)N1CCC2C1CCCN2C(=O)C1=CC(=O)N[N-]1	REAL300032806842	0	40	-1.0	-50.07	329.80	0.47	-49.60
C[PH](C)([O-])C(=O)C(=O)N1CCCC2C1CCN2C(=O)C1=NSNC1=O	REAL300032806847	0	45	-1.0	-49.46	363.08	1.47	-47.99
O=C(C1=NSNC1=O)N1CCC2C1CCCN2C(=O)C1=CC=CN([O-])C1=O	REAL300032806871	0	43	-1.0	-76.55	360.12	4.09	-72.46
CC1SC(C(=O)N2CCCC3C2CCN3C(=O)C2=NSNC2=O)=NC1=O	REAL300032806892	0	42	-1.0	-56.14	356.78	1.24	-54.90
CC1=C([O-])N=C(C(=O)N2CCCC3C2CCN3C(=O)C2=NSNC2=O)S1	REAL300032806892	1	42	-1.0	-56.14	356.78	1.24	-54.90
O=C(C1=NSNC1=O)N1CCC2C1CCCN2C(=O)C1=CC(=O)N([O-])C=C1	REAL300032806908	0	43	-1.0	-64.07	360.42	4.13	-59.94
O=C(C1=NSNC1=O)N1CCC2C1CCCN2C(=O)C1=CC=CC(=O)N1[O-]	REAL300032806933	0	43	-1.0	-77.64	359.95	3.89	-73.75
N#CC1=CC([O-])=CC(C(=O)N2CCC3C2CCCN3C(=O)C2=NSNC2=O)=C1	REAL300032808405	1	44	-1.0	-54.30	367.53	3.77	-50.53
O=C(C1=COC(=O)[N-]1)N1CCC2C1CCCN2C(=O)C1=NSNC1=O	REAL300032808461	1	39	-1.0	-54.82	325.20	0.10	-54.72
O=C(C1=NSNC1=O)N1CCCC2C1CCN2C(=O)C1=CC=C([O-])C=C1F	REAL300032808527	1	43	-1.0	-55.25	353.80	3.52	-51.73
O=C(C1=NSNC1=O)N1CCCC2C1CCN2C(=O)C1=CC([O-])=CC(=O)O1	REAL300032808531	0	42	-1.0	-53.42	350.06	2.81	-50.61
N#CC1=CC=C(C(=O)N2CCC3C2CCCN3C(=O)C2=NSNC2=O)C=C1[O-]	REAL300032808533	1	44	-1.0	-54.95	367.48	3.82	-51.13
CC1=CC=C([O-])C(C(=O)N2CCC3C2CCCN3C(=O)C2=NSNC2=O)=N1	REAL300032808576	1	45	-1.0	-65.70	363.32	4.53	-61.17
O=C(C1=NSNC1=O)N1CCCC2C1CCN2C(=O)C1=C[N-]N=CC1=O	REAL300032808587	0	41	-1.0	-51.72	343.10	2.06	-49.66
O=C(C1=NSNC1=O)N1CCCC2C1CCN2C(=O)C1=CC=CC(F)=C1[O-]	REAL300032808592	0	43	-1.0	-67.29	352.67	4.58	-62.71
O=C(C1=NSNC1=O)N1CCCC2C1CCN2C(=O)C1=CC=CC([O-])=C1F	REAL300032808647	1	43	-1.0	-64.09	355.34	3.52	-60.57
O=C(C1=CC(=O)N[N-]1)N1CCC2C1CCCN2C(=O)C1=NSNC1=O	REAL300032808708	0	40	-1.0	-53.13	330.08	0.34	-52.79
C[PH](C)([O-])C(=O)C(=O)N1CCC2C1CCCN2C(=O)C1=NSNC1=O	REAL300032808712	0	45	-1.0	-53.05	368.74	1.53	-51.52
O=C(C1=NSNC1=O)N1CCCC2C1CCN2C(=O)C1=CC(=O)N([O-])C=C1	REAL300032808755	0	43	-1.0	-66.73	360.62	4.17	-62.56
O=C(C1=NNC(=O)[N-]1)N1CCC2C1CCCN2C(=O)C1=NSNC1=O	REAL300032808772	0	39	-1.0	-56.22	324.61	-1.05	-57.27
O=C(C1=NSNC1=O)N1CCCC2C1CCN2C(=O)C1=CC=CN([O-])C1=O	REAL300032808776	0	43	-1.0	-73.92	359.43	4.17	-69.75
O=C(C1=NSNC1=O)N1CCCC2C1CCN2C(=O)C1=CC(F)=CC=C1O	REAL300032808869	0	43	-1.0	-59.49	352.85	4.66	-54.83
O=C(C1=NSNC1=O)N1CCCC2C1CCN2C(=O)C1=CC(F)=CC=C1[O-]	REAL300032808869	1	43	-1.0	-59.49	352.85	4.66	-54.83
CC1=CC=NC(C(=O)N2CCC3C2CCCN3C(=O)C2=NSNC2=O)=C1O	REAL300032808908	0	45	-1.0	-65.09	362.01	4.70	-60.39
CC1=CC=NC(C(=O)N2CCC3C2CCCN3C(=O)C2=NSNC2=O)=C1[O-]	REAL300032808908	1	45	-1.0	-65.09	362.01	4.70	-60.39
O=C(C1=NSNC1=O)N1CCC2C1CCCN2C(=O)C1=CC(=O)[N-]O1	REAL300032810029	0	39	-1.0	-55.11	324.76	0.47	-54.64
O=C(C1=NSNC1=O)N1C[C@@H]2CCCN(C(=O)C3=NNC(=O)[N-]C3=O)[C@@H]2C1	REAL300032810766	0	41	-1.0	-51.87	343.51	-1.32	-53.19
O=C(CN1C(=O)[N-]NC1=O)N1CCC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]21	REAL300032810810	0	43	-1.0	-52.31	357.36	-0.42	-52.73
N#CC1=CC([O-])=CC(C(=O)N2C[C@@H]3CCCN(C(=O)C4=NSNC4=O)[C@@H]3C2)=C1	REAL300032813081	1	44	-1.0	-49.21	368.16	4.07	-45.14
O=C(C1=COC(=O)[N-]1)N1C[C@@H]2CCCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300032813148	1	39	-1.0	-49.73	326.67	0.66	-49.07
O=C(C1=NSNC1=O)N1CCC[C@H]2CN(C(=O)C3=CC=C([O-])C=C3F)C[C@H]21	REAL300032813217	1	43	-1.0	-49.05	353.32	3.75	-45.30
O=C(C1=NSNC1=O)N1CCC[C@H]2CN(C(=O)C3=CC([O-])=CC(=O)O3)C[C@H]21	REAL300032813221	0	42	-1.0	-51.58	353.13	2.87	-48.71
N#CC1=CC=C(C(=O)N2C[C@@H]3CCCN(C(=O)C4=NSNC4=O)[C@@H]3C2)C=C1[O-]	REAL300032813224	1	44	-1.0	-56.90	366.50	4.09	-52.81
CC1=CC=C([O-])C(C(=O)N2C[C@@H]3CCCN(C(=O)C4=NSNC4=O)[C@@H]3C2)=N1	REAL300032813275	1	45	-1.0	-69.19	364.47	4.93	-64.26
O=C(CCC1=NC(=O)[N-]N1)N1C[C@@H]2CCCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300032813276	1	45	-1.0	-68.57	368.54	-0.10	-68.67
O=C(C1=NSNC1=O)N1CCC[C@H]2CN(C(=O)C3=C[N-]N=CC3=O)C[C@H]21	REAL300032813286	0	41	-1.0	-43.09	344.82	2.39	-40.70
O=C(C1=NSNC1=O)N1CCC[C@H]2CN(C(=O)C3=CC=CC(F)=C3[O-])C[C@H]21	REAL300032813293	0	43	-1.0	-72.21	352.92	4.44	-67.77
O=C(C1=NSNC1=O)N1CCC[C@H]2CN(C(=O)C3=CC=CC([O-])=C3F)C[C@H]21	REAL300032813357	1	43	-1.0	-69.90	353.20	3.43	-66.47
O=C(C1=CC(=O)N[N-]1)N1C[C@@H]2CCCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300032813429	0	40	-1.0	-50.78	331.57	0.78	-50.00
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2CCCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300032813434	0	45	-1.0	-59.76	362.72	1.45	-58.31
O=C(C1=NSNC1=O)N1CCC[C@H]2CN(C(=O)C3=CC(=O)N([O-])C=C3)C[C@H]21	REAL300032813484	0	43	-1.0	-63.10	362.67	4.60	-58.50
O=C(C1=NNC(=O)[N-]1)N1C[C@@H]2CCCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300032813501	0	39	-1.0	-57.51	328.74	-0.73	-58.24
O=C(C1=NSNC1=O)N1CCC[C@H]2CN(C(=O)C3=CC=CN([O-])C3=O)C[C@H]21	REAL300032813506	0	43	-1.0	-76.04	361.16	4.23	-71.81
O=C(C1=NSNC1=O)N1CCC[C@H]2CN(C(=O)C3=CC(F)=CC=C3O)C[C@H]21	REAL300032813612	0	43	-1.0	-65.10	351.92	4.65	-60.45
O=C(C1=NSNC1=O)N1CCC[C@H]2CN(C(=O)C3=CC(F)=CC=C3[O-])C[C@H]21	REAL300032813612	1	43	-1.0	-65.10	351.92	4.65	-60.45
CC1=CC=NC(C(=O)N2C[C@@H]3CCCN(C(=O)C4=NSNC4=O)[C@@H]3C2)=C1O	REAL300032813654	0	45	-1.0	-67.87	360.77	4.78	-63.09
CC1=CC=NC(C(=O)N2C[C@@H]3CCCN(C(=O)C4=NSNC4=O)[C@@H]3C2)=C1[O-]	REAL300032813654	1	45	-1.0	-67.87	360.77	4.78	-63.09
O=C(C1=NSNC1=O)N1CCC[C@H]2CN(C(=O)C3=CN=CC(O)=C3)C[C@H]21	REAL300032813714	0	42	-1.0	-52.89	344.95	1.51	-51.38
O=C(C1=NSNC1=O)N1CCC[C@H]2CN(C(=O)C3=CN=CC([O-])=C3)C[C@H]21	REAL300032813714	1	42	-1.0	-52.89	344.95	1.51	-51.38
O=C(CC1=NC([O-])=CS1)N1C[C@@H]2CCCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300032813807	0	42	-1.0	-68.29	360.72	0.54	-67.75
CC1=CC(=O)C(C(=O)N2C[C@@H]3CCCN(C(=O)C4=NSNC4=O)[C@@H]3C2)=N[N-]1	REAL300032813913	0	44	-1.0	-51.27	360.13	4.59	-46.68
O=C(C1=NSNC1=O)N1CCC[C@H]2CN(C(=O)C3=CC=CC(=O)N3[O-])C[C@H]21	REAL300032813928	0	43	-1.0	-66.80	363.52	4.30	-62.50
CN1N=C(C(=O)N2C[C@@H]3CCCN(C(=O)C4=NSNC4=O)[C@@H]3C2)[N-]C1=O	REAL300032813974	0	42	-1.0	-57.73	351.39	0.91	-56.82
N#CC1=CC=C(C(=O)N2C[C@@H]3CCCN(C(=O)C4=NSNC4=O)[C@@H]3C2)C([O-])=C1	REAL300032814007	0	44	-1.0	-51.51	367.46	5.43	-46.08
N#CC1=CC=C([O-])C(C(=O)N2C[C@@H]3CCCN(C(=O)C4=NSNC4=O)[C@@H]3C2)=C1	REAL300032814013	0	44	-1.0	-51.83	370.00	5.12	-46.71
O=C(C1=NSNC1=O)N1CCC[C@H]2CN(C(=O)C3=CC=C(F)C([O-])=C3)C[C@H]21	REAL300032814103	1	43	-1.0	-61.13	352.58	3.70	-57.43
O=C(C1=NSNC1=O)N1CCC[C@H]2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C[C@H]21	REAL300032814153	0	41	-1.0	-51.25	347.44	-0.97	-52.22
O=C(C1=NSNC1=O)N1CCC[C@H]2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C[C@H]21	REAL300032814153	1	41	-1.0	-51.25	347.44	-0.97	-52.22
NC1=NC=C(C(=O)N2C[C@@H]3CCCN(C(=O)C4=NSNC4=O)[C@@H]3C2)C(=O)N1	REAL300032814189	0	43	-1.0	-68.46	356.73	0.65	-67.81
NC1=NC=C(C(=O)N2C[C@@H]3CCCN(C(=O)C4=NSNC4=O)[C@@H]3C2)C(=O)[N-]1	REAL300032814189	1	43	-1.0	-68.46	356.73	0.65	-67.81
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300032814277	0	39	-1.0	-53.66	328.06	0.60	-53.06
CC1SC(C(=O)N2C[C@@H]3CCCN(C(=O)C4=NSNC4=O)[C@@H]3C2)=NC1=O	REAL300032814293	0	42	-1.0	-59.74	360.88	1.30	-58.44
CC1=C([O-])N=C(C(=O)N2C[C@@H]3CCCN(C(=O)C4=NSNC4=O)[C@@H]3C2)S1	REAL300032814293	1	42	-1.0	-59.74	360.88	1.30	-58.44
O=C(C1=NSNC1=O)N1CCC[C@H]2CN(C(=O)C3=CC(=O)NC([O-])=C3)C[C@H]21	REAL300032814392	0	43	-1.0	-58.07	359.59	-0.78	-58.85
CCN1[N-]C(C(=O)N2C[C@@H]3CCCN(C(=O)C4=NSNC4=O)[C@@H]3C2)=CC1=O	REAL300032814434	0	46	-1.0	-51.85	377.61	3.11	-48.74
CN1[N-]C(C(=O)N2C[C@@H]3CCCN(C(=O)C4=NSNC4=O)[C@@H]3C2)=CC1=O	REAL300032814450	0	43	-1.0	-61.34	351.39	2.09	-59.25
O=C(CC1=CC(=O)NN1)N1C[C@@H]2CCCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300032814531	0	43	-1.0	-61.19	353.15	0.85	-60.34
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H]2CCCN(C(=O)C3=NSNC3=O)[C@@H]2C1	REAL300032814531	1	43	-1.0	-61.19	353.15	0.85	-60.34
O=C(C1=NSNC1=O)N1CCC[C@H]2CN(C(=O)C3=CC=C(O)C(F)=C3)C[C@H]21	REAL300032814535	0	43	-1.0	-56.28	352.53	3.74	-52.54
O=C(C1=NSNC1=O)N1CCC[C@H]2CN(C(=O)C3=CC=C([O-])C(F)=C3)C[C@H]21	REAL300032814535	1	43	-1.0	-56.28	352.53	3.74	-52.54
CC1=CN=C(C(=O)N2C[C@@H]3CCCN(C(=O)C4=NSNC4=O)[C@@H]3C2)C(O)=C1	REAL300032814597	0	45	-1.0	-70.31	362.28	4.69	-65.62
CC1=CN=C(C(=O)N2C[C@@H]3CCCN(C(=O)C4=NSNC4=O)[C@@H]3C2)C([O-])=C1	REAL300032814597	1	45	-1.0	-70.31	362.28	4.69	-65.62
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CN1[N-]C(C(=O)NCC2COCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300032842093	0	40	-1.0	-65.75	343.03	-1.06	-66.81
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N#CC1=CC([O-])=CC(C(=O)NC[C@H]2CCCCN2C(=O)C2=NSNC2=O)=C1	REAL300032847571	1	43	-1.0	-54.96	367.92	3.36	-51.60
CCC1=NC=C(C(=O)NC[C@H]2CCCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032847654	1	46	-1.0	-63.53	374.34	2.22	-61.31
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300032847672	1	38	-1.0	-60.11	324.29	-1.29	-61.40
O=C(C[N-]C(=O)C(F)(F)F)NC[C@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300032847739	0	41	-1.0	-61.29	360.15	-0.67	-61.96
NC1=NC([O-])=C(CC(=O)NC[C@H]2CCCCN2C(=O)C2=NSNC2=O)S1	REAL300032847740	0	43	-1.0	-76.85	370.36	-1.35	-78.20
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=C(F)C=C([O-])C=C1F	REAL300032847749	0	42	-1.0	-57.97	362.40	3.18	-54.79
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C([O-])C=C1F	REAL300032847764	1	42	-1.0	-63.82	351.61	3.06	-60.76
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC([O-])=CC(=O)O1	REAL300032847770	0	41	-1.0	-58.40	350.41	2.20	-56.20
N#CC1=CC=C(C(=O)NC[C@H]2CCCCN2C(=O)C2=NSNC2=O)C=C1[O-]	REAL300032847777	1	43	-1.0	-56.75	367.25	3.44	-53.31
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC(Cl)=NC=C1[O-]	REAL300032847780	0	41	-1.0	-69.30	357.08	3.24	-66.06
O=C(CN1N=CC(=O)[N-]C1=O)NC[C@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300032847796	0	43	-1.0	-66.89	365.04	-1.92	-68.81
O=C(CCC1=NC(=O)[N-]N1)NC[C@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300032847858	1	44	-1.0	-65.59	365.96	-0.89	-66.48
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=C[N-]N=CC1=O	REAL300032847874	0	40	-1.0	-55.19	334.30	1.60	-53.59
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CC(F)=C1[O-]	REAL300032847883	0	42	-1.0	-83.03	351.16	4.70	-78.33
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CC([O-])=C1F	REAL300032847969	1	42	-1.0	-77.50	351.48	3.08	-74.42
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300032848067	0	39	-1.0	-61.68	330.08	-0.54	-62.22
C[PH](C)([O-])C(=O)C(=O)NC[C@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300032848073	0	44	-1.0	-62.03	363.17	0.85	-61.18
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)N([O-])C=C1	REAL300032848160	0	42	-1.0	-75.11	353.10	3.51	-71.60
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=NC(=O)N[N-]1	REAL300032848184	0	38	-1.0	-60.02	324.68	-1.86	-61.88
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=C(O)C=CC=C1Cl	REAL300032848187	0	42	-1.0	-69.99	366.42	2.72	-67.27
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=C([O-])C=CC=C1Cl	REAL300032848187	1	42	-1.0	-69.99	366.42	2.72	-67.27
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CN([O-])C1=O	REAL300032848191	0	42	-1.0	-72.31	349.45	3.92	-68.39
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=C(F)C=CC(O)=C1F	REAL300032848220	0	42	-1.0	-68.06	363.18	2.91	-65.15
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=C(F)C=CC([O-])=C1F	REAL300032848220	1	42	-1.0	-68.06	363.18	2.91	-65.15
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC(F)=CC=C1O	REAL300032848355	0	42	-1.0	-73.24	351.35	4.70	-68.54
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC(F)=CC=C1[O-]	REAL300032848355	1	42	-1.0	-73.24	351.35	4.70	-68.54
CC1=CC=NC(C(=O)NC[C@H]2CCCCN2C(=O)C2=NSNC2=O)=C1O	REAL300032848418	0	44	-1.0	-77.83	361.51	3.84	-73.99
CC1=CC=NC(C(=O)NC[C@H]2CCCCN2C(=O)C2=NSNC2=O)=C1[O-]	REAL300032848418	1	44	-1.0	-77.83	361.51	3.84	-73.99
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CN=CC(O)=C1	REAL300032848522	0	41	-1.0	-66.48	342.12	1.20	-65.28
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CN=CC([O-])=C1	REAL300032848522	1	41	-1.0	-66.48	342.12	1.20	-65.28
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CC(=S)N1[O-]	REAL300032848532	0	42	-1.0	-97.60	361.31	5.59	-92.01
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C([O-])C(Cl)=N1	REAL300032848639	0	41	-1.0	-56.08	359.48	1.99	-54.09
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C(O)C=C1Cl	REAL300032848677	0	42	-1.0	-61.43	359.57	3.50	-57.93
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C([O-])C=C1Cl	REAL300032848677	1	42	-1.0	-61.43	359.57	3.50	-57.93
O=C(CC1=NC([O-])=CS1)NC[C@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300032848688	0	41	-1.0	-74.34	355.54	-0.48	-74.82
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=C(O)C=CC=C1F	REAL300032848703	0	42	-1.0	-72.81	355.61	3.10	-69.71
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=C([O-])C=CC=C1F	REAL300032848703	1	42	-1.0	-72.81	355.61	3.10	-69.71
O=C(CN1[N-]C(=O)C=CC1=O)NC[C@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300032848705	0	44	-1.0	-69.32	370.81	0.18	-69.14
O=C(CC1SC(=O)[N-]C1=O)NC[C@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300032848798	0	42	-1.0	-56.56	364.31	-1.39	-57.95
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C([O-])C(F)=C1F	REAL300032848823	0	42	-1.0	-65.45	357.70	3.17	-62.28
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CC(Cl)=C1[O-]	REAL300032848829	0	42	-1.0	-77.33	360.96	5.16	-72.17
CC1=CC(=O)C(C(=O)NC[C@H]2CCCCN2C(=O)C2=NSNC2=O)=N[N-]1	REAL300032848857	0	43	-1.0	-68.03	358.83	3.27	-64.76
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CC(=O)N1[O-]	REAL300032848882	0	42	-1.0	-95.34	350.19	4.56	-90.78
N#CC1=CC=C(C(=O)NC[C@H]2CCCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032848910	0	42	-1.0	-56.34	359.21	1.73	-54.61
CN1N=C(C(=O)NC[C@H]2CCCCN2C(=O)C2=NSNC2=O)[N-]C1=O	REAL300032848956	0	41	-1.0	-68.29	347.36	-0.32	-68.61
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=C(F)C=CC(O)=C1[O-]	REAL300032849005	1	43	-1.0	-74.75	367.54	1.01	-73.74
N#CC1=CC=C(C(=O)NC[C@H]2CCCCN2C(=O)C2=NSNC2=O)C([O-])=C1	REAL300032849006	0	43	-1.0	-73.39	365.71	5.00	-68.39
N#CC1=CC=C([O-])C(C(=O)NC[C@H]2CCCCN2C(=O)C2=NSNC2=O)=C1	REAL300032849014	0	43	-1.0	-68.82	365.75	5.02	-63.80
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CN([O-])C(=O)NC1=O	REAL300032849097	0	42	-1.0	-60.02	354.65	1.43	-58.59
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C(F)C([O-])=C1	REAL300032849148	1	42	-1.0	-61.20	353.32	3.06	-58.14
O=C([N-]C[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(F)(F)C(F)(F)F	REAL300032849158	1	37	-1.0	-58.54	330.69	2.14	-56.40
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C(Cl)C=C1[O-]	REAL300032849166	1	42	-1.0	-76.44	361.64	5.11	-71.33
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=NC(=O)[N-]C(=O)N1	REAL300032849233	0	40	-1.0	-56.50	342.90	-2.60	-59.10
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=NC(=O)NC(=O)[N-]1	REAL300032849233	1	40	-1.0	-56.50	342.90	-2.60	-59.10
NC1=NC=C(C(=O)NC[C@H]2CCCCN2C(=O)C2=NSNC2=O)C(=O)N1	REAL300032849287	0	42	-1.0	-63.75	347.65	0.58	-63.17
NC1=NC=C(C(=O)NC[C@H]2CCCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032849287	1	42	-1.0	-63.75	347.65	0.58	-63.17
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=NC=CC(Cl)=C1[O-]	REAL300032849371	0	41	-1.0	-73.11	357.37	3.67	-69.44
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=NC=C1O	REAL300032849418	0	41	-1.0	-76.48	340.22	2.81	-73.67
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=NC=C1[O-]	REAL300032849418	1	41	-1.0	-76.48	340.22	2.81	-73.67
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300032849424	0	38	-1.0	-63.49	323.87	0.19	-63.30
CC1SC(C(=O)NC[C@H]2CCCCN2C(=O)C2=NSNC2=O)=NC1=O	REAL300032849446	0	41	-1.0	-64.81	355.86	-0.20	-65.01
CC1=C([O-])N=C(C(=O)NC[C@H]2CCCCN2C(=O)C2=NSNC2=O)S1	REAL300032849446	1	41	-1.0	-64.81	355.86	-0.20	-65.01
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C(O)C=C1	REAL300032849538	0	44	-1.0	-61.48	366.34	3.01	-58.47
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C=C1	REAL300032849538	1	44	-1.0	-61.48	366.34	3.01	-58.47
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CN=C(C=N[O-])S1	REAL300032849557	0	41	-1.0	-68.41	365.47	1.03	-67.38
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)C=C(Cl)N1	REAL300032849578	0	41	-1.0	-58.07	360.25	2.74	-55.33
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300032849578	1	41	-1.0	-58.07	360.25	2.74	-55.33
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)NC([O-])=C1	REAL300032849598	0	42	-1.0	-56.74	353.33	-1.30	-58.04
CCN1[N-]C(C(=O)NC[C@H]2CCCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300032849655	0	45	-1.0	-65.81	374.63	2.09	-63.72
CN1[N-]C(C(=O)NC[C@H]2CCCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300032849674	0	42	-1.0	-64.69	352.85	1.18	-63.51
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300032849684	0	42	-1.0	-61.16	367.00	-0.73	-61.89
O=C(CC1=CC(=O)NN1)NC[C@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300032849811	0	42	-1.0	-69.04	350.69	0.07	-68.97
O=C(CC1=CC(=O)N[N-]1)NC[C@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300032849811	1	42	-1.0	-69.04	350.69	0.07	-68.97
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C(O)C(F)=C1	REAL300032849816	0	42	-1.0	-61.96	353.28	3.10	-58.86
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C([O-])C(F)=C1	REAL300032849816	1	42	-1.0	-61.96	353.28	3.10	-58.86
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC(F)=C([O-])C(F)=C1	REAL300032849862	0	42	-1.0	-62.30	359.45	3.14	-59.16
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=NC(Cl)=C1[O-]	REAL300032849867	0	41	-1.0	-73.81	356.40	3.26	-70.55
CC1=CN=C(C(=O)NC[C@H]2CCCCN2C(=O)C2=NSNC2=O)C(O)=C1	REAL300032849918	0	44	-1.0	-80.25	363.61	3.56	-76.69
CC1=CN=C(C(=O)NC[C@H]2CCCCN2C(=O)C2=NSNC2=O)C([O-])=C1	REAL300032849918	1	44	-1.0	-80.25	363.61	3.56	-76.69
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC([O-])=CS1	REAL300032849939	0	39	-1.0	-69.99	339.32	1.90	-68.09
O=C(NC[C@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CN([O-])C(=O)C=C1	REAL300032849955	0	42	-1.0	-74.40	351.76	3.77	-70.63
CN1[N-]C(C(=O)N2CCCC[C@@H]2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300032850093	0	42	-1.0	-57.36	351.34	1.61	-55.75
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@@H]1CNC(=O)C1=NSNC1=O	REAL300032850100	0	42	-1.0	-64.26	370.58	-1.33	-65.59
O=C(NC[C@H]1CCCCN1C(=O)C1=NC(=O)[N-]C(=O)N1)C1=NSNC1=O	REAL300032850224	0	40	-1.0	-53.77	343.00	-2.58	-56.35
O=C(NC[C@H]1CCCCN1C(=O)C1=NC(=O)NC(=O)[N-]1)C1=NSNC1=O	REAL300032850224	1	40	-1.0	-50.24	344.79	-2.37	-52.61
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCC[C@@H]1CNC(=O)C1=NSNC1=O	REAL300032850344	0	44	-1.0	-70.69	375.46	-0.69	-71.38
O=C(NC[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=NSNC1=O	REAL300032850350	0	38	-1.0	-60.12	323.52	-0.15	-60.27
O=C(NC[C@H]1CCCCN1C(=O)C1=CN([O-])C(=O)NC1=O)C1=NSNC1=O	REAL300032850359	0	42	-1.0	-55.85	358.88	0.78	-55.07
O=C(NC1(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCC1)C1=NSNC1=O	REAL300032850865	1	44	-1.0	-52.56	382.57	-0.05	-52.61
O=C(CCCN1C(=O)[N-]NC1=O)NCC1(NC(=O)C2=NSNC2=O)CCC1	REAL300032851504	0	45	-1.0	-62.98	394.72	-2.38	-65.36
O=C(CCC1=NNC(=O)[N-]C1=O)NCC1(NC(=O)C2=NSNC2=O)CCC1	REAL300032851720	0	43	-1.0	-59.76	381.99	-4.79	-64.55
CC(=O)[N-]C1=NC(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCC2)=CS1	REAL300032851721	1	41	-1.0	-49.76	376.22	-1.28	-51.04
O=C(CCN1C=C[N-]C(=O)C1=O)NCC1(NC(=O)C2=NSNC2=O)CCC1	REAL300032851879	1	44	-1.0	-62.06	387.74	-0.65	-62.71
COC1=C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCC2)NC(=O)[N-]C1=O	REAL300032851988	1	42	-1.0	-57.07	371.38	-3.91	-60.98
O=C(NC1(CNC(=O)C2=NNC(=O)[N-]C2=O)CCC1)C1=NSNC1=O	REAL300032852102	0	37	-1.0	-59.69	338.09	-5.23	-64.92
O=C(CN1C(=O)[N-]NC1=O)NCC1(NC(=O)C2=NSNC2=O)CCC1	REAL300032852219	0	39	-1.0	-64.22	351.85	-3.27	-67.49
O=C(NC1(CNC(=O)C2=CC=CC(=O)N2[O-])CCC1)C1=NSNC1=O	REAL300032854000	0	39	-1.0	-58.90	345.39	0.87	-58.03
O=C(C[N-]C(=O)C(F)(F)F)NCC1(NC(=O)C2=NSNC2=O)CCC1	REAL300032854170	0	38	-1.0	-54.96	356.31	-2.97	-57.93
NC1=NC([O-])=C(CC(=O)NCC2(NC(=O)C3=NSNC3=O)CCC2)S1	REAL300032854171	0	40	-1.0	-80.27	367.36	-3.71	-83.98
O=C(CC1=NC([O-])=CS1)NCC1(NC(=O)C2=NSNC2=O)CCC1	REAL300032854231	0	38	-1.0	-78.23	352.61	-2.92	-81.15
CCC1=NC=C(C(=O)NCC2(NC(=O)C3=NSNC3=O)CCC2)C(=O)[N-]1	REAL300032854256	1	43	-1.0	-51.44	371.78	-0.62	-52.06
O=C(CN1N=CC(=O)[N-]C1=O)NCC1(NC(=O)C2=NSNC2=O)CCC1	REAL300032854268	0	40	-1.0	-70.99	362.05	-4.29	-75.28
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O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CC=C(O)C=C1Cl	REAL300032866660	0	40	-1.0	-57.11	359.65	0.82	-56.29
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CC=C([O-])C=C1Cl	REAL300032866660	1	40	-1.0	-57.11	359.65	0.82	-56.29
O=C(CC1=NC([O-])=CS1)NCC1CN(C(=O)C2=NSNC2=O)CCO1	REAL300032866671	0	39	-1.0	-74.72	356.71	-3.30	-78.02
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=C(O)C=CC=C1F	REAL300032866686	0	40	-1.0	-62.97	356.83	0.17	-62.80
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=C([O-])C=CC=C1F	REAL300032866686	1	40	-1.0	-62.97	356.83	0.17	-62.80
O=C(CN1[N-]C(=O)C=CC1=O)NCC1CN(C(=O)C2=NSNC2=O)CCO1	REAL300032866687	0	42	-1.0	-61.10	371.98	-2.64	-63.74
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CC=CC(Cl)=C1[O-]	REAL300032866806	0	40	-1.0	-67.40	360.96	2.37	-65.03
CC1=CC(=O)C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCO2)=N[N-]1	REAL300032866834	0	41	-1.0	-57.75	358.90	0.57	-57.18
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CC=CC(=O)N1[O-]	REAL300032866858	0	40	-1.0	-85.87	350.61	1.79	-84.08
N#CC1=CC=C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCO2)C(=O)[N-]1	REAL300032866882	0	40	-1.0	-48.49	360.52	-1.25	-49.74
CN1N=C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCO2)[N-]C1=O	REAL300032866924	0	39	-1.0	-60.59	347.43	-3.12	-63.71
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=C(F)C=CC(O)=C1[O-]	REAL300032866970	1	41	-1.0	-63.55	367.57	-1.76	-65.31
N#CC1=CC=C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCO2)C([O-])=C1	REAL300032866971	0	41	-1.0	-64.28	365.79	2.32	-61.96
N#CC1=CC=C([O-])C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCO2)=C1	REAL300032866979	0	41	-1.0	-60.52	365.76	2.26	-58.26
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CN([O-])C(=O)NC1=O	REAL300032867059	0	40	-1.0	-55.24	356.01	-1.57	-56.81
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CC=C(F)C([O-])=C1	REAL300032867110	1	40	-1.0	-57.45	353.31	0.26	-57.19
O=C([N-]CC1CN(C(=O)C2=NSNC2=O)CCO1)C(F)(F)C(F)(F)F	REAL300032867120	0	35	-1.0	-50.52	331.65	-0.90	-51.42
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CC=C(Cl)C=C1[O-]	REAL300032867128	1	40	-1.0	-66.42	361.72	2.44	-63.98
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=NC(=O)[N-]C(=O)N1	REAL300032867191	0	38	-1.0	-50.42	343.88	-5.62	-56.04
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=NC(=O)NC(=O)[N-]1	REAL300032867191	1	38	-1.0	-50.42	343.88	-5.62	-56.04
NC1=NC=C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCO2)C(=O)N1	REAL300032867245	0	40	-1.0	-53.80	348.64	-2.35	-56.15
NC1=NC=C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCO2)C(=O)[N-]1	REAL300032867245	1	40	-1.0	-53.80	348.64	-2.35	-56.15
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=NC=CC(Cl)=C1[O-]	REAL300032867326	0	39	-1.0	-63.29	358.35	0.65	-62.64
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CC=NC=C1O	REAL300032867372	0	39	-1.0	-66.45	340.29	0.11	-66.34
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CC=NC=C1[O-]	REAL300032867372	1	39	-1.0	-66.45	340.29	0.11	-66.34
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CC(=O)[N-]O1	REAL300032867378	0	36	-1.0	-57.95	324.85	-2.83	-60.78
CC1SC(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCO2)=NC1=O	REAL300032867400	0	39	-1.0	-59.55	356.65	-3.19	-62.74
CC1=C([O-])N=C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCO2)S1	REAL300032867400	1	39	-1.0	-59.55	356.65	-3.19	-62.74
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C(=O)C1=CC=C(O)C=C1	REAL300032867488	0	42	-1.0	-57.27	367.44	0.06	-57.21
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C(=O)C1=CC=C([O-])C=C1	REAL300032867488	1	42	-1.0	-57.27	367.44	0.06	-57.21
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CN=C(C=N[O-])S1	REAL300032867505	0	39	-1.0	-66.89	365.48	-1.73	-68.62
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CC(=O)C=C(Cl)N1	REAL300032867524	0	39	-1.0	-51.04	360.26	-0.02	-51.06
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CC(=O)C=C(Cl)[N-]1	REAL300032867524	1	39	-1.0	-51.04	360.26	-0.02	-51.06
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CC(=O)NC([O-])=C1	REAL300032867544	0	40	-1.0	-52.90	353.28	-4.06	-56.96
CCN1[N-]C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCO2)=CC1=O	REAL300032867600	0	43	-1.0	-57.75	374.65	-0.67	-58.42
CN1[N-]C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCO2)=CC1=O	REAL300032867617	0	40	-1.0	-56.82	353.00	-1.52	-58.34
O=C(CC1=CC(=O)NN1)NCC1CN(C(=O)C2=NSNC2=O)CCO1	REAL300032867747	0	40	-1.0	-63.66	350.86	-2.57	-66.23
O=C(CC1=CC(=O)N[N-]1)NCC1CN(C(=O)C2=NSNC2=O)CCO1	REAL300032867747	1	40	-1.0	-63.66	350.86	-2.57	-66.23
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CC=C(O)C(F)=C1	REAL300032867752	0	40	-1.0	-58.26	353.28	0.29	-57.97
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CC=C([O-])C(F)=C1	REAL300032867752	1	40	-1.0	-58.26	353.28	0.29	-57.97
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CC=NC(Cl)=C1[O-]	REAL300032867799	0	39	-1.0	-64.89	356.39	0.48	-64.41
CC1=CN=C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCO2)C(O)=C1	REAL300032867849	0	42	-1.0	-68.57	363.60	0.77	-67.80
CC1=CN=C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCO2)C([O-])=C1	REAL300032867849	1	42	-1.0	-68.57	363.60	0.77	-67.80
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CC([O-])=CS1	REAL300032867868	0	37	-1.0	-63.94	339.34	-0.86	-64.80
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCO1)C1=CN([O-])C(=O)C=C1	REAL300032867884	0	40	-1.0	-71.61	352.74	0.76	-70.85
CN1[N-]C(C(=O)N2CCOC(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032868027	0	40	-1.0	-54.47	353.00	-1.56	-56.03
O=C(NCC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCO1)C1=NSNC1=O	REAL300032868178	0	38	-1.0	-52.16	343.54	-5.68	-57.84
O=C(NCC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCO1)C1=NSNC1=O	REAL300032868178	1	38	-1.0	-46.75	343.79	-4.85	-51.60
O=C(CN1[N-]C(=O)C=CC1=O)N1CCOC(CNC(=O)C2=NSNC2=O)C1	REAL300032868314	0	42	-1.0	-59.74	375.08	-2.99	-62.73
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C1=NSNC1=O	REAL300032868321	0	36	-1.0	-57.37	325.20	-3.18	-60.55
O=C(NCC1CN(C(=O)C2=CN([O-])C(=O)NC2=O)CCO1)C1=NSNC1=O	REAL300032868332	0	40	-1.0	-55.15	365.27	-2.24	-57.39
O=C(C1=COC(=O)[N-]1)N1CCC(N2CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300032868707	1	44	-1.0	-53.85	366.89	-1.26	-55.11
O=C(C1=CC(=O)N[N-]1)N1CCC(N2CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300032868789	0	45	-1.0	-55.64	371.76	-1.01	-56.65
O=C(C1=NNC(=O)[N-]1)N1CCC(N2CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300032868860	0	44	-1.0	-56.93	366.71	-2.47	-59.40
O=C(C1=NSNC1=O)N1CCC(N2CCN(C(=O)C3=COC(=O)[N-]3)CC2)C1	REAL300032869213	1	44	-1.0	-51.74	366.84	-0.84	-52.58
O=C(C1=NSNC1=O)N1CCC(N2CCN(C(=O)C3=CC(=O)N[N-]3)CC2)C1	REAL300032869267	0	45	-1.0	-56.09	371.70	-0.91	-57.00
O=C(C1=NSNC1=O)N1CCC(N2CCN(C(=O)C3=NC(=O)N[N-]3)CC2)C1	REAL300032869280	0	44	-1.0	-55.30	366.15	-1.50	-56.80
O=C(C1=NSNC1=O)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300032869429	0	44	-1.0	-58.15	366.41	-0.95	-59.10
O=C(C1=CC(=O)[N-]O1)N1CCC(N2CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300032869591	0	44	-1.0	-59.05	366.82	-0.83	-59.88
O=C(NC1CCCN(C(=O)C2=NSNC2=O)CC1)C1=NNC(=O)[N-]C1=O	REAL300032870743	0	40	-1.0	-52.62	341.45	-2.61	-55.23
O=C(CN1C(=O)[N-]NC1=O)NC1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300032870827	0	42	-1.0	-70.48	355.65	-0.77	-71.25
O=C(NC1CCCN(C(=O)C2=NSNC2=O)CC1)C1=CN([O-])C(=O)C=C1	REAL300032871418	0	42	-1.0	-80.31	352.67	3.72	-76.59
O=C(NC1CCCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)NC([O-])=C1	REAL300032871532	0	42	-1.0	-59.40	353.09	-1.21	-60.61
O=C(NC1CCCN(C(=O)C2=NSNC2=O)CC1)C1=COC(=O)[N-]1	REAL300032871543	1	38	-1.0	-57.61	325.16	-1.37	-58.98
O=C([N-]C1CCCN(C(=O)C2=NSNC2=O)CC1)C(F)(F)C(F)(F)F	REAL300032871633	1	37	-1.0	-53.21	329.17	1.78	-51.43
CCN1[N-]C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032871713	0	45	-1.0	-64.61	374.54	2.27	-62.34
O=C(CC1=CC(=O)N[N-]1)NC1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300032871721	1	42	-1.0	-73.70	350.65	0.25	-73.45
O=C(NC1CCCN(C(=O)C2=NSNC2=O)CC1)C1=CC=CC(=S)N1[O-]	REAL300032871739	0	42	-1.0	-103.66	361.23	5.75	-97.91
O=C(CC1SC(=O)[N-]C1=O)NC1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300032871748	0	42	-1.0	-47.49	362.68	-1.28	-48.77
CN1N=C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300032871764	0	41	-1.0	-68.01	347.31	-0.19	-68.20
O=C(NC1CCCN(C(=O)C2=NSNC2=O)CC1)C1=C[N-]N=CC1=O	REAL300032871853	0	40	-1.0	-51.41	334.21	1.78	-49.63
O=C(NC1CCCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)N[N-]1	REAL300032871952	0	39	-1.0	-60.75	329.99	-0.37	-61.12
C[PH](C)([O-])C(=O)C(=O)NC1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300032871957	0	44	-1.0	-48.18	362.68	0.94	-47.24
CN1[N-]C(CC(=O)NC2CCCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032871960	0	45	-1.0	-76.08	373.49	1.98	-74.10
O=C(NC1CCCN(C(=O)C2=NSNC2=O)CC1)C1=CC=CN([O-])C1=O	REAL300032871988	0	42	-1.0	-66.26	351.14	3.77	-62.49
CC1=C([O-])N=C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)CC2)S1	REAL300032872016	1	41	-1.0	-56.15	356.67	-0.39	-56.54
O=C(NC1CCCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)C=C(Cl)[N-]1	REAL300032872030	1	41	-1.0	-57.61	360.14	2.91	-54.70
O=C(NC1CCCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)N([O-])C=C1	REAL300032872047	0	42	-1.0	-80.12	352.99	3.69	-76.43
O=C(NC1CCCN(C(=O)C2=NSNC2=O)CC1)C1=CC=CC(=O)N1[O-]	REAL300032872080	0	42	-1.0	-100.18	351.22	4.61	-95.57
O=C(C[N-]C(=O)C(F)(F)F)NC1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300032872202	0	41	-1.0	-62.02	361.08	-0.59	-62.61
NC1=NC([O-])=C(CC(=O)NC2CCCN(C(=O)C3=NSNC3=O)CC2)S1	REAL300032872203	0	43	-1.0	-81.86	371.32	-1.33	-83.19
O=C(CC1=NC([O-])=CS1)NC1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300032872248	0	41	-1.0	-84.60	356.51	-0.46	-85.06
CCC1=NC=C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300032872266	1	46	-1.0	-56.95	376.20	2.05	-54.90
O=C(CN1N=CC(=O)[N-]C1=O)NC1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300032872275	0	43	-1.0	-74.94	366.01	-1.89	-76.83
CC1=CC(=O)C(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300032872477	0	43	-1.0	-50.53	358.65	3.27	-47.26
O=C(NC1CCCN(C(=O)C2=NSNC2=O)CC1)C1=NNC(=O)[N-]1	REAL300032872492	0	38	-1.0	-51.29	323.39	-1.88	-53.17
O=C(NC1CCCN(C(=O)C2=NSNC2=O)CC1)C1=CN=C(C=N[O-])S1	REAL300032872603	0	41	-1.0	-72.97	365.37	1.21	-71.76
COC1=NC(C(=O)NC2CCCN(C(=O)C3=NSNC3=O)CC2)=CC(=O)[N-]1	REAL300032872616	0	44	-1.0	-52.79	369.62	-2.40	-55.19
O=C(NC1CCCN(C(=O)C2=NC=CC=C2[O-])CC1)C1=NSNC1=O	REAL300032872872	1	41	-1.0	-79.78	341.80	3.52	-76.26
O=C(NC1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1)C1=NSNC1=O	REAL300032872995	0	40	-1.0	-57.05	342.00	-2.65	-59.70
O=C(CN1C(=O)[N-]NC1=O)N1CCCC(NC(=O)C2=NSNC2=O)CC1	REAL300032873155	0	42	-1.0	-59.24	360.87	-1.28	-60.52
O=C(NC1CCCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC1)C1=NSNC1=O	REAL300032874474	1	42	-1.0	-59.85	363.41	2.80	-57.05
N#CC1=CC([O-])=CC(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)CC2)=C1	REAL300032874499	1	43	-1.0	-57.46	366.40	2.50	-54.96
CCC1=NC=C(C(=O)N2CCCC(NC(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300032874582	1	46	-1.0	-59.50	383.01	1.11	-58.39
O=C(NC1CCCN(C(=O)C2=COC(=O)[N-]2)CC1)C1=NSNC1=O	REAL300032874600	1	38	-1.0	-55.23	325.31	-0.22	-55.45
O=C(C[N-]C(=O)C(F)(F)F)N1CCCC(NC(=O)C2=NSNC2=O)CC1	REAL300032874667	0	41	-1.0	-51.74	365.28	-1.02	-52.76
NC1=NC([O-])=C(CC(=O)N2CCCC(NC(=O)C3=NSNC3=O)CC2)S1	REAL300032874668	0	43	-1.0	-70.21	376.52	-1.78	-71.99
O=C(NC1CCCN(C(=O)C2=C(F)C=C([O-])C=C2F)CC1)C1=NSNC1=O	REAL300032874677	0	42	-1.0	-50.47	368.79	2.63	-47.84
O=C(NC1CCCN(C(=O)C2=CC=C([O-])C=C2F)CC1)C1=NSNC1=O	REAL300032874692	1	42	-1.0	-56.66	352.53	2.18	-54.48
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COC1=C(C(=O)N(C)CCCN(C)C(=O)C2=NSNC2=O)NC(=O)[N-]C1=O	REAL300032882049	1	44	-1.0	-65.44	390.14	-1.79	-67.23
CN(CCCN(C)C(=O)C1=NSNC1=O)C(=O)CN1C(=O)[N-]NC1=O	REAL300032882213	0	41	-1.0	-58.46	364.10	-0.17	-58.63
CN(CCCN(C)C(=O)C1=NSNC1=O)C(=O)CCCN1C(=O)[N-]NC1=O	REAL300032883155	0	47	-1.0	-71.57	406.90	1.08	-70.49
CN(CCCN(C)C(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300032883348	1	46	-1.0	-76.55	401.50	2.95	-73.60
COCC1=NC=C(C(=O)N(C)CCCN(C)C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032884973	1	46	-1.0	-64.87	399.49	0.61	-64.26
CN(CCCN(C)C(=O)C1=CC(F)=CC(F)=C1[O-])C(=O)C1=NSNC1=O	REAL300032885001	0	41	-1.0	-79.97	362.45	5.08	-74.89
CN(CCCN(C)C(=O)C1=CC(=O)N([O-])C=C1)C(=O)C1=NSNC1=O	REAL300032885031	0	41	-1.0	-83.09	357.55	4.02	-79.07
CN(CCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)N[N-]1	REAL300032885065	0	37	-1.0	-62.18	331.12	-0.18	-62.36
CN(CCCN(C)C(=O)C1=C([O-])C=CC=C1Cl)C(=O)C1=NSNC1=O	REAL300032885070	1	41	-1.0	-61.87	374.87	4.10	-57.77
CN(CCCN(C)C(=O)C1=CC=CN([O-])C1=O)C(=O)C1=NSNC1=O	REAL300032885078	0	41	-1.0	-91.80	365.66	4.16	-87.64
CN(CCCN(C)C(=O)C1=C(F)C=CC([O-])=C1F)C(=O)C1=NSNC1=O	REAL300032885111	1	41	-1.0	-70.17	372.02	3.70	-66.47
CN(CCCN(C)C(=O)C1=NC(N)=CC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300032885224	0	41	-1.0	-61.75	359.56	0.36	-61.39
CN(CCCN(C)C(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)C1=NSNC1=O	REAL300032885293	0	41	-1.0	-64.28	367.66	4.03	-60.25
CN(CCCN(C)C(=O)C1=CC(F)=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300032885300	1	41	-1.0	-60.16	359.96	4.33	-55.83
CC1=CC=NC(C(=O)N(C)CCCN(C)C(=O)C2=NSNC2=O)=C1[O-]	REAL300032885389	1	43	-1.0	-81.05	368.42	5.01	-76.04
CN(CCCN(C)C(=O)C1=CN=CC([O-])=C1)C(=O)C1=NSNC1=O	REAL300032885554	1	40	-1.0	-73.44	346.66	1.59	-71.85
CN(CCCN(C)C(=O)C1=CC=CC(=S)N1[O-])C(=O)C1=NSNC1=O	REAL300032885567	0	41	-1.0	-93.94	376.79	4.57	-89.37
CN(CCCN(C)C(=O)C1=CC(N)=C(Cl)C([O-])=C1)C(=O)C1=NSNC1=O	REAL300032885716	1	43	-1.0	-62.52	380.39	1.94	-60.58
CN(CCCN(C)C(=O)C1=CC=C([O-])C(Cl)=N1)C(=O)C1=NSNC1=O	REAL300032885721	0	40	-1.0	-58.12	366.19	3.16	-54.96
CN(CCCN(C)C(=O)C1=CC=C([O-])C=C1Cl)C(=O)C1=NSNC1=O	REAL300032885782	1	41	-1.0	-67.40	364.65	3.98	-63.42
CN(CCCN(C)C(=O)C1=CC(C#N)=C(N)C=C1[O-])C(=O)C1=NSNC1=O	REAL300032885785	0	44	-1.0	-59.23	387.28	2.62	-56.61
CN(CCCN(C)C(=O)C1=NSNC1=O)C(=O)CC1=NC([O-])=CS1	REAL300032885797	0	40	-1.0	-88.49	365.21	0.21	-88.28
CN(CCCN(C)C(=O)C1=C([O-])C=CC=C1F)C(=O)C1=NSNC1=O	REAL300032885818	1	41	-1.0	-62.61	365.38	3.72	-58.89
CN(CCCN(C)C(=O)C1=NSNC1=O)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300032885821	0	43	-1.0	-74.21	380.49	0.83	-73.38
CN(CCCN(C)C(=O)C1=CC=C(F)C=C1[O-])C(=O)C1=NSNC1=O	REAL300032885823	0	41	-1.0	-83.60	356.23	5.00	-78.60
CC1=CC=C(F)C([O-])=C1C(=O)N(C)CCCN(C)C(=O)C1=NSNC1=O	REAL300032885870	0	44	-1.0	-76.35	385.09	4.28	-72.07
CN(CCCN(C)C(=O)C1=NSNC1=O)C(=O)CC1SC(=O)[N-]C1=O	REAL300032885956	0	41	-1.0	-51.89	372.21	-0.58	-52.47
CN(CCCN(C)C(=O)C1=NSNC1=O)C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300032887020	1	43	-1.0	-55.69	382.09	3.49	-52.20
CN(CCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CN=C(C=N[O-])S1	REAL300032887054	0	40	-1.0	-68.13	369.41	1.40	-66.73
CN(CCCN(C)C(=O)C1=CC(=O)C=C(Cl)[N-]1)C(=O)C1=NSNC1=O	REAL300032887085	1	40	-1.0	-50.15	366.20	4.14	-46.01
CSC1=NC=C(C(=O)N(C)CCCN(C)C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032887110	1	43	-1.0	-64.31	387.86	1.88	-62.43
CN(CCCN(C)C(=O)C1=CC(=O)NC([O-])=C1)C(=O)C1=NSNC1=O	REAL300032887117	0	41	-1.0	-62.87	357.71	-0.90	-63.77
CCN1[N-]C(C(=O)N(C)CCCN(C)C(=O)C2=NSNC2=O)=CC1=O	REAL300032887192	0	44	-1.0	-68.75	380.89	3.19	-65.56
CN(CCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(C)[N-]1	REAL300032887214	0	41	-1.0	-67.84	359.16	2.26	-65.58
CN(CCCN(C)C(=O)C1=NSNC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300032887230	0	41	-1.0	-67.60	375.42	0.14	-67.46
CC1=C(C(=O)N(C)CCCN(C)C(=O)C2=NSNC2=O)C(=S)[N-]C(=O)N1	REAL300032887232	1	43	-1.0	-80.29	389.30	1.59	-78.70
CN(CCCN(C)C(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300032887402	1	41	-1.0	-76.90	359.37	0.92	-75.98
CN(CCCN(C)C(=O)C1=CC=C([O-])C(F)=C1)C(=O)C1=NSNC1=O	REAL300032887408	1	41	-1.0	-67.39	357.85	3.55	-63.84
CN(CCCN(C)C(=O)C1=CC(F)=C([O-])C(F)=C1)C(=O)C1=NSNC1=O	REAL300032887467	0	41	-1.0	-68.59	364.08	3.63	-64.96
CN(CCCN(C)C(=O)C1=CC=NC(Cl)=C1[O-])C(=O)C1=NSNC1=O	REAL300032887473	0	40	-1.0	-60.82	364.82	2.79	-58.03
CC1=C(CC(=O)N(C)CCCN(C)C(=O)C2=NSNC2=O)C(=O)N(C)[N-]1	REAL300032887493	0	47	-1.0	-62.79	401.91	3.32	-59.47
CC1=CN=C(C(=O)N(C)CCCN(C)C(=O)C2=NSNC2=O)C([O-])=C1	REAL300032887539	1	43	-1.0	-83.09	369.55	4.97	-78.12
CN(CCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC([O-])=CS1	REAL300032887570	0	38	-1.0	-78.78	343.02	2.30	-76.48
CN(CCCN(C)C(=O)C1=CN([O-])C(=O)C=C1)C(=O)C1=NSNC1=O	REAL300032887591	0	41	-1.0	-67.59	366.09	4.19	-63.40
CN(CCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(C)[N-]1	REAL300032887818	0	41	-1.0	-67.84	359.16	2.26	-65.58
CN(CCCN(C)C(=O)C1=NSNC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300032887829	0	41	-1.0	-67.60	375.42	0.14	-67.46
CC1=C(C(=O)N(C)CCCN(C)C(=O)C2=NSNC2=O)C(=S)[N-]C(=O)N1	REAL300032887830	1	43	-1.0	-80.29	389.30	1.59	-78.70
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=NNC(=O)[N-]C1=O)CCO2	REAL300032889932	0	39	-1.0	-62.32	344.80	-4.04	-66.36
O=C(CN1C(=O)[N-]NC1=O)N1CCOC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300032889981	0	41	-1.0	-56.33	361.75	-2.60	-58.93
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CN([O-])C(=O)C=C1)CCO2	REAL300032890327	0	41	-1.0	-64.91	364.50	1.89	-63.02
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)NC([O-])=C1)CCO2	REAL300032890402	0	41	-1.0	-48.47	364.84	-3.01	-51.48
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=COC(=O)[N-]1)CCO2	REAL300032890413	1	37	-1.0	-61.07	329.02	-1.67	-62.74
CCN1[N-]C(C(=O)N2CCOC3(CN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300032890518	0	44	-1.0	-51.93	378.82	0.90	-51.03
O=C(CC1=CC(=O)N[N-]1)N1CCOC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300032890525	1	41	-1.0	-71.95	358.26	-1.37	-73.32
CN1N=C(C(=O)N2CCOC3(CN(C(=O)C4=NSNC4=O)C3)C2)[N-]C1=O	REAL300032890544	0	40	-1.0	-53.39	351.37	-1.58	-54.97
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=C[N-]N=CC1=O)CCO2	REAL300032890596	0	39	-1.0	-45.11	342.18	-0.47	-45.58
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)N[N-]1)CCO2	REAL300032890654	0	38	-1.0	-48.85	333.83	-1.77	-50.62
C[PH](C)([O-])C(=O)C(=O)N1CCOC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300032890659	0	43	-1.0	-54.82	372.21	-0.88	-55.70
O=C(CCC1=NC(=O)NN1)N1CCOC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300032890677	0	43	-1.0	-62.09	372.04	-2.46	-64.55
O=C(CCC1=NC(=O)[N-]N1)N1CCOC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300032890677	1	43	-1.0	-62.09	372.04	-2.46	-64.55
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=CN([O-])C1=O)CCO2	REAL300032890679	0	41	-1.0	-69.36	362.72	1.72	-67.64
CC1SC(C(=O)N2CCOC3(CN(C(=O)C4=NSNC4=O)C3)C2)=NC1=O	REAL300032890698	0	40	-1.0	-63.04	361.19	-0.95	-63.99
CC1=C([O-])N=C(C(=O)N2CCOC3(CN(C(=O)C4=NSNC4=O)C3)C2)S1	REAL300032890698	1	40	-1.0	-63.04	361.19	-0.95	-63.99
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)N([O-])C=C1)CCO2	REAL300032890713	0	41	-1.0	-65.41	364.74	1.91	-63.50
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=CC(=O)N1[O-])CCO2	REAL300032890735	0	41	-1.0	-76.83	357.92	2.18	-74.65
O=C(CC1=NC([O-])=CS1)N1CCOC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300032890837	0	40	-1.0	-84.51	364.11	-2.08	-86.59
CC1=CC(=O)C(C(=O)N2CCOC3(CN(C(=O)C4=NSNC4=O)C3)C2)=N[N-]1	REAL300032890976	0	42	-1.0	-51.73	362.81	1.94	-49.79
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=NC(=O)N[N-]1)CCO2	REAL300032890986	0	37	-1.0	-53.78	328.96	-2.38	-56.16
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300032891321	1	40	-1.0	-53.92	345.84	1.77	-52.15
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300032891410	0	39	-1.0	-49.29	345.44	-3.88	-53.17
O=C(CN1C(=O)[N-]NC1=O)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300032891497	0	41	-1.0	-52.23	362.23	-2.29	-54.52
O=C(C1=COC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300032892293	1	37	-1.0	-49.30	329.33	-2.38	-51.68
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=CC=C([O-])C=C3F)C2)C1	REAL300032892355	1	41	-1.0	-49.61	356.33	1.35	-48.26
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=CC([O-])=CC(=O)O3)C2)C1	REAL300032892358	0	40	-1.0	-47.05	354.92	0.75	-46.30
CC1=CC=C([O-])C(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)CCO3)=N1	REAL300032892405	1	43	-1.0	-58.73	368.19	2.37	-56.36
O=C(CCC1=NC(=O)[N-]N1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300032892406	1	43	-1.0	-64.90	371.51	-2.37	-67.27
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300032892415	0	39	-1.0	-46.31	337.80	0.92	-45.39
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=CC=CC(F)=C3[O-])C2)C1	REAL300032892422	0	41	-1.0	-58.52	355.89	2.88	-55.64
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=CC=CC([O-])=C3F)C2)C1	REAL300032892477	1	41	-1.0	-58.97	356.19	1.34	-57.63
O=C(C1=CC(=O)N[N-]1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300032892542	0	38	-1.0	-45.96	334.17	-1.82	-47.78
C[PH](C)([O-])C(=O)C(=O)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300032892547	0	43	-1.0	-53.97	366.33	-0.82	-54.79
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=CC(=O)N([O-])C=C3)C2)C1	REAL300032892593	0	41	-1.0	-63.13	355.17	1.75	-61.38
O=C(C1=NC(=O)N[N-]1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300032892608	0	37	-1.0	-48.06	328.90	-2.84	-50.90
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=CC=CN([O-])C3=O)C2)C1	REAL300032892612	0	41	-1.0	-71.05	362.92	2.06	-68.99
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=CC(F)=CC=C3O)C2)C1	REAL300032892709	0	41	-1.0	-50.37	356.70	2.77	-47.60
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=CC(F)=CC=C3[O-])C2)C1	REAL300032892709	1	41	-1.0	-50.37	356.70	2.77	-47.60
CC1=CC=NC(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)CCO3)=C1O	REAL300032892750	0	43	-1.0	-57.68	366.91	2.47	-55.21
CC1=CC=NC(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)CCO3)=C1[O-]	REAL300032892750	1	43	-1.0	-57.68	366.91	2.47	-55.21
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=CN=CC(O)=C3)C2)C1	REAL300032892805	0	40	-1.0	-52.47	344.22	-0.59	-53.06
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=CN=CC([O-])=C3)C2)C1	REAL300032892805	1	40	-1.0	-52.47	344.22	-0.59	-53.06
O=C(CC1=NC([O-])=CS1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300032892884	0	40	-1.0	-71.26	361.80	-2.09	-73.35
CC1=CC(=O)C(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)CCO3)=N[N-]1	REAL300032892980	0	42	-1.0	-59.36	361.90	1.88	-57.48
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=CC=CC(=O)N3[O-])C2)C1	REAL300032892995	0	41	-1.0	-69.40	351.97	2.77	-66.63
CN1N=C(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)CCO3)[N-]C1=O	REAL300032893037	0	40	-1.0	-51.18	351.62	-1.62	-52.80
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=CC=C(F)C([O-])=C3)C2)C1	REAL300032893152	1	41	-1.0	-56.31	355.46	1.25	-55.06
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300032893199	0	39	-1.0	-50.96	346.78	-4.01	-54.97
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NC1=NC=C(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)CCO3)C(=O)N1	REAL300032893234	0	41	-1.0	-55.63	361.08	-1.39	-57.02
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CCC1(NC(=O)C2=NN(C)C(=O)[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032904841	0	44	-1.0	-61.31	360.31	0.27	-61.04
CCC1(NC(=O)C2=CC=C(F)C(O)=C2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032904939	0	45	-1.0	-54.23	366.61	3.70	-50.53
CCC1(NC(=O)C2=CC=C(F)C([O-])=C2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032904939	1	45	-1.0	-54.23	366.61	3.70	-50.53
CCC1(NC(=O)C2=NC(=O)[N-]C(=O)N2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032904977	0	43	-1.0	-46.27	356.39	-2.28	-48.55
CCC1(NC(=O)C2=NC(=O)NC(=O)[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032904977	1	43	-1.0	-46.27	356.39	-2.28	-48.55
CCC1(NC(=O)C2=CN=C(N)NC2=O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032905005	0	45	-1.0	-48.59	361.69	1.03	-47.56
CCC1(NC(=O)C2=CN=C(N)[N-]C2=O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032905005	1	45	-1.0	-48.59	361.69	1.03	-47.56
CCC1(NC(=O)C2=CC=NC=C2O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032905070	0	44	-1.0	-68.05	353.10	3.23	-64.82
CCC1(NC(=O)C2=CC=NC=C2[O-])CCN(C(=O)C2=NSNC2=O)CC1	REAL300032905070	1	44	-1.0	-68.05	353.10	3.23	-64.82
CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032905075	0	41	-1.0	-53.65	338.15	0.61	-53.04
CCC1(NC(=O)C2=NC(=O)C(C)S2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032905087	0	44	-1.0	-57.99	369.75	0.17	-57.82
CCC1(NC(=O)C2=NC([O-])=C(C)S2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032905087	1	44	-1.0	-57.99	369.75	0.17	-57.82
CCN1[N-]C(C(=O)NC2(CC)CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032905204	0	48	-1.0	-51.89	387.95	2.77	-49.12
CCC1(NC(=O)C2=CC(=O)N(C)[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032905216	0	45	-1.0	-57.12	365.73	1.76	-55.36
CCC1(NC(=O)CC2=CC(=O)NN2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032905278	0	45	-1.0	-65.63	364.09	0.81	-64.82
CCC1(NC(=O)CC2=CC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032905278	1	45	-1.0	-65.63	364.09	0.81	-64.82
CCC1(NC(=O)C2=CC=C(O)C(F)=C2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032905282	0	45	-1.0	-54.29	366.57	3.74	-50.55
CCC1(NC(=O)C2=CC=C([O-])C(F)=C2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032905282	1	45	-1.0	-54.29	366.57	3.74	-50.55
CCC1(NC(=O)C2=NC=C(C)C=C2O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032905328	0	47	-1.0	-68.27	376.49	3.97	-64.30
CCC1(NC(=O)C2=NC=C(C)C=C2[O-])CCN(C(=O)C2=NSNC2=O)CC1	REAL300032905328	1	47	-1.0	-68.27	376.49	3.97	-64.30
CCC1(NC(=O)C2=CC([O-])=CS2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032905339	0	42	-1.0	-58.47	352.56	2.64	-55.83
CCC1(NC(=O)C2=CN([O-])C(=O)C=C2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300032905348	0	45	-1.0	-66.25	366.04	4.21	-62.04
CCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1	REAL300032905436	0	45	-1.0	-54.46	366.01	1.79	-52.67
CCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1	REAL300032905521	0	43	-1.0	-48.80	356.77	-2.54	-51.34
CCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1	REAL300032905521	1	43	-1.0	-49.40	357.38	-1.74	-51.14
CCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300032905622	0	41	-1.0	-53.22	337.26	-0.08	-53.30
O=C(C1=NSNC1=O)N1CCC2(C1)CCCN(C(=O)C1=COC(=O)[N-]1)C2	REAL300032907421	1	42	-1.0	-58.74	347.63	1.36	-57.38
O=C(CC1=CC(=O)N[N-]1)N1CCCC2(CCN(C(=O)C3=NSNC3=O)C2)C1	REAL300032907499	1	46	-1.0	-73.96	377.35	1.72	-72.24
CN1N=C(C(=O)N2CCCC3(CCN(C(=O)C4=NSNC4=O)C3)C2)[N-]C1=O	REAL300032907508	0	45	-1.0	-67.79	369.47	1.41	-66.38
O=C(C1=NSNC1=O)N1CCC2(C1)CCCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300032907540	0	44	-1.0	-53.19	359.26	2.68	-50.51
O=C(C1=NSNC1=O)N1CCC2(C1)CCCN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300032907574	0	43	-1.0	-50.38	352.93	1.27	-49.11
O=C(C1=NSNC1=O)N1CCC2(C1)CCCN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300032907745	0	42	-1.0	-55.81	346.46	0.59	-55.22
O=C(C1=NSNC1=O)N1CCCC2(CCN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300032908039	1	45	-1.0	-72.02	363.91	4.79	-67.23
O=C(C1=COC(=O)[N-]1)N1CCC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300032908514	1	42	-1.0	-52.74	347.01	0.99	-51.75
O=C(C1=NSNC1=O)N1CCCC2(CCN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300032908585	0	44	-1.0	-57.08	365.94	2.68	-54.40
O=C(C1=CC(=O)N[N-]1)N1CCC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300032908644	0	43	-1.0	-56.47	351.87	1.10	-55.37
O=C(C1=NC(=O)N[N-]1)N1CCC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300032908678	0	42	-1.0	-46.84	350.11	0.40	-46.44
O=C(C1=NSNC1=O)N1CCCC2(CCN(C(=O)C3=CN=CC([O-])=C3)C2)C1	REAL300032908786	1	45	-1.0	-64.99	364.32	2.19	-62.80
CN1N=C(C(=O)N2CCC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300032908894	0	45	-1.0	-63.85	369.39	1.29	-62.56
O=C(C1=NSNC1=O)N1CCCC2(CCN(C(=O)C3=CC=NC=C3[O-])C2)C1	REAL300032909024	0	45	-1.0	-65.81	361.95	3.65	-62.16
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300032909027	0	42	-1.0	-59.88	346.85	1.24	-58.64
CN1[N-]C(C(=O)N2CCC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300032909114	0	46	-1.0	-59.31	374.60	2.81	-56.50
O=C(CC1=CC(=O)N[N-]1)N1CCC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300032909160	1	46	-1.0	-68.09	376.65	1.53	-66.56
O=C(C1=CC([O-])=CS1)N1CCC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300032909204	0	43	-1.0	-70.72	359.92	2.81	-67.91
CN1[N-]C(C(=O)N2CCCC3(CCN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300032909263	0	46	-1.0	-62.41	374.43	2.91	-59.50
O=C(C1=NSNC1=O)N1CCC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300032909372	0	42	-1.0	-62.36	347.45	1.22	-61.14
O=C(NC1(CO)CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300032910088	0	41	-1.0	-54.27	351.50	-6.28	-60.55
O=C(CN1C(=O)[N-]NC1=O)N1CCCC(CO)(NC(=O)C2=NSNC2=O)C1	REAL300032910132	0	43	-1.0	-54.47	368.26	-4.82	-59.29
O=C(NC1(CO)CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=NSNC1=O	REAL300032910469	0	43	-1.0	-66.51	364.16	-0.68	-67.19
O=C(NC1(CO)CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=NSNC1=O	REAL300032910541	0	43	-1.0	-47.60	364.21	-5.64	-53.24
O=C(NC1(CO)CCCN(C(=O)C2=COC(=O)[N-]2)C1)C1=NSNC1=O	REAL300032910551	1	39	-1.0	-47.83	334.65	-3.97	-51.80
CCN1[N-]C(C(=O)N2CCCC(CO)(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032910655	0	46	-1.0	-51.35	383.49	-1.54	-52.89
O=C(CC1=CC(=O)N[N-]1)N1CCCC(CO)(NC(=O)C2=NSNC2=O)C1	REAL300032910662	1	43	-1.0	-57.92	363.39	-3.72	-61.64
CN1N=C(C(=O)N2CCCC(CO)(NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300032910680	0	42	-1.0	-55.10	356.83	-3.93	-59.03
O=C(NC1(CO)CCCN(C(=O)C2=C[N-]N=CC2=O)C1)C1=NSNC1=O	REAL300032910730	0	41	-1.0	-43.57	347.73	-2.68	-46.25
O=C(NC1(CO)CCCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300032910785	0	40	-1.0	-48.49	339.12	-4.15	-52.64
C[PH](C)([O-])C(=O)C(=O)N1CCCC(CO)(NC(=O)C2=NSNC2=O)C1	REAL300032910790	0	45	-1.0	-48.28	378.74	-3.16	-51.44
O=C(NC1(CO)CCCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=NSNC1=O	REAL300032910810	0	43	-1.0	-71.98	369.58	-0.43	-72.41
CC1SC(C(=O)N2CCCC(CO)(NC(=O)C3=NSNC3=O)C2)=NC1=O	REAL300032910827	0	42	-1.0	-53.77	366.04	-3.35	-57.12
CC1=C([O-])N=C(C(=O)N2CCCC(CO)(NC(=O)C3=NSNC3=O)C2)S1	REAL300032910827	1	42	-1.0	-53.77	366.04	-3.35	-57.12
O=C(NC1(CO)CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=NSNC1=O	REAL300032910841	0	43	-1.0	-66.77	364.02	-0.67	-67.44
O=C(NC1(CO)CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=NSNC1=O	REAL300032910861	0	43	-1.0	-62.33	362.37	-0.39	-62.72
O=C(CC1=NC([O-])=CS1)N1CCCC(CO)(NC(=O)C2=NSNC2=O)C1	REAL300032910960	0	42	-1.0	-68.93	369.27	-4.44	-73.37
CC1=CC(=O)C(C(=O)N2CCCC(CO)(NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032911096	0	44	-1.0	-51.35	368.62	-0.42	-51.77
O=C(NC1(CO)CCCN(C(=O)C2=NNC(=O)[N-]2)C1)C1=NSNC1=O	REAL300032911105	0	39	-1.0	-52.35	334.00	-5.60	-57.95
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=NC=CC=C1[O-]	REAL300032911434	1	42	-1.0	-67.77	351.57	-0.73	-68.50
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300032911520	0	41	-1.0	-60.12	351.43	-6.18	-66.30
O=C(CN1C(=O)[N-]NC1=O)NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1	REAL300032911593	0	43	-1.0	-58.17	365.46	-4.46	-62.63
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=COC(=O)[N-]1	REAL300032912218	1	39	-1.0	-61.91	334.36	-5.04	-66.95
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C=C1F	REAL300032912276	1	43	-1.0	-58.14	360.71	-0.43	-58.57
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=CC([O-])=CC(=O)O1	REAL300032912279	0	42	-1.0	-59.58	359.52	-1.28	-60.86
O=C(CCC1=NC(=O)[N-]N1)NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1	REAL300032912318	1	45	-1.0	-67.43	375.45	-4.36	-71.79
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=C[N-]N=CC1=O	REAL300032912327	0	41	-1.0	-55.23	343.39	-1.90	-57.13
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(F)=C1[O-]	REAL300032912332	0	43	-1.0	-68.27	360.57	1.03	-67.24
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC([O-])=C1F	REAL300032912376	1	43	-1.0	-66.64	360.89	-0.43	-67.07
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300032912427	0	40	-1.0	-58.96	339.78	-4.06	-63.02
C[PH](C)([O-])C(=O)C(=O)NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1	REAL300032912431	0	45	-1.0	-58.51	372.48	-2.70	-61.21
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N([O-])C=C1	REAL300032912469	0	43	-1.0	-69.49	362.54	0.04	-69.45
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]1	REAL300032912483	0	39	-1.0	-61.41	334.27	-5.51	-66.92
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CN([O-])C1=O	REAL300032912485	0	43	-1.0	-79.13	359.50	0.20	-78.93
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(F)=CC=C1O	REAL300032912567	0	43	-1.0	-61.90	360.44	1.00	-60.90
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(F)=CC=C1[O-]	REAL300032912567	1	43	-1.0	-61.90	360.44	1.00	-60.90
CC1=CC=NC(C(=O)NC2(CO)CCCN(C(=O)C3=NSNC3=O)C2)=C1O	REAL300032912604	0	45	-1.0	-66.86	371.58	-0.06	-66.92
CC1=CC=NC(C(=O)NC2(CO)CCCN(C(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300032912604	1	45	-1.0	-66.86	371.58	-0.06	-66.92
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=CN=CC(O)=C1	REAL300032912655	0	42	-1.0	-60.76	351.89	-2.28	-63.04
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=CN=CC([O-])=C1	REAL300032912655	1	42	-1.0	-60.76	351.89	-2.28	-63.04
O=C(CC1=NC([O-])=CS1)NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1	REAL300032912718	0	42	-1.0	-68.12	365.76	-4.13	-72.25
CC1=CC(=O)C(C(=O)NC2(CO)CCCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032912794	0	44	-1.0	-62.54	368.63	-0.33	-62.87
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300032912803	0	43	-1.0	-79.06	360.08	0.92	-78.14
CN1N=C(C(=O)NC2(CO)CCCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300032912836	0	42	-1.0	-63.95	357.03	-3.84	-67.79
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(F)C(O)=C1	REAL300032912931	0	43	-1.0	-67.26	362.73	-0.45	-67.71
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(F)C([O-])=C1	REAL300032912931	1	43	-1.0	-67.26	362.73	-0.45	-67.71
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)[N-]C(=O)N1	REAL300032912966	0	41	-1.0	-64.55	352.65	-7.07	-71.62
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)NC(=O)[N-]1	REAL300032912966	1	41	-1.0	-56.27	352.98	-6.33	-62.60
NC1=NC=C(C(=O)NC2(CO)CCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032912993	1	43	-1.0	-63.64	357.62	-3.15	-66.79
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=NC=C1[O-]	REAL300032913054	0	42	-1.0	-62.97	349.32	-0.86	-63.83
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300032913059	0	39	-1.0	-61.95	333.95	-3.56	-65.51
CC1=C([O-])N=C(C(=O)NC2(CO)CCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300032913071	1	42	-1.0	-70.66	366.29	-3.91	-74.57
O=C(NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)NC([O-])=C1	REAL300032913150	0	43	-1.0	-56.36	362.33	-4.87	-61.23
CCN1[N-]C(C(=O)NC2(CO)CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032913185	0	46	-1.0	-61.93	384.33	-1.42	-63.35
CN1[N-]C(C(=O)NC2(CO)CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032913196	0	43	-1.0	-61.19	362.52	-2.35	-63.54
O=C(CC1=CC(=O)N[N-]1)NC1(CO)CCCN(C(=O)C2=NSNC2=O)C1	REAL300032913256	1	43	-1.0	-59.68	359.91	-3.42	-63.10
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O=C(N[C@@H]1CCCN(C(=O)C2=C[N-]N=CC2=O)C1)C1=NSNC1=O	REAL300032922960	0	37	-1.0	-54.10	324.01	-0.19	-54.29
O=C(N[C@@H]1CCCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1)C1=NSNC1=O	REAL300032923000	0	41	-1.0	-61.34	359.91	0.38	-60.96
CC1=C(CC(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300032923012	0	45	-1.0	-77.29	383.75	1.18	-76.11
O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300032923098	0	36	-1.0	-61.02	317.12	-1.59	-62.61
C[PH](C)([O-])C(=O)C(=O)N1CCC[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300032923103	0	41	-1.0	-62.56	355.95	-0.76	-63.32
CN1[N-]C(CC(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032923106	0	42	-1.0	-75.20	363.59	0.49	-74.71
O=C(N[C@@H]1CCCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=NSNC1=O	REAL300032923152	0	39	-1.0	-74.89	339.54	1.75	-73.14
CSC1=NC=C(C(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032923172	1	41	-1.0	-66.32	369.06	-0.40	-66.72
CC1=C([O-])N=C(C(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300032923197	1	38	-1.0	-61.53	344.11	-0.83	-62.36
O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=NSNC1=O	REAL300032923218	1	38	-1.0	-58.23	349.14	1.74	-56.49
O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=NSNC1=O	REAL300032923240	0	39	-1.0	-76.95	347.38	2.03	-74.92
O=C(N[C@@H]1CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=NSNC1=O	REAL300032923300	0	39	-1.0	-95.98	346.97	1.79	-94.19
O=C(C[N-]C(=O)C(F)(F)F)N1CCC[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300032923470	0	38	-1.0	-62.06	350.27	-2.02	-64.08
NC1=NC([O-])=C(CC(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300032923471	0	40	-1.0	-80.31	361.51	-2.83	-83.14
O=C(CC1=NC([O-])=CS1)N1CCC[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300032923531	0	38	-1.0	-81.99	346.68	-1.96	-83.95
CCC1=NC=C(C(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032923556	1	43	-1.0	-77.66	371.77	0.24	-77.42
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300032923568	0	40	-1.0	-72.99	356.19	-3.45	-76.44
O=C(N[C@@H]1CCCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=NSNC1=O	REAL300032923645	0	35	-1.0	-62.89	335.92	-0.91	-63.80
COCC1=NC=C(C(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032923752	0	44	-1.0	-77.39	384.70	-1.52	-78.91
COCC1=NC=C(C(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032923752	1	44	-1.0	-77.39	384.70	-1.52	-78.91
CC1=CC(=O)C(C(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032923853	0	40	-1.0	-68.44	350.11	0.58	-67.86
O=C(N[C@@H]1CCCN(C(=O)C2=NNC(=O)[N-]2)C1)C1=NSNC1=O	REAL300032923872	0	35	-1.0	-65.36	311.80	-3.10	-68.46
O=C(N[C@@H]1CCCN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C1)C1=NSNC1=O	REAL300032923897	0	40	-1.0	-58.67	355.98	0.76	-57.91
O=C(N[C@@H]1CCCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=NSNC1=O	REAL300032923897	1	40	-1.0	-58.67	355.98	0.76	-57.91
O=C(N[C@@H]1CCCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=NSNC1=O	REAL300032924035	0	38	-1.0	-73.80	352.45	-0.65	-74.45
COC1=NC(C(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300032924055	0	41	-1.0	-66.03	355.76	-3.06	-69.09
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=NC=CC=C1[O-]	REAL300032924314	1	38	-1.0	-78.34	330.08	1.56	-76.78
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032924434	1	44	-1.0	-72.65	379.03	0.53	-72.12
CC(=O)[N-]C1=NC(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)=CS1	REAL300032924446	1	41	-1.0	-56.54	367.50	-0.09	-56.63
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300032924478	0	37	-1.0	-67.51	328.71	-3.76	-71.27
COC1=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300032924532	1	42	-1.0	-64.36	362.10	-2.46	-66.82
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032924701	0	39	-1.0	-72.00	343.06	-2.06	-74.06
O=C(CCCN1C(=O)[N-]NC1=O)N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032925691	0	45	-1.0	-70.81	386.23	-1.07	-71.88
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300032925898	1	44	-1.0	-59.07	373.55	1.45	-57.62
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032926751	0	43	-1.0	-67.07	373.92	-3.80	-70.87
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300032926761	0	41	-1.0	-68.94	360.97	3.50	-65.44
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(Cl)=CC=C1[O-]	REAL300032926775	1	39	-1.0	-76.49	348.93	3.99	-72.50
N#CC1=CC([O-])=CC(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)=C1	REAL300032926806	1	40	-1.0	-57.12	355.22	2.24	-54.88
NC1=CC=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)C([O-])=C1Cl	REAL300032926833	0	41	-1.0	-83.22	360.73	1.98	-81.24
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300032926895	0	41	-1.0	-87.46	358.86	4.55	-82.91
CCC1=NC=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032926926	1	43	-1.0	-57.89	362.47	0.86	-57.03
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=COC(=O)[N-]1	REAL300032926950	1	35	-1.0	-58.74	313.20	-2.84	-61.58
CC1=CC=NC(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300032928029	1	41	-1.0	-76.85	349.52	2.44	-74.41
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN=CC([O-])=C1	REAL300032928200	1	38	-1.0	-70.22	330.04	-0.13	-70.35
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=S)N1[O-]	REAL300032928213	0	39	-1.0	-104.95	349.22	4.25	-100.70
NC1=CC(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)=CC([O-])=C1Cl	REAL300032928369	1	41	-1.0	-60.93	363.07	0.36	-60.57
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(Cl)=N1	REAL300032928374	0	38	-1.0	-56.63	347.75	0.63	-56.00
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C=C1Cl	REAL300032928436	1	39	-1.0	-65.42	346.85	2.42	-63.00
N#CC1=CC(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)=C([O-])C=C1N	REAL300032928439	0	42	-1.0	-74.44	365.92	1.77	-72.67
O=C(CC1=NC([O-])=CS1)N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032928451	0	38	-1.0	-82.59	343.66	-1.76	-84.35
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C=CC=C1F	REAL300032928473	1	39	-1.0	-70.02	344.76	1.63	-68.39
O=C(CN1[N-]C(=O)C=CC1=O)N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032928476	0	41	-1.0	-71.94	358.93	-1.09	-73.03
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(F)C=C1[O-]	REAL300032928478	0	39	-1.0	-80.29	338.60	3.56	-76.73
CC1=CC=C(F)C([O-])=C1C(=O)N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032928526	0	42	-1.0	-78.57	364.19	2.18	-76.39
O=C(CC1SC(=O)[N-]C1=O)N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032928615	0	39	-1.0	-60.77	350.93	-2.53	-63.30
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([O-])C(F)=C1F	REAL300032928648	0	39	-1.0	-70.42	344.97	2.04	-68.38
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300032928651	1	40	-1.0	-51.15	353.44	0.64	-50.51
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(Cl)=C1[O-]	REAL300032928657	0	39	-1.0	-80.24	348.88	3.82	-76.42
CC1=CC(=O)C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032928694	0	40	-1.0	-67.53	346.11	2.12	-65.41
O=C(C=C([O-])C1=CC=C(O)C=C1)N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032928700	0	44	-1.0	-83.12	376.53	1.79	-81.33
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300032928732	0	39	-1.0	-100.84	338.11	3.21	-97.63
N#CC1=CC=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032928775	0	39	-1.0	-52.21	346.90	0.35	-51.86
O=C(COC1=NC(=O)[N-]C(=O)N1)N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032928776	0	41	-1.0	-67.15	364.29	-5.52	-72.67
O=C(COC1=NC(=O)NC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032928776	1	41	-1.0	-62.76	364.23	-5.47	-68.23
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300032928805	0	41	-1.0	-58.97	360.72	3.16	-55.81
CN1N=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300032928849	0	38	-1.0	-68.97	334.63	-1.45	-70.42
[N-]=[N+]=NC1=CC(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)=CC=C1[O-]	REAL300032928884	0	41	-1.0	-64.38	362.74	-0.47	-64.85
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=C(F)C=CC(O)=C1O	REAL300032928926	0	40	-1.0	-74.27	355.49	-0.30	-74.57
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=C(F)C=CC(O)=C1[O-]	REAL300032928926	1	40	-1.0	-74.27	355.49	-0.30	-74.57
N#CC1=CC=C([O-])C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)=C1	REAL300032928936	0	40	-1.0	-72.31	353.03	3.91	-68.40
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)NC1=O	REAL300032929063	0	39	-1.0	-60.95	343.59	-0.16	-61.11
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(F)C([O-])=C1	REAL300032929128	1	39	-1.0	-62.42	341.23	1.73	-60.69
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300032929137	1	44	-1.0	-91.49	372.98	3.96	-87.53
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300032929140	0	41	-1.0	-76.99	360.36	4.15	-72.84
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300032929143	0	41	-1.0	-67.13	360.38	4.15	-62.98
O=C([N-][C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C(F)(F)C(F)(F)F	REAL300032929145	0	34	-1.0	-55.89	315.45	0.64	-55.25
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C(Cl)C=C1[O-]	REAL300032929156	1	39	-1.0	-79.77	348.92	4.01	-75.76
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300032929177	0	41	-1.0	-57.24	362.57	2.51	-54.73
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)[N-]C(=O)N1	REAL300032929255	0	37	-1.0	-56.56	330.92	-3.97	-60.53
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)NC(=O)[N-]1	REAL300032929255	1	37	-1.0	-56.56	330.92	-3.97	-60.53
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C2N=NN([O-])C2=C1	REAL300032929289	0	41	-1.0	-80.10	356.59	0.93	-79.17
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=C(O)C2=CC=CC=C2C=N1	REAL300032929330	0	44	-1.0	-83.34	375.34	3.91	-79.43
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300032929330	1	44	-1.0	-83.34	375.34	3.91	-79.43
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=C(Cl)C(=O)[N-]S1	REAL300032929331	0	35	-1.0	-62.61	335.59	-0.55	-63.16
NC1=NC=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032929354	0	39	-1.0	-58.47	335.78	-0.78	-59.25
NC1=NC=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032929354	1	39	-1.0	-58.47	335.78	-0.78	-59.25
CC1=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)[N-]C(=O)C(C#N)=C1	REAL300032929385	0	42	-1.0	-54.32	367.27	1.02	-53.30
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300032929465	0	40	-1.0	-60.32	354.58	1.37	-58.95
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300032929465	1	40	-1.0	-60.32	354.58	1.37	-58.95
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=C2N[N-]N=C2C1=O	REAL300032929473	0	41	-1.0	-77.05	353.46	1.60	-75.45
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=NC=CC(Cl)=C1[O-]	REAL300032929486	0	38	-1.0	-74.56	345.64	2.29	-72.27
O=C(CC1=CC=C(O)C(Cl)=C1)N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032929492	0	42	-1.0	-76.40	374.81	3.07	-73.33
O=C(CC1=CC=C([O-])C(Cl)=C1)N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032929492	1	42	-1.0	-76.40	374.81	3.07	-73.33
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=NC=C1O	REAL300032929544	0	38	-1.0	-79.34	328.13	1.48	-77.86
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=NC=C1[O-]	REAL300032929544	1	38	-1.0	-79.34	328.13	1.48	-77.86
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300032929554	0	35	-1.0	-64.83	312.78	-1.37	-66.20
CC1SC(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300032929589	0	38	-1.0	-63.93	343.93	-1.53	-65.46
CC1=C([O-])N=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300032929589	1	38	-1.0	-63.93	343.93	-1.53	-65.46
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=C(O)C2=CC=CC=C2C=C1	REAL300032929659	0	45	-1.0	-85.20	377.14	5.82	-79.38
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300032929659	1	45	-1.0	-85.20	377.14	5.82	-79.38
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC2=CC=CC=C2C=C1O	REAL300032929667	0	45	-1.0	-89.37	378.24	5.76	-83.61
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300032929667	1	45	-1.0	-89.37	378.24	5.76	-83.61
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C(O)C=C1	REAL300032929717	0	41	-1.0	-64.04	354.30	1.71	-62.33
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=C([O-])C=C1	REAL300032929717	1	41	-1.0	-64.04	354.30	1.71	-62.33
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300032929754	0	38	-1.0	-73.17	352.52	-0.09	-73.26
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)N1	REAL300032929789	0	38	-1.0	-58.75	347.53	1.64	-57.11
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300032929789	1	38	-1.0	-58.75	347.53	1.64	-57.11
CSC1=NC=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032929815	0	41	-1.0	-58.24	363.72	0.38	-57.86
CSC1=NC=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032929815	1	41	-1.0	-58.24	363.72	0.38	-57.86
O=C(N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)NC([O-])=C1	REAL300032929823	0	39	-1.0	-60.57	340.49	-2.49	-63.06
CCN1[N-]C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032929905	0	42	-1.0	-64.90	361.69	0.97	-63.93
CN1[N-]C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300032929927	0	39	-1.0	-64.88	340.20	0.06	-64.82
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300032929944	0	39	-1.0	-66.52	354.37	-1.82	-68.34
CC1=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)C(=S)NC(=O)N1	REAL300032929946	0	41	-1.0	-81.13	368.49	-0.77	-81.90
CC1=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300032929946	1	41	-1.0	-81.13	368.49	-0.77	-81.90
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300032930990	0	41	-1.0	-72.01	361.97	-1.35	-73.36
O=C(N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NSNC1=O	REAL300032931004	0	35	-1.0	-64.38	311.69	-1.69	-66.07
O=C(N[C@@H]1CCCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=NSNC1=O	REAL300032931023	0	39	-1.0	-61.62	346.29	-0.69	-62.31
O=C(N[C@@H]1CCCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1)C1=NSNC1=O	REAL300032931058	1	40	-1.0	-64.07	363.00	-0.02	-64.09
CC1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1NC(=O)C1=NSNC1=O	REAL300032931576	1	44	-1.0	-64.65	386.13	1.03	-63.62
CC1CN(C(=O)CCCN2C(=O)[N-]NC2=O)CC1NC(=O)C1=NSNC1=O	REAL300032932215	0	45	-1.0	-59.67	394.79	-1.27	-60.94
CC1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)CC1NC(=O)C1=NSNC1=O	REAL300032932431	0	43	-1.0	-55.31	378.90	-3.62	-58.93
CC(=O)[N-]C1=NC(C(=O)N2CC(C)C(NC(=O)C3=NSNC3=O)C2)=CS1	REAL300032932432	1	41	-1.0	-56.25	373.30	-0.02	-56.27
CC1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)CC1NC(=O)C1=NSNC1=O	REAL300032932590	1	44	-1.0	-63.04	388.04	0.14	-62.90
COC1=C(C(=O)N2CC(C)C(NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300032932699	1	42	-1.0	-62.90	368.91	-2.74	-65.64
CC1CN(C(=O)C2=NNC(=O)[N-]C2=O)CC1NC(=O)C1=NSNC1=O	REAL300032932813	0	37	-1.0	-60.96	334.82	-3.94	-64.90
CC1CN(C(=O)CN2C(=O)[N-]NC2=O)CC1NC(=O)C1=NSNC1=O	REAL300032932930	0	39	-1.0	-56.56	348.73	-2.14	-58.70
CCC1=NC=C(C(=O)N2CC(C)C(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032934967	1	43	-1.0	-62.41	375.20	0.46	-61.95
CC1CN(C(=O)CN2N=CC(=O)[N-]C2=O)CC1NC(=O)C1=NSNC1=O	REAL300032934979	0	40	-1.0	-61.08	359.72	-3.15	-64.23
CC1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)CC1NC(=O)C1=NSNC1=O	REAL300032935056	0	35	-1.0	-59.61	338.98	-1.20	-60.81
COCC1=NC=C(C(=O)N2CC(C)C(NC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300032935163	0	44	-1.0	-62.87	388.13	-1.30	-64.17
COCC1=NC=C(C(=O)N2CC(C)C(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032935163	1	44	-1.0	-62.87	388.13	-1.30	-64.17
CC1=CC(=O)C(C(=O)N2CC(C)C(NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300032935264	0	40	-1.0	-58.53	348.42	2.25	-56.28
CC1CN(C(=O)C2=NC(=O)N[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300032935283	0	35	-1.0	-58.05	314.52	-2.29	-60.34
CC1CN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)CC1NC(=O)C1=NSNC1=O	REAL300032935308	0	40	-1.0	-55.17	369.10	0.89	-54.28
CC1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CC1NC(=O)C1=NSNC1=O	REAL300032935308	1	40	-1.0	-55.17	369.10	0.89	-54.28
CC1CN(C(=O)C2=CN=C(C=N[O-])S2)CC1NC(=O)C1=NSNC1=O	REAL300032935446	0	38	-1.0	-69.91	356.93	-0.75	-70.66
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NC=CC=C1O	REAL300032935725	0	38	-1.0	-57.40	335.36	1.67	-55.73
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NC=CC=C1[O-]	REAL300032935725	1	38	-1.0	-57.40	335.36	1.67	-55.73
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)CCN1C=CNC(=O)C1=O	REAL300032935845	0	44	-1.0	-61.34	384.88	0.43	-60.91
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300032935845	1	44	-1.0	-61.34	384.88	0.43	-60.91
CC(=O)NC1=NC(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2C)=CS1	REAL300032935857	0	41	-1.0	-43.89	373.43	-0.21	-44.10
CC(=O)[N-]C1=NC(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2C)=CS1	REAL300032935857	1	41	-1.0	-43.89	373.43	-0.21	-44.10
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300032935889	0	37	-1.0	-52.53	334.87	-3.83	-56.36
COC1=C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2C)NC(=O)NC1=O	REAL300032935943	0	42	-1.0	-56.10	364.95	-2.24	-58.34
COC1=C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2C)NC(=O)[N-]C1=O	REAL300032935943	1	42	-1.0	-56.10	364.95	-2.24	-58.34
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)CN1C(=O)[N-]NC1=O	REAL300032936112	0	39	-1.0	-52.37	345.49	-1.86	-54.23
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)CCCN1C(=O)[N-]NC1=O	REAL300032937102	0	45	-1.0	-55.58	391.45	-0.97	-56.55
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300032937309	1	44	-1.0	-45.32	379.46	1.34	-43.98
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(N)=C(F)C([O-])=C1F	REAL300032939000	0	41	-1.0	-65.84	365.01	-0.19	-66.03
COCC1=NC=C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2C)C(=O)[N-]1	REAL300032939008	1	44	-1.0	-51.29	377.95	-0.69	-51.98
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(F)=CC(F)=C1[O-]	REAL300032939038	0	39	-1.0	-56.18	350.75	3.49	-52.69
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300032939068	0	39	-1.0	-68.16	346.25	2.30	-65.86
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NC(=O)N[N-]1	REAL300032939103	0	35	-1.0	-46.65	317.90	-3.07	-49.72
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C([O-])C=CC=C1Cl	REAL300032939108	1	39	-1.0	-54.43	356.03	2.41	-52.02
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=CN([O-])C1=O	REAL300032939116	0	39	-1.0	-57.24	343.47	2.47	-54.77
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C(F)C=CC([O-])=C1F	REAL300032939153	1	39	-1.0	-54.89	352.91	2.01	-52.88
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NC(N)=CC(=O)[N-]1	REAL300032939271	0	39	-1.0	-56.06	347.40	-2.35	-58.41
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300032939341	0	39	-1.0	-50.07	356.21	2.34	-47.73
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(F)=CC=C1[O-]	REAL300032939348	1	39	-1.0	-55.07	344.54	3.43	-51.64
CC1=CC=NC(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2C)=C1[O-]	REAL300032939440	1	41	-1.0	-56.93	355.67	2.35	-54.58
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CN=CC([O-])=C1	REAL300032939611	1	38	-1.0	-54.85	331.83	0.27	-54.58
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=CC(=S)N1[O-]	REAL300032939624	0	39	-1.0	-83.23	354.50	4.34	-78.89
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300032939780	1	41	-1.0	-49.81	368.93	0.24	-49.57
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C([O-])C(Cl)=N1	REAL300032939785	0	38	-1.0	-45.23	353.67	0.51	-44.72
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C([O-])C=C1Cl	REAL300032939847	1	39	-1.0	-52.17	352.78	2.28	-49.89
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300032939850	0	42	-1.0	-54.74	371.88	1.67	-53.07
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)CC1=NC([O-])=CS1	REAL300032939862	0	38	-1.0	-70.63	349.76	-1.84	-72.47
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C([O-])C=CC=C1F	REAL300032939884	1	39	-1.0	-54.35	346.54	2.03	-52.32
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300032939887	0	41	-1.0	-53.98	365.03	-1.19	-55.17
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C(F)C=C1[O-]	REAL300032939889	0	39	-1.0	-59.05	344.53	3.43	-55.62
CC1=CC=C(F)C([O-])=C1C(=O)NC1CN(C(=O)C2=NSNC2=O)CC1C	REAL300032939937	0	42	-1.0	-60.39	365.98	2.60	-57.79
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)CC1SC(=O)[N-]C1=O	REAL300032940026	0	39	-1.0	-48.24	357.10	-2.61	-50.85
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C([O-])C(F)=C1F	REAL300032940059	0	39	-1.0	-55.98	350.90	1.91	-54.07
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300032940062	1	40	-1.0	-42.72	356.42	0.87	-41.85
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=CC(Cl)=C1[O-]	REAL300032940068	0	39	-1.0	-58.78	354.16	3.90	-54.88
CC1=CC(=O)C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2C)=N[N-]1	REAL300032940105	0	40	-1.0	-49.02	352.06	2.03	-46.99
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300032940111	0	44	-1.0	-61.05	381.74	1.86	-59.19
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300032940143	0	39	-1.0	-78.60	343.38	3.29	-75.31
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C(C#N)[N-]C1=O	REAL300032940186	0	39	-1.0	-40.50	353.23	0.25	-40.25
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300032940187	0	41	-1.0	-56.70	370.13	-5.61	-62.31
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300032940187	1	41	-1.0	-49.81	370.08	-5.57	-55.38
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300032940216	0	41	-1.0	-44.51	366.99	3.08	-41.43
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300032940260	0	38	-1.0	-55.54	337.02	-1.26	-56.80
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300032940295	0	41	-1.0	-50.76	367.95	-0.38	-51.14
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C(F)C=CC(O)=C1O	REAL300032940337	0	40	-1.0	-55.46	357.28	0.09	-55.37
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300032940337	1	40	-1.0	-55.46	357.28	0.09	-55.37
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(C#N)=CC=C1[O-]	REAL300032940347	0	40	-1.0	-52.90	358.96	3.78	-49.12
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300032940474	0	39	-1.0	-48.72	348.73	-0.07	-48.79
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C(F)C([O-])=C1	REAL300032940539	1	39	-1.0	-52.12	346.45	1.82	-50.30
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300032940548	1	44	-1.0	-68.21	378.94	3.85	-64.36
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300032940551	0	41	-1.0	-56.78	366.29	4.04	-52.74
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300032940554	0	41	-1.0	-48.61	366.30	4.03	-44.58
CC1CN(C(=O)C2=NSNC2=O)CC1[N-]C(=O)C(F)(F)C(F)(F)F	REAL300032940556	0	34	-1.0	-39.90	319.69	1.10	-38.80
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C(Cl)C=C1[O-]	REAL300032940567	1	39	-1.0	-58.43	354.85	3.88	-54.55
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300032940588	0	41	-1.0	-46.14	368.43	2.39	-43.75
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300032940666	0	37	-1.0	-51.04	336.43	-4.84	-55.88
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300032940666	1	37	-1.0	-43.94	337.08	-4.05	-47.99
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300032940700	0	41	-1.0	-64.98	362.44	0.80	-64.18
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300032940741	1	44	-1.0	-61.03	380.62	3.99	-57.04
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C(Cl)C(=O)[N-]S1	REAL300032940742	0	35	-1.0	-51.10	337.38	-0.16	-51.26
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CN=C(N)[N-]C1=O	REAL300032940765	1	39	-1.0	-44.92	341.68	-0.89	-45.81
CC1=C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2C)[N-]C(=O)C(C#N)=C1	REAL300032940796	0	42	-1.0	-44.85	373.26	0.89	-43.96
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C(F)C([O-])=C1F	REAL300032940816	0	39	-1.0	-64.63	350.86	1.89	-62.74
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300032940876	1	40	-1.0	-49.71	360.43	1.26	-48.45
COC1=NC(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2C)=CC(=O)[N-]1	REAL300032940882	0	41	-1.0	-52.54	364.02	-3.77	-56.31
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300032940884	0	41	-1.0	-56.94	358.63	1.70	-55.24
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NC=CC(Cl)=C1[O-]	REAL300032940897	0	38	-1.0	-53.90	351.56	2.18	-51.72
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300032940903	1	42	-1.0	-59.12	377.48	3.30	-55.82
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C(Cl)C([O-])=C1	REAL300032940944	0	39	-1.0	-48.23	356.25	2.30	-45.93
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=NC=C1[O-]	REAL300032940955	1	38	-1.0	-58.79	333.41	1.55	-57.24
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300032940965	0	35	-1.0	-52.27	318.05	-1.30	-53.57
CC1=C([O-])N=C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2C)S1	REAL300032941000	1	38	-1.0	-53.30	350.08	-1.66	-54.96
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300032941070	1	45	-1.0	-62.19	383.06	5.71	-56.48
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300032941078	1	45	-1.0	-66.51	384.16	5.65	-60.86
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C(=O)C1=CC=C([O-])C=C1	REAL300032941128	1	41	-1.0	-52.32	360.56	1.62	-50.70
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CN=C(C=N[O-])S1	REAL300032941165	0	38	-1.0	-64.11	355.15	0.12	-63.99
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300032941200	1	38	-1.0	-44.16	353.46	1.51	-42.65
CSC1=NC=C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2C)C(=O)[N-]1	REAL300032941226	1	41	-1.0	-51.51	366.27	0.57	-50.94
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300032941234	0	39	-1.0	-47.76	346.34	-2.62	-50.38
CCN1[N-]C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2C)=CC1=O	REAL300032941316	0	42	-1.0	-50.41	367.85	0.86	-49.55
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300032941338	0	39	-1.0	-49.55	346.04	-0.06	-49.61
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300032941355	0	39	-1.0	-55.01	360.22	-1.92	-56.93
CC1=C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2C)C(=S)[N-]C(=O)N1	REAL300032941357	1	41	-1.0	-59.13	373.87	-0.64	-59.77
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)CC1=CC(=O)N[N-]1	REAL300032941533	1	39	-1.0	-55.37	340.48	-0.82	-56.19
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300032941539	1	39	-1.0	-53.84	346.41	1.86	-51.98
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300032941601	0	39	-1.0	-56.04	349.19	2.24	-53.80
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=NC(Cl)=C1[O-]	REAL300032941607	0	38	-1.0	-57.36	349.59	2.00	-55.36
CC1=C(CC(=O)NC2CN(C(=O)C3=NSNC3=O)CC2C)C(=O)N(C)[N-]1	REAL300032941627	0	45	-1.0	-56.20	383.30	1.59	-54.61
CC1=CN=C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC2C)C([O-])=C1	REAL300032941676	1	41	-1.0	-58.66	356.80	2.30	-56.36
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C(O)C=CC(Cl)=C1[O-]	REAL300032941690	0	40	-1.0	-53.27	367.00	-0.25	-53.52
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC([O-])=CS1	REAL300032941710	0	36	-1.0	-58.70	329.04	1.00	-57.70
CC1CN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300032941732	0	39	-1.0	-67.55	345.88	2.31	-65.24
CC1(C)CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300032943240	0	43	-1.0	-53.29	360.53	-2.08	-55.37
CC1(C)CN(C(=O)C2=NSNC2=O)CCC1NC(=O)CN1C(=O)[N-]NC1=O	REAL300032943289	0	45	-1.0	-53.87	374.65	-0.40	-54.27
CC1(C)CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300032943635	0	45	-1.0	-66.74	371.33	4.06	-62.68
CC1(C)CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300032943710	0	45	-1.0	-48.65	372.07	-0.83	-49.48
CC1(C)CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=COC(=O)[N-]1	REAL300032943721	1	41	-1.0	-50.06	344.14	-0.98	-51.04
CCN1[N-]C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2(C)C)=CC1=O	REAL300032943826	0	48	-1.0	-52.13	393.24	2.61	-49.52
CC1(C)CN(C(=O)C2=NSNC2=O)CCC1NC(=O)CC1=CC(=O)N[N-]1	REAL300032943833	1	45	-1.0	-57.39	369.65	0.63	-56.76
CN1N=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2(C)C)[N-]C1=O	REAL300032943852	0	44	-1.0	-54.99	366.23	0.21	-54.78
CC1(C)CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=C[N-]N=CC1=O	REAL300032943904	0	43	-1.0	-42.10	352.92	2.12	-39.98
CC1(C)CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC(=O)N[N-]1	REAL300032943962	0	42	-1.0	-49.19	348.97	0.00	-49.19
CC1(C)CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300032943967	0	47	-1.0	-47.68	382.87	1.48	-46.20
CN1[N-]C(CC(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2(C)C)=CC1=O	REAL300032943969	0	48	-1.0	-59.60	392.48	2.35	-57.25
CC1(C)CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=CN([O-])C1=O	REAL300032943987	0	45	-1.0	-60.46	368.85	4.21	-56.25
CC1=C([O-])N=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2(C)C)S1	REAL300032944006	1	44	-1.0	-56.41	375.74	0.11	-56.30
CC1(C)CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300032944021	0	45	-1.0	-67.18	371.99	4.07	-63.11
CC1(C)CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300032944043	0	45	-1.0	-78.16	369.05	5.07	-73.09
CC1(C)CN(C(=O)C2=NSNC2=O)CCC1NC(=O)CC1=NC([O-])=CS1	REAL300032944145	0	44	-1.0	-68.82	375.49	-0.09	-68.91
CC1=CC(=O)C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CC2(C)C)=N[N-]1	REAL300032944284	0	46	-1.0	-51.43	377.73	3.79	-47.64
CC1(C)CN(C(=O)C2=NSNC2=O)CCC1NC(=O)C1=NNC(=O)[N-]1	REAL300032944294	0	41	-1.0	-52.08	343.18	-1.49	-53.57
CC1(C)CN(C(=O)C2=NC=CC=C2[O-])CCC1NC(=O)C1=NSNC1=O	REAL300032944629	1	44	-1.0	-62.85	363.43	3.13	-59.72
CC1(C)CN(C(=O)C2=NNC(=O)[N-]C2=O)CCC1NC(=O)C1=NSNC1=O	REAL300032944718	0	43	-1.0	-55.99	360.42	-2.16	-58.15
CC1(C)CN(C(=O)CN2C(=O)[N-]NC2=O)CCC1NC(=O)C1=NSNC1=O	REAL300032944805	0	45	-1.0	-56.41	377.44	-0.66	-57.07
CC1(C)CN(C(=O)C2=COC(=O)[N-]2)CCC1NC(=O)C1=NSNC1=O	REAL300032945601	1	41	-1.0	-52.11	343.64	0.11	-52.00
CC1(C)CN(C(=O)C2=CC=C([O-])C=C2F)CCC1NC(=O)C1=NSNC1=O	REAL300032945663	1	45	-1.0	-55.16	375.41	3.07	-52.09
CC1(C)CN(C(=O)C2=CC([O-])=CC(=O)O2)CCC1NC(=O)C1=NSNC1=O	REAL300032945666	0	44	-1.0	-53.75	371.19	2.46	-51.29
CC1=CC=C([O-])C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C(C)(C)C2)=N1	REAL300032945713	1	47	-1.0	-63.66	385.05	3.69	-59.97
CC1(C)CN(C(=O)C2=C[N-]N=CC2=O)CCC1NC(=O)C1=NSNC1=O	REAL300032945723	0	43	-1.0	-51.97	361.93	1.52	-50.45
CC1(C)CN(C(=O)C2=CC=CC(F)=C2[O-])CCC1NC(=O)C1=NSNC1=O	REAL300032945730	0	45	-1.0	-65.82	374.96	3.41	-62.41
CC1(C)CN(C(=O)C2=CC=CC([O-])=C2F)CCC1NC(=O)C1=NSNC1=O	REAL300032945785	1	45	-1.0	-64.03	375.23	3.06	-60.97
CC1(C)CN(C(=O)C2=CC(=O)N[N-]2)CCC1NC(=O)C1=NSNC1=O	REAL300032945850	0	42	-1.0	-50.49	348.41	0.02	-50.47
CC1(C)CN(C(=O)C(=O)[PH](C)(C)[O-])CCC1NC(=O)C1=NSNC1=O	REAL300032945855	0	47	-1.0	-50.43	383.28	1.41	-49.02
CC1(C)CN(C(=O)C2=CC(=O)N([O-])C=C2)CCC1NC(=O)C1=NSNC1=O	REAL300032945901	0	45	-1.0	-64.53	378.93	3.68	-60.85
CC1(C)CN(C(=O)C2=NC(=O)N[N-]2)CCC1NC(=O)C1=NSNC1=O	REAL300032945916	0	41	-1.0	-51.69	343.27	-0.60	-52.29
CC1(C)CN(C(=O)C2=CC=CN([O-])C2=O)CCC1NC(=O)C1=NSNC1=O	REAL300032945920	0	45	-1.0	-67.40	373.60	3.50	-63.90
CC1(C)CN(C(=O)C2=NC(N)=CC(=O)[N-]2)CCC1NC(=O)C1=NSNC1=O	REAL300032945993	0	45	-1.0	-59.36	376.76	-1.23	-60.59
CC1(C)CN(C(=O)C2=CC(F)=CC=C2[O-])CCC1NC(=O)C1=NSNC1=O	REAL300032946017	1	45	-1.0	-58.11	375.18	3.37	-54.74
CC1=CC=NC(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C(C)(C)C2)=C1[O-]	REAL300032946058	1	47	-1.0	-62.78	381.15	4.35	-58.43
CC1(C)CN(C(=O)C2=CN=CC([O-])=C2)CCC1NC(=O)C1=NSNC1=O	REAL300032946113	1	44	-1.0	-54.14	363.43	1.17	-52.97
CC1(C)CN(C(=O)CC2=NC([O-])=CS2)CCC1NC(=O)C1=NSNC1=O	REAL300032946192	0	44	-1.0	-70.25	378.25	-0.31	-70.56
CC1(C)CN(C(=O)C2=C([O-])C=CC=C2F)CCC1NC(=O)C1=NSNC1=O	REAL300032946203	0	45	-1.0	-58.17	379.00	3.24	-54.93
CC1(C)CN(C(=O)C2=CC=C(F)C=C2[O-])CCC1NC(=O)C1=NSNC1=O	REAL300032946204	0	45	-1.0	-60.46	375.16	3.38	-57.08
CC1=CC(=O)C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C(C)(C)C2)=N[N-]1	REAL300032946288	0	46	-1.0	-54.98	377.62	3.71	-51.27
CC1(C)CN(C(=O)C2=CC=CC(=O)N2[O-])CCC1NC(=O)C1=NSNC1=O	REAL300032946303	0	45	-1.0	-76.90	378.62	3.45	-73.45
CN1N=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C(C)(C)C2)[N-]C1=O	REAL300032946345	0	44	-1.0	-57.88	365.96	0.21	-57.67
CC1(C)CN(C(=O)C2=CC=C(F)C([O-])=C2)CCC1NC(=O)C1=NSNC1=O	REAL300032946460	1	45	-1.0	-62.17	374.83	3.00	-59.17
CC1(C)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCC1NC(=O)C1=NSNC1=O	REAL300032946507	0	43	-1.0	-49.74	366.31	-2.90	-52.64
CC1(C)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCC1NC(=O)C1=NSNC1=O	REAL300032946507	1	43	-1.0	-49.74	366.31	-2.90	-52.64
CC1(C)CN(C(=O)C2=CN=C(N)NC2=O)CCC1NC(=O)C1=NSNC1=O	REAL300032946542	0	45	-1.0	-60.68	376.37	0.19	-60.49
CC1(C)CN(C(=O)C2=CN=C(N)[N-]C2=O)CCC1NC(=O)C1=NSNC1=O	REAL300032946542	1	45	-1.0	-60.68	376.37	0.19	-60.49
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CCC1NC(=O)C1=NSNC1=O	REAL300032946623	0	41	-1.0	-56.37	343.44	0.00	-56.37
CC1SC(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C(C)(C)C2)=NC1=O	REAL300032946638	0	44	-1.0	-58.61	375.50	0.80	-57.81
CC1=C([O-])N=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C(C)(C)C2)S1	REAL300032946638	1	44	-1.0	-58.61	375.50	0.80	-57.81
CCN1[N-]C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C(C)(C)C2)=CC1=O	REAL300032946768	0	48	-1.0	-54.85	393.04	2.66	-52.19
CN1[N-]C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C(C)(C)C2)=CC1=O	REAL300032946784	0	45	-1.0	-54.14	371.12	1.74	-52.40
CC1(C)CN(C(=O)CC2=CC(=O)NN2)CCC1NC(=O)C1=NSNC1=O	REAL300032946862	0	45	-1.0	-59.04	372.43	0.42	-58.62
CC1(C)CN(C(=O)CC2=CC(=O)N[N-]2)CCC1NC(=O)C1=NSNC1=O	REAL300032946862	1	45	-1.0	-59.04	372.43	0.42	-58.62
CC1(C)CN(C(=O)C2=CC=C(O)C(F)=C2)CCC1NC(=O)C1=NSNC1=O	REAL300032946866	0	45	-1.0	-57.47	374.81	3.04	-54.43
CC1(C)CN(C(=O)C2=CC=C([O-])C(F)=C2)CCC1NC(=O)C1=NSNC1=O	REAL300032946866	1	45	-1.0	-57.47	374.81	3.04	-54.43
CC1=CN=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C(C)(C)C2)C(O)=C1	REAL300032946922	0	47	-1.0	-64.43	382.30	4.32	-60.11
CC1=CN=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C(C)(C)C2)C([O-])=C1	REAL300032946922	1	47	-1.0	-64.43	382.30	4.32	-60.11
CC1(C)CN(C(=O)C2=CC([O-])=CS2)CCC1NC(=O)C1=NSNC1=O	REAL300032946934	0	42	-1.0	-60.86	358.98	1.92	-58.94
CC1(C)CN(C(=O)C2=CN([O-])C(=O)C=C2)CCC1NC(=O)C1=NSNC1=O	REAL300032946945	0	45	-1.0	-64.12	378.71	3.66	-60.46
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CN1[N-]C(C(=O)N2CCN(C3CN(C(=O)C4=NSNC4=O)C3)CC2)=CC1=O	REAL300032949791	0	45	-1.0	-57.38	380.94	0.00	-57.38
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CCN1[N-]C(C(=O)NCC2(O)CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032954051	0	46	-1.0	-55.98	387.49	-1.20	-57.18
CN1[N-]C(C(=O)NCC2(O)CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032954066	0	43	-1.0	-55.32	365.76	-2.13	-57.45
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CC1=CN=C(C(=O)NCC2(O)CCN(C(=O)C3=NSNC3=O)CC2)C([O-])=C1	REAL300032954199	1	45	-1.0	-64.69	376.44	0.19	-64.50
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CN1[N-]C(C(=O)N2CCC(O)(CNC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032954309	0	43	-1.0	-56.34	365.75	-2.01	-58.35
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CC1CC(NC(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300032955664	0	40	-1.0	-52.91	343.00	-3.28	-56.19
CC1CC(NC(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)C1=NSNC1=O	REAL300032955748	0	42	-1.0	-52.67	353.12	-1.20	-53.87
CC1CC(NC(=O)C2=CN([O-])C(=O)C=C2)CCN1C(=O)C1=NSNC1=O	REAL300032956339	0	42	-1.0	-66.51	354.37	2.91	-63.60
CC1CC(NC(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)C1=NSNC1=O	REAL300032956453	0	42	-1.0	-48.19	354.55	-2.04	-50.23
CC1CC(NC(=O)C2=COC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300032956464	1	38	-1.0	-49.21	326.91	-2.16	-51.37
CC1CC([N-]C(=O)C(F)(F)C(F)(F)F)CCN1C(=O)C1=NSNC1=O	REAL300032956554	1	37	-1.0	-42.70	331.16	1.24	-41.46
CCN1[N-]C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C(C)C2)=CC1=O	REAL300032956634	0	45	-1.0	-52.79	377.84	1.57	-51.22
CC1CC(NC(=O)CC2=CC(=O)N[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300032956642	1	42	-1.0	-57.13	352.40	-0.56	-57.69
CC1CC(NC(=O)C2=CC=CC(=S)N2[O-])CCN1C(=O)C1=NSNC1=O	REAL300032956660	0	42	-1.0	-82.27	362.93	4.93	-77.34
CC1CC(NC(=O)CC2SC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300032956669	0	42	-1.0	-48.27	365.52	-2.03	-50.30
CC1CC(NC(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300032956685	0	41	-1.0	-54.46	348.99	-0.97	-55.43
CC1CC(NC(=O)C2=C[N-]N=CC2=O)CCN1C(=O)C1=NSNC1=O	REAL300032956774	0	40	-1.0	-42.83	337.52	1.09	-41.74
CC1CC(NC(=O)C2=CC(=O)N[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300032956873	0	39	-1.0	-48.53	331.74	-1.17	-49.70
CC1CC(NC(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)C1=NSNC1=O	REAL300032956878	0	44	-1.0	-46.81	365.83	0.29	-46.52
CC1CC(NC(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)C1=NSNC1=O	REAL300032956909	0	42	-1.0	-59.93	351.63	3.03	-56.90
CC1SC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C(C)C2)=NC1=O	REAL300032956937	0	41	-1.0	-55.62	358.51	-1.07	-56.69
CC1=C([O-])N=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C(C)C2)S1	REAL300032956937	1	41	-1.0	-55.62	358.51	-1.07	-56.69
CC1CC(NC(=O)C2=CC(=O)C=C(Cl)N2)CCN1C(=O)C1=NSNC1=O	REAL300032956951	0	41	-1.0	-45.43	361.89	2.12	-43.31
CC1CC(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300032956951	1	41	-1.0	-45.43	361.89	2.12	-43.31
CC1CC(NC(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)C1=NSNC1=O	REAL300032956968	0	42	-1.0	-67.20	354.76	2.90	-64.30
CC1CC(NC(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)C1=NSNC1=O	REAL300032957001	0	42	-1.0	-78.35	351.82	3.89	-74.46
CC1CC(NC(=O)C[N-]C(=O)C(F)(F)F)CCN1C(=O)C1=NSNC1=O	REAL300032957123	0	41	-1.0	-47.61	361.85	-1.29	-48.90
CC1CC(NC(=O)CC2=C([O-])N=C(N)S2)CCN1C(=O)C1=NSNC1=O	REAL300032957124	0	43	-1.0	-66.05	368.48	-1.78	-67.83
CC1CC(NC(=O)CC2=NC([O-])=CS2)CCN1C(=O)C1=NSNC1=O	REAL300032957169	0	41	-1.0	-68.54	353.66	-0.92	-69.46
CCC1=NC=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C(C)C2)C(=O)[N-]1	REAL300032957187	1	46	-1.0	-46.89	376.53	1.31	-45.58
CC1CC(NC(=O)CN2N=CC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300032957196	0	43	-1.0	-57.75	367.46	-2.73	-60.48
CC1=CC(=O)C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C(C)C2)=N[N-]1	REAL300032957398	0	43	-1.0	-50.70	360.16	2.57	-48.13
CC1CC(NC(=O)C2=NNC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300032957413	0	38	-1.0	-52.82	327.79	-2.54	-55.36
CC1CC(NC(=O)C2=CN=C(C=N[O-])S2)CCN1C(=O)C1=NSNC1=O	REAL300032957524	0	41	-1.0	-64.09	368.68	0.52	-63.57
COC1=NC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C(C)C2)=CC(=O)[N-]1	REAL300032957537	0	44	-1.0	-54.28	374.02	-3.05	-57.33
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300032957793	1	41	-1.0	-62.19	346.49	1.87	-60.32
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300032957906	0	40	-1.0	-55.68	339.81	-3.02	-58.70
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300032958044	0	42	-1.0	-56.72	360.44	-1.71	-58.43
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300032959146	1	42	-1.0	-58.51	359.84	4.03	-54.48
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300032959169	1	43	-1.0	-51.10	370.07	2.24	-48.86
CCC1=NC=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2C)C(=O)[N-]1	REAL300032959236	1	46	-1.0	-54.92	378.65	0.71	-54.21
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=COC(=O)[N-]1	REAL300032959251	1	38	-1.0	-53.48	328.16	-0.98	-54.46
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300032959317	0	41	-1.0	-49.80	360.53	-1.02	-50.82
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300032959318	0	43	-1.0	-67.95	376.10	-2.19	-70.14
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C=C1F	REAL300032959337	1	42	-1.0	-55.50	355.77	1.97	-53.53
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300032959343	0	41	-1.0	-54.61	354.15	1.39	-53.22
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300032959349	1	43	-1.0	-51.84	365.06	2.69	-49.15
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300032959352	0	41	-1.0	-56.67	359.01	1.64	-55.03
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300032959364	0	43	-1.0	-59.93	370.79	-2.82	-62.75
CC1=CC=C([O-])C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2C)=N1	REAL300032959418	1	44	-1.0	-65.27	369.34	2.59	-62.68
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300032959435	0	40	-1.0	-47.85	337.32	0.41	-47.44
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300032959442	0	42	-1.0	-66.66	353.77	3.11	-63.55
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC([O-])=C1F	REAL300032959517	1	42	-1.0	-65.23	354.08	1.94	-63.29
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300032959599	0	39	-1.0	-52.60	333.02	-1.03	-53.63
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300032959604	0	44	-1.0	-50.67	366.02	-0.11	-50.78
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300032959678	0	42	-1.0	-68.00	355.35	2.42	-65.58
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NNC(=O)[N-]1	REAL300032959702	0	38	-1.0	-55.46	325.98	-2.50	-57.96
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300032959707	0	42	-1.0	-65.42	353.73	2.28	-63.14
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(F)=CC=C1O	REAL300032959842	0	42	-1.0	-58.03	349.53	3.60	-54.43
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300032959842	1	42	-1.0	-58.03	349.53	3.60	-54.43
CC1=CC=NC(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2C)=C1O	REAL300032959900	0	44	-1.0	-61.91	366.94	2.54	-59.37
CC1=CC=NC(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2C)=C1[O-]	REAL300032959900	1	44	-1.0	-61.91	366.94	2.54	-59.37
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=CC([O-])=C1	REAL300032959992	1	41	-1.0	-57.23	347.05	-0.03	-57.26
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300032960002	0	42	-1.0	-74.02	365.27	3.37	-70.65
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300032960099	0	41	-1.0	-50.27	363.54	1.43	-48.84
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300032960136	1	42	-1.0	-54.57	362.49	2.40	-52.17
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)CC1=NC([O-])=CS1	REAL300032960143	0	41	-1.0	-69.10	361.28	-1.32	-70.42
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300032960157	0	44	-1.0	-57.16	376.54	-0.72	-57.88
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300032960158	0	42	-1.0	-60.78	355.32	2.93	-57.85
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300032960233	0	42	-1.0	-51.02	368.54	-2.09	-53.11
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300032960253	0	42	-1.0	-57.29	360.41	2.03	-55.26
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300032960259	0	42	-1.0	-61.40	363.57	3.61	-57.79
CC1=CC(=O)C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2C)=N[N-]1	REAL300032960282	0	43	-1.0	-55.54	361.91	2.62	-52.92
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300032960301	0	42	-1.0	-70.11	354.18	2.74	-67.37
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300032960322	0	42	-1.0	-50.44	363.48	0.19	-50.25
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300032960363	0	41	-1.0	-58.02	348.74	-0.83	-58.85
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300032960409	0	43	-1.0	-55.79	368.42	3.47	-52.32
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300032960483	0	42	-1.0	-54.64	358.87	-0.11	-54.75
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(F)C(O)=C1	REAL300032960526	0	42	-1.0	-55.59	351.10	2.30	-53.29
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300032960526	1	42	-1.0	-55.59	351.10	2.30	-53.29
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(Cl)C=C1O	REAL300032960541	0	42	-1.0	-60.48	365.81	3.35	-57.13
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300032960541	1	42	-1.0	-60.48	365.81	3.35	-57.13
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300032960597	0	40	-1.0	-55.98	346.32	-3.47	-59.45
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300032960597	1	40	-1.0	-49.26	344.78	-3.55	-52.81
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300032960640	1	42	-1.0	-55.52	352.21	-0.92	-56.44
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(F)C([O-])=C1F	REAL300032960670	0	42	-1.0	-64.93	360.36	1.98	-62.95
COC1=NC(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2C)=CC(=O)[N-]1	REAL300032960710	0	44	-1.0	-56.38	374.73	-2.73	-59.11
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300032960715	0	41	-1.0	-57.83	358.24	2.94	-54.89
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300032960746	0	42	-1.0	-51.68	360.90	2.80	-48.88
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=NC=C1[O-]	REAL300032960754	0	41	-1.0	-62.03	346.30	0.18	-61.85
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300032960759	0	38	-1.0	-57.13	327.95	-0.98	-58.11
CC1=C([O-])N=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2C)S1	REAL300032960777	1	41	-1.0	-59.29	358.26	-0.22	-59.51
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300032960860	1	44	-1.0	-55.19	377.91	1.99	-53.20
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300032960876	0	41	-1.0	-65.66	367.42	0.00	-65.66
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300032960893	1	41	-1.0	-47.74	358.62	2.84	-44.90
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300032960911	0	42	-1.0	-51.20	355.47	-2.46	-53.66
CCN1[N-]C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2C)=CC1=O	REAL300032960965	0	45	-1.0	-53.76	371.77	2.04	-51.72
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300032960979	0	42	-1.0	-54.97	355.75	0.66	-54.31
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300032960988	0	42	-1.0	-54.97	367.38	-0.97	-55.94
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)CC1=CC(=O)N[N-]1	REAL300032961090	1	42	-1.0	-58.95	355.43	-0.61	-59.56
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300032961095	1	42	-1.0	-57.16	355.56	1.97	-55.19
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300032961131	0	42	-1.0	-57.45	362.64	2.04	-55.41
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300032961135	0	41	-1.0	-60.46	358.32	1.66	-58.80
CC1=C(CC(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2C)C(=O)N(C)[N-]1	REAL300032961149	0	48	-1.0	-59.82	398.21	1.79	-58.03
CC1=CN=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)CC2C)C([O-])=C1	REAL300032961184	1	44	-1.0	-63.54	368.33	2.36	-61.18
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CS1	REAL300032961203	0	39	-1.0	-61.88	336.02	1.17	-60.71
CC1CC(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300032961216	0	42	-1.0	-67.66	350.49	2.80	-64.86
CC1CC(NC(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300032961365	0	42	-1.0	-52.09	356.11	0.64	-51.45
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300032961372	0	42	-1.0	-54.12	368.71	-1.36	-55.48
CC1CC(NC(=O)C2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=NSNC1=O	REAL300032961521	0	40	-1.0	-52.13	344.56	-4.26	-56.39
CC1CC(NC(=O)C2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300032961521	1	40	-1.0	-45.45	345.50	-3.47	-48.92
CC1CC(NC(=O)CN2[N-]C(=O)C=CC2=O)CCN1C(=O)C1=NSNC1=O	REAL300032961660	0	44	-1.0	-54.69	373.23	-0.63	-55.32
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NSNC1=O	REAL300032961667	0	38	-1.0	-53.03	326.18	-0.72	-53.75
CC1CC(NC(=O)C2=CN([O-])C(=O)NC2=O)CCN1C(=O)C1=NSNC1=O	REAL300032961678	0	42	-1.0	-50.58	358.46	0.58	-50.00
C[C@@H](CCNC(=O)C1=CN=C(C2CC2)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032962237	1	43	-1.0	-49.68	380.83	-0.14	-49.82
C[C@@H](CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)NC(=O)C1=NSNC1=O	REAL300032962543	0	43	-1.0	-44.90	386.86	-1.83	-46.73
C[C@@H](CCNC(=O)CCCN1C(=O)[N-]NC1=O)NC(=O)C1=NSNC1=O	REAL300032963093	0	44	-1.0	-60.66	392.81	-2.46	-63.12
CC(C)CN1[N-]C(CC(=O)NCC[C@H](C)NC(=O)C2=NSNC2=O)=CC1=O	REAL300032963289	0	50	-1.0	-66.80	427.26	1.31	-65.49
C[C@@H](CCNC(=O)CCC1=NNC(=O)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032963383	0	42	-1.0	-59.22	380.50	-5.18	-64.40
CC(=O)[N-]C1=NC(C(=O)NCC[C@H](C)NC(=O)C2=NSNC2=O)=CS1	REAL300032963384	1	40	-1.0	-48.15	374.73	-1.69	-49.84
C[C@@H](CCNC(=O)CCN1C=C[N-]C(=O)C1=O)NC(=O)C1=NSNC1=O	REAL300032963598	1	43	-1.0	-64.88	386.24	-1.04	-65.92
COC1=C(C(=O)NCC[C@H](C)NC(=O)C2=NSNC2=O)NC(=O)[N-]C1=O	REAL300032963743	1	41	-1.0	-57.54	369.93	-4.00	-61.54
C[C@@H](CCNC(=O)C1=NNC(=O)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300032963894	0	36	-1.0	-58.40	336.17	-5.31	-63.71
C[C@@H](CCNC(=O)CN1C(=O)[N-]NC1=O)NC(=O)C1=NSNC1=O	REAL300032964035	0	38	-1.0	-59.98	350.28	-3.65	-63.63
CC1=C(C(=O)NCC[C@H](C)NC(=O)C2=NSNC2=O)C(=O)[N-]C(C(C)C)=N1	REAL300032964078	1	48	-1.0	-49.62	406.72	0.30	-49.32
C[C@@H](CCNC(=O)CN1[N-]C=C2C1=NC=NC2=O)NC(=O)C1=NSNC1=O	REAL300032964215	0	42	-1.0	-64.28	383.83	-0.76	-65.04
C[C@@H](CCNC(=O)C1=CC(=O)N[N-]1)NC(=O)C1=NSNC1=O	REAL300032966039	0	35	-1.0	-52.48	324.61	-3.26	-55.74
C[C@@H](CCNC(=O)C(=O)[PH](C)(C)[O-])NC(=O)C1=NSNC1=O	REAL300032966044	0	40	-1.0	-50.49	358.77	-1.75	-52.24
C[C@@H](CCNC(=O)CC1=CC(=O)N(C)[N-]1)NC(=O)C1=NSNC1=O	REAL300032966047	0	41	-1.0	-66.33	368.11	-0.89	-67.22
C[C@@H](CCNC(=O)CCC1=NC(=O)[N-]N1)NC(=O)C1=NSNC1=O	REAL300032966088	1	40	-1.0	-63.81	360.53	-3.59	-67.40
C[C@@H](CCNC(=O)C1=CC=CN([O-])C1=O)NC(=O)C1=NSNC1=O	REAL300032966098	0	38	-1.0	-59.78	344.84	0.99	-58.79
CSC1=NC=C(C(=O)NCC[C@H](C)NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300032966124	1	40	-1.0	-49.15	370.99	-1.20	-50.35
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CN(C(=O)C1=C[N-]N=CC1=O)C1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300032977477	0	43	-1.0	-60.10	356.20	3.32	-56.78
CN(C(=O)C1=CC(=O)N[N-]1)C1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300032977535	0	42	-1.0	-61.98	343.32	1.83	-60.15
CN(C(=O)C(=O)[PH](C)(C)[O-])C1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300032977540	0	47	-1.0	-48.61	377.06	2.97	-45.64
CN(C(=O)C1=CC=CN([O-])C1=O)C1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300032977560	0	45	-1.0	-78.22	370.21	5.32	-72.90
CC1SC(C(=O)N(C)C2CCCN(C(=O)C3=NSNC3=O)CC2)=NC1=O	REAL300032977579	0	44	-1.0	-63.12	370.94	2.58	-60.54
CC1=C([O-])N=C(C(=O)N(C)C2CCCN(C(=O)C3=NSNC3=O)CC2)S1	REAL300032977579	1	44	-1.0	-63.12	370.94	2.58	-60.54
CN(C(=O)C1=CC(=O)N([O-])C=C1)C1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300032977594	0	45	-1.0	-73.70	373.18	5.47	-68.23
CN(C(=O)C1=CC=CC(=O)N1[O-])C1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300032977616	0	45	-1.0	-102.07	364.53	5.99	-96.08
CN(C(=O)CC1=NC([O-])=CS1)C1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300032977718	0	44	-1.0	-84.83	372.42	1.49	-83.34
CC1=CC(=O)C(C(=O)N(C)C2CCCN(C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300032977857	0	46	-1.0	-67.77	372.86	5.53	-62.24
CN(C(=O)C1=NNC(=O)[N-]1)C1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300032977867	0	41	-1.0	-66.86	339.27	0.22	-66.64
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300032978202	1	44	-1.0	-81.75	355.06	5.72	-76.03
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1	REAL300032978291	0	43	-1.0	-73.16	355.37	-0.35	-73.51
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)CN2C(=O)[N-]NC2=O)CC1	REAL300032978378	0	45	-1.0	-56.92	372.76	0.92	-56.00
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300032979174	1	41	-1.0	-62.17	339.62	2.09	-60.08
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=C([O-])C=C2F)CC1	REAL300032979236	1	45	-1.0	-71.06	373.09	4.73	-66.33
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1	REAL300032979239	0	44	-1.0	-65.19	364.04	3.89	-61.30
CC1=CC=C([O-])C(C(=O)N2CCCC(N(C)C(=O)C3=NSNC3=O)CC2)=N1	REAL300032979286	1	47	-1.0	-83.24	377.28	6.18	-77.06
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300032979296	0	43	-1.0	-56.94	347.39	2.89	-54.05
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=CC(F)=C2[O-])CC1	REAL300032979303	0	45	-1.0	-93.74	371.43	5.10	-88.64
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=CC([O-])=C2F)CC1	REAL300032979358	1	45	-1.0	-90.27	371.70	4.67	-85.60
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300032979423	0	42	-1.0	-66.42	344.46	1.77	-64.65
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C(=O)[PH](C)(C)[O-])CC1	REAL300032979428	0	47	-1.0	-50.06	377.10	2.81	-47.25
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1	REAL300032979474	0	45	-1.0	-73.16	373.00	5.20	-67.96
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300032979489	0	41	-1.0	-63.64	339.29	1.30	-62.34
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=CN([O-])C2=O)CC1	REAL300032979493	0	45	-1.0	-72.59	364.62	4.71	-67.88
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(F)=CC=C2O)CC1	REAL300032979590	0	45	-1.0	-59.96	362.11	5.82	-54.14
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300032979590	1	45	-1.0	-59.96	362.11	5.82	-54.14
CC1=CC=NC(C(=O)N2CCCC(N(C)C(=O)C3=NSNC3=O)CC2)=C1O	REAL300032979631	0	47	-1.0	-81.70	376.06	6.29	-75.41
CC1=CC=NC(C(=O)N2CCCC(N(C)C(=O)C3=NSNC3=O)CC2)=C1[O-]	REAL300032979631	1	47	-1.0	-81.70	376.06	6.29	-75.41
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CN=CC(O)=C2)CC1	REAL300032979686	0	44	-1.0	-65.49	353.42	2.60	-62.89
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300032979686	1	44	-1.0	-65.49	353.42	2.60	-62.89
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)CC2=NC([O-])=CS2)CC1	REAL300032979765	0	44	-1.0	-71.24	373.62	1.30	-69.94
CC1=CC(=O)C(C(=O)N2CCCC(N(C)C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300032979861	0	46	-1.0	-71.70	371.84	5.56	-66.14
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=CC(=O)N2[O-])CC1	REAL300032979876	0	45	-1.0	-77.18	375.07	5.09	-72.09
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1	REAL300032979918	0	44	-1.0	-74.28	361.93	1.95	-72.33
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1	REAL300032980033	1	45	-1.0	-63.55	363.51	4.39	-59.16
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1	REAL300032980080	0	43	-1.0	-61.40	356.68	0.63	-60.77
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1	REAL300032980080	1	43	-1.0	-61.40	356.68	0.63	-60.77
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CN=C(N)NC2=O)CC1	REAL300032980115	0	45	-1.0	-80.96	371.92	1.78	-79.18
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CN=C(N)[N-]C2=O)CC1	REAL300032980115	1	45	-1.0	-80.96	371.92	1.78	-79.18
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300032980196	0	41	-1.0	-70.03	339.71	1.77	-68.26
CC1SC(C(=O)N2CCCC(N(C)C(=O)C3=NSNC3=O)CC2)=NC1=O	REAL300032980211	0	44	-1.0	-67.08	371.38	2.74	-64.34
CC1=C([O-])N=C(C(=O)N2CCCC(N(C)C(=O)C3=NSNC3=O)CC2)S1	REAL300032980211	1	44	-1.0	-67.08	371.38	2.74	-64.34
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1	REAL300032980303	0	45	-1.0	-63.79	364.49	0.07	-63.72
CCN1[N-]C(C(=O)N2CCCC(N(C)C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300032980341	0	48	-1.0	-70.93	388.13	4.38	-66.55
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1	REAL300032980357	0	45	-1.0	-69.45	367.16	3.49	-65.96
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)CC2=CC(=O)NN2)CC1	REAL300032980435	0	45	-1.0	-59.85	367.75	2.01	-57.84
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)CC2=CC(=O)N[N-]2)CC1	REAL300032980435	1	45	-1.0	-59.85	367.75	2.01	-57.84
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=C(O)C(F)=C2)CC1	REAL300032980439	0	45	-1.0	-57.55	363.48	4.43	-53.12
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300032980439	1	45	-1.0	-57.55	363.48	4.43	-53.12
CC1=CN=C(C(=O)N2CCCC(N(C)C(=O)C3=NSNC3=O)CC2)C(O)=C1	REAL300032980495	0	47	-1.0	-83.80	377.17	6.25	-77.55
CC1=CN=C(C(=O)N2CCCC(N(C)C(=O)C3=NSNC3=O)CC2)C([O-])=C1	REAL300032980495	1	47	-1.0	-83.80	377.17	6.25	-77.55
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CC([O-])=CS2)CC1	REAL300032980507	0	42	-1.0	-80.74	349.19	3.29	-77.45
CN(C(=O)C1=NSNC1=O)C1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1	REAL300032980518	0	45	-1.0	-67.31	362.87	4.89	-62.42
CN(C(=O)C1=CC(=O)N(C)[N-]1)C1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300032980609	0	45	-1.0	-64.67	366.29	3.55	-61.12
CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300032980694	0	43	-1.0	-59.90	356.03	-0.46	-60.36
CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300032980694	1	43	-1.0	-56.83	356.75	0.25	-56.58
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300032980795	0	41	-1.0	-65.04	337.69	1.94	-63.10
O=C(C1=COC(=O)[N-]1)N1CCOC2(CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300032981806	1	43	-1.0	-52.46	352.59	0.25	-52.21
O=C(C1=CC(=O)N[N-]1)N1CCOC2(CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300032981885	0	44	-1.0	-50.54	357.36	0.14	-50.40
O=C(C1=NC(=O)N[N-]1)N1CCOC2(CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300032981954	0	43	-1.0	-52.88	353.49	-0.68	-53.56
O=C(C1=COC(=O)[N-]1)N1CCC2(CC1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300032982296	1	43	-1.0	-55.22	352.07	0.26	-54.96
O=C(C1=CC(=O)N[N-]1)N1CCC2(CC1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300032982349	0	44	-1.0	-55.18	357.39	0.15	-55.03
O=C(C1=NC(=O)N[N-]1)N1CCC2(CC1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300032982359	0	43	-1.0	-53.60	351.73	-0.48	-54.08
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300032982505	0	43	-1.0	-60.46	352.73	0.33	-60.13
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300032982661	0	43	-1.0	-59.54	352.30	0.14	-59.40
O=C(C1=COC(=O)[N-]1)N1CCC2(CC1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300032982981	1	43	-1.0	-55.22	352.07	0.26	-54.96
O=C(C1=CC(=O)N[N-]1)N1CCC2(CC1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300032983060	0	44	-1.0	-55.18	357.39	0.15	-55.03
O=C(C1=NC(=O)N[N-]1)N1CCC2(CC1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300032983129	0	43	-1.0	-53.60	351.73	-0.48	-54.08
O=C(C1=COC(=O)[N-]1)N1CCOC2(CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300032983471	1	43	-1.0	-52.46	352.59	0.25	-52.21
O=C(C1=CC(=O)N[N-]1)N1CCOC2(CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300032983524	0	44	-1.0	-50.54	357.36	0.14	-50.40
O=C(C1=NC(=O)N[N-]1)N1CCOC2(CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300032983534	0	43	-1.0	-52.88	353.49	-0.68	-53.56
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300032983680	0	43	-1.0	-59.54	352.30	0.14	-59.40
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300032983836	0	43	-1.0	-60.46	352.73	0.33	-60.13
CCN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032984706	1	44	-1.0	-52.10	373.45	1.75	-50.35
CCN(C(=O)CCCN1C(=O)[N-]NC1=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032985345	0	45	-1.0	-60.23	382.75	-0.10	-60.33
CCN(C(=O)CCC1=NNC(=O)[N-]C1=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032985561	0	43	-1.0	-59.17	372.77	-2.84	-62.01
CCN(C(=O)C1=CSC([N-]C(C)=O)=N1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032985562	1	41	-1.0	-55.21	361.26	2.95	-52.26
CCN(C(=O)CCN1C=C[N-]C(=O)C1=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032985720	1	44	-1.0	-62.91	378.51	1.31	-61.60
CCN(C(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032985829	1	42	-1.0	-57.72	370.38	-2.65	-60.37
CCN(C(=O)C1=NNC(=O)[N-]C1=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032985943	0	37	-1.0	-60.46	325.92	-2.40	-62.86
CCN(C(=O)CN1C(=O)[N-]NC1=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032986060	0	39	-1.0	-60.89	342.56	-1.33	-62.22
CCN(C(=O)C1=CN([O-])C(=O)C=C1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032986918	0	39	-1.0	-81.85	333.05	3.99	-77.86
CCN(C(=O)C[N-]C(=O)C(F)(F)F)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032988011	0	38	-1.0	-52.35	344.68	-1.05	-53.40
CCN(C(=O)CC1=C([O-])N=C(N)S1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032988012	0	40	-1.0	-70.15	357.14	-0.51	-70.66
CCN(C(=O)CC1=NC([O-])=CS1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032988072	0	38	-1.0	-76.04	343.76	-1.08	-77.12
CCC1=NC=C(C(=O)N(CC)C2CN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300032988097	1	43	-1.0	-50.72	362.62	1.10	-49.62
CCN(C(=O)CN1N=CC(=O)[N-]C1=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032988109	0	40	-1.0	-64.30	352.89	-2.44	-66.74
CCN(C(=O)C1=C(Cl)C(=O)[N-]S1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032988186	0	35	-1.0	-66.31	326.01	1.24	-65.07
CCN(C(=O)C1=CN=C(COC)NC1=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032988293	0	44	-1.0	-51.81	375.55	-0.68	-52.49
CCN(C(=O)C1=CN=C(COC)[N-]C1=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032988293	1	44	-1.0	-51.81	375.55	-0.68	-52.49
CCN(C(=O)C1=N[N-]C(C)=CC1=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032988394	0	40	-1.0	-55.89	342.72	3.52	-52.37
CCN(C(=O)C1=NNC(=O)[N-]1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032988413	0	35	-1.0	-58.07	309.58	-1.69	-59.76
CCN(C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032988438	0	40	-1.0	-54.78	351.39	2.05	-52.73
CCN(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032988438	1	40	-1.0	-54.78	351.39	2.05	-52.73
CCN(C(=O)C1=CN=C(C=N[O-])S1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300032988576	0	38	-1.0	-78.68	343.39	1.38	-77.30
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=NC=CC=C2O)C1	REAL300032988855	0	38	-1.0	-73.64	326.36	3.35	-70.29
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300032988855	1	38	-1.0	-73.64	326.36	3.35	-70.29
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1	REAL300032988975	1	44	-1.0	-69.80	378.83	1.91	-67.89
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CSC([N-]C(C)=O)=N2)C1	REAL300032988987	1	41	-1.0	-56.19	364.61	1.43	-54.76
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300032989019	0	37	-1.0	-78.22	322.66	-1.38	-79.60
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C1	REAL300032989073	1	42	-1.0	-60.91	358.10	-1.14	-62.05
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300032989242	0	39	-1.0	-65.50	342.65	-0.70	-66.20
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)CCCN2C(=O)[N-]NC2=O)C1	REAL300032990232	0	45	-1.0	-72.06	381.16	1.48	-70.58
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300032990439	1	44	-1.0	-90.36	367.29	4.44	-85.92
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1	REAL300032991999	0	41	-1.0	-68.36	353.31	5.47	-62.89
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300032992064	0	36	-1.0	-74.20	311.41	0.67	-73.53
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300032992072	0	41	-1.0	-74.02	347.36	2.62	-71.40
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)CC2=CC(=O)N(C)[N-]2)C1	REAL300032992077	0	42	-1.0	-68.80	360.40	2.07	-66.73
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(N)=C(F)C([O-])=C2F)C1	REAL300032992130	0	41	-1.0	-71.29	355.97	0.81	-70.48
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CN=C(COC)[N-]C2=O)C1	REAL300032992138	1	44	-1.0	-87.90	369.38	2.03	-85.87
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(F)=CC(F)=C2[O-])C1	REAL300032992168	0	39	-1.0	-86.33	340.12	5.37	-80.96
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300032992198	0	39	-1.0	-86.93	333.34	5.05	-81.88
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300032992233	0	35	-1.0	-73.10	306.16	-0.45	-73.55
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300032992238	1	39	-1.0	-71.90	339.00	4.80	-67.10
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300032992246	0	39	-1.0	-90.38	343.58	3.60	-86.78
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300032992283	1	39	-1.0	-61.25	350.06	3.15	-58.10
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1	REAL300032992401	0	39	-1.0	-68.11	338.71	-0.71	-68.82
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300032992471	0	39	-1.0	-71.85	341.75	4.17	-67.68
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300032992478	1	39	-1.0	-66.98	335.58	4.38	-62.60
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=NC=CC(C)=C2[O-])C1	REAL300032992570	1	41	-1.0	-72.83	346.12	3.90	-68.93
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300032992741	1	38	-1.0	-59.20	324.43	0.94	-58.26
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300032992754	0	39	-1.0	-90.69	343.76	5.38	-85.31
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C1	REAL300032992910	1	41	-1.0	-70.37	356.13	2.26	-68.11
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300032992915	0	38	-1.0	-55.60	344.67	2.15	-53.45
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1	REAL300032994006	1	40	-1.0	-56.38	349.58	2.25	-54.13
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(=O)[N-]C(OC)=N2)C1	REAL300032994012	0	41	-1.0	-78.88	350.45	-1.06	-79.94
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1	REAL300032994014	0	41	-1.0	-83.95	345.58	3.61	-80.34
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300032994027	0	38	-1.0	-68.58	341.98	3.73	-64.85
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C1	REAL300032994033	1	42	-1.0	-66.46	373.99	4.35	-62.11
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300032994074	0	39	-1.0	-81.77	341.79	4.15	-77.62
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300032994085	0	38	-1.0	-70.80	322.43	2.61	-68.19
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300032994095	0	35	-1.0	-77.93	306.43	1.03	-76.90
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=NC([O-])=C(C)S2)C1	REAL300032994130	1	38	-1.0	-75.67	338.04	1.06	-74.61
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1	REAL300032994180	1	45	-1.0	-82.94	382.64	5.33	-77.61
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1	REAL300032994200	1	45	-1.0	-75.55	374.12	6.64	-68.91
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1	REAL300032994208	1	45	-1.0	-77.34	375.25	6.57	-70.77
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300032994258	1	41	-1.0	-72.03	349.76	4.01	-68.02
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300032994295	0	38	-1.0	-78.85	344.89	1.99	-76.86
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300032994330	1	38	-1.0	-69.84	341.07	4.08	-65.76
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CN=C(SC)[N-]C2=O)C1	REAL300032994356	1	41	-1.0	-89.27	357.63	3.32	-85.95
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300032994364	0	39	-1.0	-69.83	333.61	-0.58	-70.41
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(=O)N(CC)[N-]2)C1	REAL300032994446	0	42	-1.0	-63.19	359.23	2.39	-60.80
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300032994468	0	39	-1.0	-62.27	337.42	1.45	-60.82
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300032994485	0	39	-1.0	-59.82	353.31	-0.56	-60.38
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=C(C)NC(=O)[N-]C2=S)C1	REAL300032994487	1	41	-1.0	-64.22	367.09	0.80	-63.42
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1	REAL300032994558	1	44	-1.0	-65.36	377.27	3.43	-61.93
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300032994663	1	39	-1.0	-78.24	333.32	1.28	-76.96
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300032994669	1	39	-1.0	-76.32	331.95	3.69	-72.63
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300032994731	0	39	-1.0	-61.24	341.86	2.93	-58.31
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300032994737	0	38	-1.0	-87.81	336.45	4.32	-83.49
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)CC2=C(C)[N-]N(C)C2=O)C1	REAL300032994757	0	45	-1.0	-65.90	380.52	2.74	-63.16
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=NC=C(C)C=C2[O-])C1	REAL300032994806	1	41	-1.0	-90.21	344.50	4.90	-85.31
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1	REAL300032994820	0	40	-1.0	-62.58	364.15	0.89	-61.69
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC([O-])=CS2)C1	REAL300032994840	0	36	-1.0	-68.04	321.92	1.86	-66.18
CCN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300032994862	0	39	-1.0	-87.04	331.33	4.15	-82.89
O=C(C1=COC(=O)[N-]1)N1CCC2(CC1)CCN(C(=O)C1=NSNC1=O)CC2	REAL300032995982	1	45	-1.0	-52.02	354.05	1.61	-50.41
O=C(C1=CC(=O)N[N-]1)N1CCC2(CC1)CCN(C(=O)C1=NSNC1=O)CC2	REAL300032996064	0	46	-1.0	-52.05	358.67	1.47	-50.58
O=C(C1=NC(=O)N[N-]1)N1CCC2(CC1)CCN(C(=O)C1=NSNC1=O)CC2	REAL300032996135	0	45	-1.0	-52.00	353.91	0.76	-51.24
O=C(C1=COC(=O)[N-]1)N1CCC2(CC1)CCN(C(=O)C1=NSNC1=O)CC2	REAL300032996488	1	45	-1.0	-52.02	354.05	1.61	-50.41
O=C(C1=CC(=O)N[N-]1)N1CCC2(CC1)CCN(C(=O)C1=NSNC1=O)CC2	REAL300032996542	0	46	-1.0	-52.05	358.67	1.47	-50.58
O=C(C1=NC(=O)N[N-]1)N1CCC2(CC1)CCN(C(=O)C1=NSNC1=O)CC2	REAL300032996555	0	45	-1.0	-52.00	353.91	0.76	-51.24
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CCN(C(=O)C1=NSNC1=O)CC2	REAL300032996704	0	45	-1.0	-57.76	353.80	1.56	-56.20
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CCN(C(=O)C1=NSNC1=O)CC2	REAL300032996866	0	45	-1.0	-57.76	353.80	1.56	-56.20
CCN(CC1CCN(C(=O)C2=COC(=O)[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300032997560	1	44	-1.0	-61.87	360.14	2.46	-59.41
CCN(CC1CCN(C(=O)CC2=CC(=O)N[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300032997637	1	48	-1.0	-65.24	389.40	2.77	-62.47
CCN(CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300032997646	0	47	-1.0	-67.02	382.56	2.51	-64.51
CCN(CC1CCN(C(=O)C2=C[N-]N=CC2=O)CC1)C(=O)C1=NSNC1=O	REAL300032997675	0	46	-1.0	-55.07	370.96	3.74	-51.33
CCN(CC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300032997709	0	45	-1.0	-60.61	364.81	2.38	-58.23
CCN(CC1CCN(C(=O)C2=NC(=O)N[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300032997873	0	44	-1.0	-61.69	361.36	1.66	-60.03
CCN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=NC=CC=C1[O-]	REAL300032998164	1	47	-1.0	-75.66	377.79	6.15	-69.51
CCN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=COC(=O)[N-]1	REAL300032998631	1	44	-1.0	-57.52	361.15	2.87	-54.65
CCN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=C[N-]N=CC1=O	REAL300032998698	0	46	-1.0	-60.18	382.77	3.61	-56.57
CCN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC(=O)N[N-]1	REAL300032998755	0	45	-1.0	-61.76	366.05	2.25	-59.51
CCN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=NC(=O)N[N-]1	REAL300032998788	0	44	-1.0	-59.30	360.89	1.94	-57.36
CCN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CN=CC([O-])=C1	REAL300032998893	1	47	-1.0	-60.06	380.93	3.15	-56.91
CCN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300032998997	0	47	-1.0	-60.37	383.63	2.39	-57.98
CCN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC=NC=C1[O-]	REAL300032999117	0	47	-1.0	-72.96	385.63	3.49	-69.47
CCN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300032999119	0	44	-1.0	-59.62	362.61	2.18	-57.44
CCN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300032999201	0	48	-1.0	-64.65	388.87	3.95	-60.70
CCN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)CC1=CC(=O)N[N-]1	REAL300032999246	1	48	-1.0	-71.77	391.39	2.48	-69.29
CCN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC([O-])=CS1	REAL300032999289	0	45	-1.0	-77.09	368.40	3.54	-73.55
CCN(CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300032999346	0	48	-1.0	-63.08	389.39	3.99	-59.09
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NSNC1=O	REAL300032999449	0	44	-1.0	-61.75	360.15	2.45	-59.30
O=C(NC[C@@H]1CCCCN1C(=O)C1=NNC(=O)[N-]C1=O)C1=NSNC1=O	REAL300033000474	0	40	-1.0	-59.16	340.63	-2.43	-61.59
O=C(CN1C(=O)[N-]NC1=O)N1CCCC[C@H]1CNC(=O)C1=NSNC1=O	REAL300033000543	0	42	-1.0	-70.11	358.55	-1.68	-71.79
O=C(NC[C@@H]1CCCCN1C(=O)C1=CN([O-])C(=O)C=C1)C1=NSNC1=O	REAL300033001037	0	42	-1.0	-72.56	353.85	3.44	-69.12
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)NC([O-])=C1)C1=NSNC1=O	REAL300033001132	0	42	-1.0	-52.27	353.95	-1.49	-53.76
O=C(NC[C@@H]1CCCCN1C(=O)C1=COC(=O)[N-]1)C1=NSNC1=O	REAL300033001143	1	38	-1.0	-49.80	323.95	0.02	-49.78
CCN1[N-]C(C(=O)N2CCCC[C@H]2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300033001291	0	45	-1.0	-56.01	373.39	2.62	-53.39
O=C(CC1=CC(=O)N[N-]1)N1CCCC[C@H]1CNC(=O)C1=NSNC1=O	REAL300033001298	1	42	-1.0	-64.21	352.97	0.38	-63.83
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC=CC(=S)N1[O-])C1=NSNC1=O	REAL300033001313	0	42	-1.0	-60.97	362.88	4.37	-56.60
O=C(CC1SC(=O)[N-]C1=O)N1CCCC[C@H]1CNC(=O)C1=NSNC1=O	REAL300033001322	0	42	-1.0	-59.77	367.16	-2.07	-61.84
CN1N=C(C(=O)N2CCCC[C@H]2CNC(=O)C2=NSNC2=O)[N-]C1=O	REAL300033001335	0	41	-1.0	-60.48	346.30	0.15	-60.33
O=C(NC[C@@H]1CCCCN1C(=O)C1=C[N-]N=CC1=O)C1=NSNC1=O	REAL300033001414	0	40	-1.0	-45.13	336.64	1.43	-43.70
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)N[N-]1)C1=NSNC1=O	REAL300033001499	0	39	-1.0	-52.61	328.85	-0.03	-52.64
C[PH](C)([O-])C(=O)C(=O)N1CCCC[C@H]1CNC(=O)C1=NSNC1=O	REAL300033001503	0	44	-1.0	-52.98	368.04	0.87	-52.11
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC=CN([O-])C1=O)C1=NSNC1=O	REAL300033001533	0	42	-1.0	-60.69	351.66	3.32	-57.37
CC1SC(C(=O)N2CCCC[C@H]2CNC(=O)C2=NSNC2=O)=NC1=O	REAL300033001558	0	41	-1.0	-55.53	355.60	0.79	-54.74
CC1=C([O-])N=C(C(=O)N2CCCC[C@H]2CNC(=O)C2=NSNC2=O)S1	REAL300033001558	1	41	-1.0	-55.53	355.60	0.79	-54.74
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)C=C(Cl)N1)C1=NSNC1=O	REAL300033001570	0	41	-1.0	-50.73	360.72	3.35	-47.38
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=NSNC1=O	REAL300033001570	1	41	-1.0	-50.73	360.72	3.35	-47.38
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)N([O-])C=C1)C1=NSNC1=O	REAL300033001582	0	42	-1.0	-72.33	354.22	3.42	-68.91
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC=CC(=O)N1[O-])C1=NSNC1=O	REAL300033001611	0	42	-1.0	-58.92	351.77	3.73	-55.19
NC1=NC([O-])=C(CC(=O)N2CCCC[C@H]2CNC(=O)C2=NSNC2=O)S1	REAL300033001715	0	43	-1.0	-83.29	374.20	-2.18	-85.47
O=C(CC1=NC([O-])=CS1)N1CCCC[C@H]1CNC(=O)C1=NSNC1=O	REAL300033001753	0	41	-1.0	-78.55	358.78	-0.35	-78.90
CCC1=NC=C(C(=O)N2CCCC[C@H]2CNC(=O)C2=NSNC2=O)C(=O)N1	REAL300033001767	0	46	-1.0	-50.31	378.62	1.71	-48.60
CCC1=NC=C(C(=O)N2CCCC[C@H]2CNC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033001767	1	46	-1.0	-50.31	378.62	1.71	-48.60
CC1=CC(=O)C(C(=O)N2CCCC[C@H]2CNC(=O)C2=NSNC2=O)=N[N-]1	REAL300033001952	0	43	-1.0	-55.61	357.78	3.45	-52.16
O=C(NC[C@@H]1CCCCN1C(=O)C1=NC(=O)N[N-]1)C1=NSNC1=O	REAL300033001965	0	38	-1.0	-50.73	323.61	-0.66	-51.39
O=C(NC[C@@H]1CCCCN1C(=O)C1=CN=C(C=N[O-])S1)C1=NSNC1=O	REAL300033002053	0	41	-1.0	-68.68	365.65	0.58	-68.10
COC1=NC(C(=O)N2CCCC[C@H]2CNC(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300033002065	0	44	-1.0	-57.51	367.53	-1.52	-59.03
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=NC=CC=C1[O-]	REAL300033002317	1	41	-1.0	-77.75	340.99	3.17	-74.58
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=NNC(=O)[N-]C1=O	REAL300033002440	0	40	-1.0	-65.28	340.47	-2.34	-67.62
O=C(CN1C(=O)[N-]NC1=O)NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300033002600	0	42	-1.0	-66.77	354.49	-0.67	-67.44
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC(Cl)=CC=C1[O-]	REAL300033003919	1	42	-1.0	-72.86	360.49	5.40	-67.46
N#CC1=CC([O-])=CC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=NSNC2=O)=C1	REAL300033003944	1	43	-1.0	-54.70	366.88	3.62	-51.08
CCC1=NC=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033004027	1	46	-1.0	-61.62	373.72	2.16	-59.46
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300033004045	1	38	-1.0	-59.69	324.26	-1.27	-60.96
O=C(C[N-]C(=O)C(F)(F)F)NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300033004112	0	41	-1.0	-60.85	359.20	-0.42	-61.27
NC1=NC([O-])=C(CC(=O)NC[C@@H]2CCCCN2C(=O)C2=NSNC2=O)S1	REAL300033004113	0	43	-1.0	-86.18	370.44	-1.26	-87.44
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=C(F)C=C([O-])C=C1F	REAL300033004122	0	42	-1.0	-57.59	362.35	3.20	-54.39
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C([O-])C=C1F	REAL300033004137	1	42	-1.0	-62.94	350.41	3.35	-59.59
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC([O-])=CC(=O)O1	REAL300033004143	0	41	-1.0	-58.17	349.26	2.49	-55.68
N#CC1=CC=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=NSNC2=O)C=C1[O-]	REAL300033004150	1	43	-1.0	-66.54	366.08	3.69	-62.85
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC(Cl)=NC=C1[O-]	REAL300033004153	0	41	-1.0	-68.11	356.11	3.48	-64.63
O=C(CN1N=CC(=O)[N-]C1=O)NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300033004169	0	43	-1.0	-73.53	365.14	-1.81	-75.34
O=C(CCC1=NC(=O)[N-]N1)NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300033004231	1	44	-1.0	-65.43	365.01	-0.64	-66.07
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=C[N-]N=CC1=O	REAL300033004247	0	40	-1.0	-55.36	333.26	1.86	-53.50
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CC(F)=C1[O-]	REAL300033004256	0	42	-1.0	-81.60	350.18	4.94	-76.66
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CC([O-])=C1F	REAL300033004342	1	42	-1.0	-76.19	350.50	3.32	-72.87
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300033004440	0	39	-1.0	-61.39	329.04	-0.28	-61.67
C[PH](C)([O-])C(=O)C(=O)NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300033004446	0	44	-1.0	-59.49	362.02	1.03	-58.46
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)N([O-])C=C1	REAL300033004533	0	42	-1.0	-73.99	351.95	3.79	-70.20
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=NNC(=O)[N-]1	REAL300033004557	0	38	-1.0	-64.66	323.43	-1.74	-66.40
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=C(O)C=CC=C1Cl	REAL300033004560	0	42	-1.0	-70.13	366.78	2.73	-67.40
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=C([O-])C=CC=C1Cl	REAL300033004560	1	42	-1.0	-70.13	366.78	2.73	-67.40
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CN([O-])C1=O	REAL300033004564	0	42	-1.0	-69.56	348.81	3.87	-65.69
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=C(F)C=CC(O)=C1F	REAL300033004593	0	42	-1.0	-62.30	361.93	3.20	-59.10
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=C(F)C=CC([O-])=C1F	REAL300033004593	1	42	-1.0	-62.30	361.93	3.20	-59.10
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC(F)=CC=C1O	REAL300033004728	0	42	-1.0	-72.12	350.17	4.95	-67.17
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC(F)=CC=C1[O-]	REAL300033004728	1	42	-1.0	-72.12	350.17	4.95	-67.17
CC1=CC=NC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=NSNC2=O)=C1O	REAL300033004791	0	44	-1.0	-77.76	361.45	3.84	-73.92
CC1=CC=NC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=NSNC2=O)=C1[O-]	REAL300033004791	1	44	-1.0	-77.76	361.45	3.84	-73.92
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CN=CC(O)=C1	REAL300033004895	0	41	-1.0	-65.58	340.95	1.46	-64.12
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CN=CC([O-])=C1	REAL300033004895	1	41	-1.0	-65.58	340.95	1.46	-64.12
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CC(=S)N1[O-]	REAL300033004905	0	42	-1.0	-97.15	359.88	5.76	-91.39
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C([O-])C(Cl)=N1	REAL300033005012	0	41	-1.0	-55.75	359.40	2.00	-53.75
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C([O-])C=C1Cl	REAL300033005050	1	42	-1.0	-60.82	358.39	3.78	-57.04
O=C(CC1=NC([O-])=CS1)NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300033005061	0	41	-1.0	-80.18	355.63	-0.39	-80.57
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=C([O-])C=CC=C1F	REAL300033005076	1	42	-1.0	-68.64	355.81	3.20	-65.44
O=C(CN1[N-]C(=O)C=CC1=O)NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300033005078	0	44	-1.0	-67.68	370.90	0.28	-67.40
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C(F)C=C1[O-]	REAL300033005079	0	42	-1.0	-75.13	350.13	4.95	-70.18
CC1=CC=C(F)C([O-])=C1C(=O)NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300033005109	0	45	-1.0	-79.91	375.31	3.77	-76.14
O=C(CC1SC(=O)[N-]C1=O)NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300033005171	0	42	-1.0	-59.03	362.90	-1.16	-60.19
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C([O-])C(F)=C1F	REAL300033005196	0	42	-1.0	-64.42	356.54	3.43	-60.99
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CC(Cl)=C1[O-]	REAL300033005202	0	42	-1.0	-76.06	359.98	5.41	-70.65
CC1=CC(=O)C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=NSNC2=O)=N[N-]1	REAL300033005230	0	43	-1.0	-67.68	357.63	3.52	-64.16
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=CC(=O)N1[O-]	REAL300033005255	0	42	-1.0	-95.21	348.76	4.72	-90.49
N#CC1=CC=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033005283	0	42	-1.0	-54.68	358.57	1.67	-53.01
CN1N=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=NSNC2=O)[N-]C1=O	REAL300033005329	0	41	-1.0	-68.19	346.26	-0.08	-68.27
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=C(F)C=CC(O)=C1O	REAL300033005378	0	43	-1.0	-69.24	366.30	1.29	-67.95
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=C(F)C=CC(O)=C1[O-]	REAL300033005378	1	43	-1.0	-69.24	366.30	1.29	-67.95
N#CC1=CC=C([O-])C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=NSNC2=O)=C1	REAL300033005387	0	43	-1.0	-67.50	364.78	5.30	-62.20
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CN([O-])C(=O)NC1=O	REAL300033005470	0	42	-1.0	-59.78	354.72	1.44	-58.34
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C(F)C(O)=C1	REAL300033005521	0	42	-1.0	-71.90	352.34	3.31	-68.59
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C(F)C([O-])=C1	REAL300033005521	1	42	-1.0	-71.90	352.34	3.31	-68.59
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(F)(F)C(F)(F)F	REAL300033005531	0	37	-1.0	-59.05	330.52	2.05	-57.00
O=C([N-]C[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(F)(F)C(F)(F)F	REAL300033005531	1	37	-1.0	-59.05	330.52	2.05	-57.00
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C(Cl)C=C1O	REAL300033005539	0	42	-1.0	-75.09	360.45	5.41	-69.68
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C(Cl)C=C1[O-]	REAL300033005539	1	42	-1.0	-75.09	360.45	5.41	-69.68
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=NC(=O)[N-]C(=O)N1	REAL300033005606	0	40	-1.0	-58.89	342.03	-3.33	-62.22
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=NC(=O)NC(=O)[N-]1	REAL300033005606	1	40	-1.0	-56.10	342.85	-2.60	-58.70
NC1=NC=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033005660	1	42	-1.0	-61.41	347.70	0.61	-60.80
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C(F)C([O-])=C1F	REAL300033005693	0	42	-1.0	-74.70	356.50	3.40	-71.30
COC1=NC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300033005735	0	44	-1.0	-65.63	369.85	-2.26	-67.89
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=NC=CC(Cl)=C1[O-]	REAL300033005744	0	41	-1.0	-73.05	357.33	3.67	-69.38
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C(Cl)C([O-])=C1	REAL300033005782	0	42	-1.0	-68.04	362.14	3.80	-64.24
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=NC=C1[O-]	REAL300033005791	1	41	-1.0	-75.16	339.02	3.07	-72.09
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300033005797	0	38	-1.0	-63.19	323.83	0.19	-63.00
CC1=C([O-])N=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=NSNC2=O)S1	REAL300033005819	1	41	-1.0	-64.36	355.48	-0.14	-64.50
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=C([O-])C=C1	REAL300033005911	1	44	-1.0	-61.65	365.96	3.03	-58.62
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CN=C(C=N[O-])S1	REAL300033005930	0	41	-1.0	-67.70	364.31	1.32	-66.38
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300033005951	1	41	-1.0	-57.74	359.06	3.01	-54.73
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC(=O)NC([O-])=C1	REAL300033005971	0	42	-1.0	-56.91	352.19	-1.13	-58.04
CCN1[N-]C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300033006028	0	45	-1.0	-65.75	373.48	2.37	-63.38
CN1[N-]C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300033006047	0	42	-1.0	-64.63	351.75	1.44	-63.19
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300033006057	0	42	-1.0	-60.50	365.80	-0.43	-60.93
O=C(CC1=CC(=O)N[N-]1)NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O	REAL300033006184	1	42	-1.0	-68.48	349.49	0.36	-68.12
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=C([O-])C(F)=C1	REAL300033006189	1	42	-1.0	-63.92	352.30	3.34	-60.58
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC(F)=C([O-])C(F)=C1	REAL300033006235	0	42	-1.0	-61.65	358.31	3.42	-58.23
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC=NC(Cl)=C1[O-]	REAL300033006240	0	41	-1.0	-72.55	355.42	3.51	-69.04
CC1=C(CC(=O)NC[C@@H]2CCCCN2C(=O)C2=NSNC2=O)C(=O)N(C)[N-]1	REAL300033006255	0	48	-1.0	-67.55	392.55	2.73	-64.82
CC1=CN=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=NSNC2=O)C([O-])=C1	REAL300033006291	1	44	-1.0	-79.60	362.44	3.81	-75.79
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CC([O-])=CS1	REAL300033006312	0	39	-1.0	-69.26	338.14	2.20	-67.06
O=C(NC[C@@H]1CCCCN1C(=O)C1=NSNC1=O)C1=CN([O-])C(=O)C=C1	REAL300033006328	0	42	-1.0	-74.19	351.68	3.78	-70.41
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CCC1=NC=C(C(=O)N2CC3CC2(CNC(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300033011783	1	44	-1.0	-55.91	380.45	1.61	-54.30
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NC1=NC([O-])=C(CC(=O)N2CC3CC2(CNC(=O)C2=NSNC2=O)C3)S1	REAL300033011869	0	41	-1.0	-62.11	369.31	-1.32	-63.43
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CC1=CC=C([O-])C(C(=O)N2CC3CC2(CNC(=O)C2=NSNC2=O)C3)=N1	REAL300033011975	1	42	-1.0	-63.79	359.05	3.71	-60.08
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C[PH](C)([O-])C(=O)C(=O)N1CC2CC1(CNC(=O)C1=NSNC1=O)C2	REAL300033012178	0	42	-1.0	-50.34	358.42	0.90	-49.44
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CC1=CC=NC(C(=O)N2CC3CC2(CNC(=O)C2=NSNC2=O)C3)=C1O	REAL300033012492	0	42	-1.0	-62.28	357.78	3.81	-58.47
CC1=CC=NC(C(=O)N2CC3CC2(CNC(=O)C2=NSNC2=O)C3)=C1[O-]	REAL300033012492	1	42	-1.0	-62.28	357.78	3.81	-58.47
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O=C(NCC12CC(C1)CN2C(=O)C1=CN=CC([O-])=C1)C1=NSNC1=O	REAL300033012594	1	39	-1.0	-53.72	335.60	0.78	-52.94
O=C(NCC12CC(C1)CN2C(=O)C1=CC=CC(=S)N1[O-])C1=NSNC1=O	REAL300033012604	0	40	-1.0	-85.69	354.50	5.03	-80.66
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O=C(NCC12CC(C1)CN2C(=O)C1=CC=C(O)C=C1Cl)C1=NSNC1=O	REAL300033012747	0	40	-1.0	-56.05	357.82	3.14	-52.91
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O=C(NCC12CC(C1)CN2C(=O)C1=CC=CC(Cl)=C1[O-])C1=NSNC1=O	REAL300033012882	0	40	-1.0	-60.23	359.05	4.32	-55.91
CC1=CC(=O)C(C(=O)N2CC3CC2(CNC(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300033012906	0	41	-1.0	-56.73	355.45	3.18	-53.55
O=C(NCC12CC(C1)CN2C(=O)C1=CC=CC(=O)N1[O-])C1=NSNC1=O	REAL300033012925	0	40	-1.0	-82.50	343.38	4.00	-78.50
N#CC1=CC=C(C(=O)N2CC3CC2(CNC(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300033012947	0	40	-1.0	-52.46	365.13	1.22	-51.24
CN1N=C(C(=O)N2CC3CC2(CNC(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300033012991	0	39	-1.0	-60.52	344.58	-0.29	-60.81
N#CC1=CC=C([O-])C(C(=O)N2CC3CC2(CNC(=O)C2=NSNC2=O)C3)=C1	REAL300033013041	0	41	-1.0	-54.71	363.90	4.18	-50.53
O=C(NCC12CC(C1)CN2C(=O)C1=CN([O-])C(=O)NC1=O)C1=NSNC1=O	REAL300033013125	0	40	-1.0	-55.84	360.00	0.92	-54.92
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C(F)C(O)=C1)C1=NSNC1=O	REAL300033013170	0	40	-1.0	-67.91	346.82	2.62	-65.29
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C(F)C([O-])=C1)C1=NSNC1=O	REAL300033013170	1	40	-1.0	-67.91	346.82	2.62	-65.29
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C(Cl)C=C1O)C1=NSNC1=O	REAL300033013186	0	40	-1.0	-66.97	359.32	4.29	-62.68
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C(Cl)C=C1[O-])C1=NSNC1=O	REAL300033013186	1	40	-1.0	-66.97	359.32	4.29	-62.68
O=C(NCC12CC(C1)CN2C(=O)C1=NC(=O)[N-]C(=O)N1)C1=NSNC1=O	REAL300033013244	0	38	-1.0	-54.28	338.75	-3.00	-57.28
O=C(NCC12CC(C1)CN2C(=O)C1=NC(=O)NC(=O)[N-]1)C1=NSNC1=O	REAL300033013244	1	38	-1.0	-49.96	340.38	-2.35	-52.31
NC1=NC=C(C(=O)N2CC3CC2(CNC(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300033013293	1	40	-1.0	-56.28	353.82	-0.06	-56.34
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COC1=NC(C(=O)N2CC3CC2(CNC(=O)C2=NSNC2=O)C3)=CC(=O)[N-]1	REAL300033013368	0	42	-1.0	-59.12	366.51	-2.12	-61.24
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CC1=C([O-])N=C(C(=O)N2CC3CC2(CNC(=O)C2=NSNC2=O)C3)S1	REAL300033013437	1	39	-1.0	-58.32	352.94	0.07	-58.25
O=C(NCC12CC(C1)CN2C(=O)C(=O)C1=CC=C([O-])C=C1)C1=NSNC1=O	REAL300033013522	1	42	-1.0	-55.71	364.85	2.73	-52.98
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CCN1[N-]C(C(=O)NC2C3CCCN(C(=O)C4=NSNC4=O)C32)=CC1=O	REAL300033018416	0	43	-1.0	-53.60	371.54	1.63	-51.97
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C[PH](C)([O-])C(=O)C(=O)NC1C2CCCN(C(=O)C3=NSNC3=O)C21	REAL300033018671	0	42	-1.0	-58.37	352.64	1.29	-57.08
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CC1SC(C(=O)NC2C3CCCN(C(=O)C4=NSNC4=O)C32)=NC1=O	REAL300033018732	0	39	-1.0	-64.15	345.45	0.15	-64.00
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NC1=NC([O-])=C(CC(=O)NC2C3CCCN(C(=O)C4=NSNC4=O)C32)S1	REAL300033018930	0	41	-1.0	-69.08	361.94	-0.90	-69.98
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COC1=NC(C(=O)NC2C3CCCN(C(=O)C4=NSNC4=O)C32)=CC(=O)[N-]1	REAL300033019371	0	42	-1.0	-64.20	361.15	-1.92	-66.12
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CCC1=NC=C(C(=O)N2CCCC3C(NC(=O)C4=NSNC4=O)C32)C(=O)[N-]1	REAL300033021172	1	44	-1.0	-63.13	382.69	0.84	-62.29
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NC1=NC([O-])=C(CC(=O)N2CCCC3C(NC(=O)C4=NSNC4=O)C32)S1	REAL300033021258	0	41	-1.0	-79.16	372.34	-2.21	-81.37
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N#CC1=CC=C(C(=O)N2CCCC3C(NC(=O)C4=NSNC4=O)C32)C=C1[O-]	REAL300033021290	1	41	-1.0	-68.32	359.01	3.36	-64.96
O=C(NC1C2CCCN(C(=O)C3=CC(Cl)=NC=C3[O-])C21)C1=NSNC1=O	REAL300033021293	0	39	-1.0	-58.65	359.18	0.99	-57.66
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CC1=CC=C([O-])C(C(=O)N2CCCC3C(NC(=O)C4=NSNC4=O)C32)=N1	REAL300033021364	1	42	-1.0	-77.40	352.42	4.28	-73.12
O=C(NC1C2CCCN(C(=O)C3=C[N-]N=CC3=O)C21)C1=NSNC1=O	REAL300033021381	0	38	-1.0	-61.72	333.55	1.49	-60.23
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C[PH](C)([O-])C(=O)C(=O)N1CCCC2C(NC(=O)C3=NSNC3=O)C21	REAL300033021567	0	42	-1.0	-48.97	352.40	0.97	-48.00
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O=C(CC1=NC([O-])=CS1)N1CCCC2C(NC(=O)C3=NSNC3=O)C21	REAL300033022143	0	39	-1.0	-70.01	348.59	-0.44	-70.45
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCC2C(NC(=O)C3=NSNC3=O)C21	REAL300033022157	0	42	-1.0	-55.38	363.86	0.17	-55.21
O=C(NC1C2CCCN(C(=O)C3=CC=C(F)C=C3[O-])C21)C1=NSNC1=O	REAL300033022158	0	40	-1.0	-64.22	352.67	3.02	-61.20
O=C(CC1SC(=O)[N-]C1=O)N1CCCC2C(NC(=O)C3=NSNC3=O)C21	REAL300033022244	0	40	-1.0	-63.13	356.06	-1.04	-64.17
O=C(NC1C2CCCN(C(=O)C3=CC=C([O-])C(F)=C3F)C21)C1=NSNC1=O	REAL300033022264	0	40	-1.0	-64.59	352.59	3.08	-61.51
O=C(NC1C2CCCN(C(=O)C3=CC=CC(Cl)=C3[O-])C21)C1=NSNC1=O	REAL300033022271	0	40	-1.0	-75.70	355.87	4.03	-71.67
CC1=CC(=O)C(C(=O)N2CCCC3C(NC(=O)C4=NSNC4=O)C32)=N[N-]1	REAL300033022295	0	41	-1.0	-69.75	349.07	3.81	-65.94
O=C(NC1C2CCCN(C(=O)C3=CC=CC(=O)N3[O-])C21)C1=NSNC1=O	REAL300033022314	0	40	-1.0	-82.03	350.24	3.43	-78.60
N#CC1=CC=C(C(=O)N2CCCC3C(NC(=O)C4=NSNC4=O)C32)C(=O)[N-]1	REAL300033022336	0	40	-1.0	-58.23	367.47	0.32	-57.91
CN1N=C(C(=O)N2CCCC3C(NC(=O)C4=NSNC4=O)C32)[N-]C1=O	REAL300033022380	0	39	-1.0	-71.75	336.30	0.23	-71.52
N#CC1=CC=C([O-])C(C(=O)N2CCCC3C(NC(=O)C4=NSNC4=O)C32)=C1	REAL300033022430	0	41	-1.0	-68.00	355.29	4.71	-63.29
O=C(NC1C2CCCN(C(=O)C3=CN([O-])C(=O)NC3=O)C21)C1=NSNC1=O	REAL300033022514	0	40	-1.0	-57.47	352.99	0.22	-57.25
O=C(NC1C2CCCN(C(=O)C3=CC=C(F)C(O)=C3)C21)C1=NSNC1=O	REAL300033022559	0	40	-1.0	-73.37	345.06	2.97	-70.40
O=C(NC1C2CCCN(C(=O)C3=CC=C(F)C([O-])=C3)C21)C1=NSNC1=O	REAL300033022559	1	40	-1.0	-73.37	345.06	2.97	-70.40
O=C(NC1C2CCCN(C(=O)C3=CC=C(Cl)C=C3O)C21)C1=NSNC1=O	REAL300033022575	0	40	-1.0	-64.38	362.98	3.49	-60.89
O=C(NC1C2CCCN(C(=O)C3=CC=C(Cl)C=C3[O-])C21)C1=NSNC1=O	REAL300033022575	1	40	-1.0	-64.38	362.98	3.49	-60.89
O=C(NC1C2CCCN(C(=O)C3=NC(=O)[N-]C(=O)N3)C21)C1=NSNC1=O	REAL300033022633	0	38	-1.0	-65.27	331.98	-2.31	-67.58
O=C(NC1C2CCCN(C(=O)C3=NC(=O)NC(=O)[N-]3)C21)C1=NSNC1=O	REAL300033022633	1	38	-1.0	-44.47	331.90	-1.76	-46.23
NC1=NC=C(C(=O)N2CCCC3C(NC(=O)C4=NSNC4=O)C32)C(=O)[N-]1	REAL300033022682	1	40	-1.0	-70.17	348.00	0.18	-69.99
O=C(NC1C2CCCN(C(=O)C3=CC=C(F)C([O-])=C3F)C21)C1=NSNC1=O	REAL300033022714	0	40	-1.0	-73.90	352.58	3.06	-70.84
COC1=NC(C(=O)N2CCCC3C(NC(=O)C4=NSNC4=O)C32)=CC(=O)[N-]1	REAL300033022757	0	42	-1.0	-69.16	356.32	-1.46	-70.62
O=C(NC1C2CCCN(C(=O)C3=NC=CC(Cl)=C3[O-])C21)C1=NSNC1=O	REAL300033022763	0	39	-1.0	-71.83	347.00	4.20	-67.63
O=C(NC1C2CCCN(C(=O)C3=CC=C(Cl)C([O-])=C3)C21)C1=NSNC1=O	REAL300033022794	0	40	-1.0	-69.60	354.86	3.45	-66.15
O=C(NC1C2CCCN(C(=O)C3=CC=NC=C3[O-])C21)C1=NSNC1=O	REAL300033022802	0	39	-1.0	-64.41	341.17	1.08	-63.33
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=NSNC1=O	REAL300033022807	0	36	-1.0	-69.09	313.74	0.13	-68.96
CC1=C([O-])N=C(C(=O)N2CCCC3C(NC(=O)C4=NSNC4=O)C32)S1	REAL300033022826	1	39	-1.0	-72.30	347.04	0.82	-71.48
O=C(NC1C2CCCN(C(=O)C(=O)C3=CC=C([O-])C=C3)C21)C1=NSNC1=O	REAL300033022911	1	42	-1.0	-64.39	366.84	3.00	-61.39
O=C(NC1C2CCCN(C(=O)C3=CN=C(C=N[O-])S3)C21)C1=NSNC1=O	REAL300033022929	0	39	-1.0	-75.60	353.93	0.85	-74.75
O=C(NC1C2CCCN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C21)C1=NSNC1=O	REAL300033022949	1	39	-1.0	-59.62	348.81	3.56	-56.06
O=C(NC1C2CCCN(C(=O)C3=CC(=O)NC([O-])=C3)C21)C1=NSNC1=O	REAL300033022969	0	40	-1.0	-59.50	350.60	-1.22	-60.72
CCN1[N-]C(C(=O)N2CCCC3C(NC(=O)C4=NSNC4=O)C32)=CC1=O	REAL300033023026	0	43	-1.0	-68.22	363.29	2.71	-65.51
CN1[N-]C(C(=O)N2CCCC3C(NC(=O)C4=NSNC4=O)C32)=CC1=O	REAL300033023042	0	40	-1.0	-67.48	341.57	1.78	-65.70
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2C(NC(=O)C3=NSNC3=O)C21	REAL300033023051	0	40	-1.0	-64.08	360.33	-0.33	-64.41
O=C(CC1=CC(=O)N[N-]1)N1CCCC2C(NC(=O)C3=NSNC3=O)C21	REAL300033023161	1	40	-1.0	-74.22	344.02	0.41	-73.81
O=C(NC1C2CCCN(C(=O)C3=CC=C([O-])C(F)=C3)C21)C1=NSNC1=O	REAL300033023166	1	40	-1.0	-65.48	345.03	3.00	-62.48
O=C(NC1C2CCCN(C(=O)C3=CC(F)=C([O-])C(F)=C3)C21)C1=NSNC1=O	REAL300033023203	0	40	-1.0	-63.17	351.24	3.07	-60.10
O=C(NC1C2CCCN(C(=O)C3=CC=NC(Cl)=C3[O-])C21)C1=NSNC1=O	REAL300033023207	0	39	-1.0	-62.19	358.49	1.02	-61.17
CC1=C(CC(=O)N2CCCC3C(NC(=O)C4=NSNC4=O)C32)C(=O)N(C)[N-]1	REAL300033023221	0	46	-1.0	-72.58	386.77	2.83	-69.75
CC1=CN=C(C(=O)N2CCCC3C(NC(=O)C4=NSNC4=O)C32)C([O-])=C1	REAL300033023256	1	42	-1.0	-77.93	352.25	4.35	-73.58
O=C(NC1C2CCCN(C(=O)C3=CC([O-])=CS3)C21)C1=NSNC1=O	REAL300033023277	0	37	-1.0	-76.56	327.79	1.73	-74.83
O=C(NC1C2CCCN(C(=O)C3=CN([O-])C(=O)C=C3)C21)C1=NSNC1=O	REAL300033023290	0	40	-1.0	-72.30	350.25	3.66	-68.64
CN1[N-]C(C(=O)NC2C3CCCN(C(=O)C4=NSNC4=O)C32)=CC1=O	REAL300033023452	0	40	-1.0	-52.83	349.81	0.70	-52.13
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCN(C(=O)C3=NSNC3=O)C21	REAL300033023459	0	40	-1.0	-62.01	357.40	-0.12	-62.13
O=C(NC1C2CCCN(C(=O)C3=NSNC3=O)C21)C1=NC(=O)[N-]C(=O)N1	REAL300033023621	0	38	-1.0	-50.66	340.11	-4.07	-54.73
O=C(NC1C2CCCN(C(=O)C3=NSNC3=O)C21)C1=NC(=O)NC(=O)[N-]1	REAL300033023621	1	38	-1.0	-45.73	341.50	-3.26	-48.99
O=C(CN1[N-]C(=O)C=CC1=O)NC1C2CCCN(C(=O)C3=NSNC3=O)C21	REAL300033023772	0	42	-1.0	-58.88	369.89	-0.41	-59.29
O=C(NC1C2CCCN(C(=O)C3=NSNC3=O)C21)C1=CC(=O)[N-]O1	REAL300033023780	0	36	-1.0	-54.23	321.74	-0.53	-54.76
O=C(NC1C2CCCN(C(=O)C3=NSNC3=O)C21)C1=CN([O-])C(=O)NC1=O	REAL300033023793	0	40	-1.0	-50.03	352.98	0.72	-49.31
CCN1[N-]C(C(=O)N[C@H]2CCCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033025971	0	45	-1.0	-58.66	375.77	2.19	-56.47
O=C(CC1=CC(=O)N[N-]1)N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1	REAL300033025979	1	42	-1.0	-63.53	351.93	0.18	-63.35
O=C(N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=S)N1[O-]	REAL300033025997	0	42	-1.0	-88.52	362.40	5.66	-82.86
O=C(CC1SC(=O)[N-]C1=O)N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1	REAL300033026006	0	42	-1.0	-53.33	365.45	-1.30	-54.63
CN1N=C(C(=O)N[C@H]2CCCCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033026022	0	41	-1.0	-61.29	348.50	-0.24	-61.53
O=C(N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1)C1=C[N-]N=CC1=O	REAL300033026111	0	40	-1.0	-49.51	335.44	1.71	-47.80
O=C(N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300033026210	0	39	-1.0	-55.25	331.23	-0.45	-55.70
C[PH](C)([O-])C(=O)C(=O)N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1	REAL300033026215	0	44	-1.0	-54.05	364.13	0.86	-53.19
O=C(CCC1=NC(=O)NN1)N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1	REAL300033026242	0	44	-1.0	-71.05	368.82	-1.01	-72.06
O=C(CCC1=NC(=O)[N-]N1)N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1	REAL300033026242	1	44	-1.0	-71.05	368.82	-1.01	-72.06
O=C(N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CN([O-])C1=O	REAL300033026246	0	42	-1.0	-67.89	350.43	3.87	-64.02
CC1SC(C(=O)N[C@H]2CCCCN(C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300033026274	0	41	-1.0	-66.06	359.47	-0.55	-66.61
CC1=C([O-])N=C(C(=O)N[C@H]2CCCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300033026274	1	41	-1.0	-66.06	359.47	-0.55	-66.61
O=C(N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)N1	REAL300033026288	0	41	-1.0	-51.98	361.38	2.84	-49.14
O=C(N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300033026288	1	41	-1.0	-51.98	361.38	2.84	-49.14
O=C(N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N([O-])C=C1	REAL300033026305	0	42	-1.0	-72.23	354.22	3.62	-68.61
O=C(N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300033026338	0	42	-1.0	-85.16	351.29	4.62	-80.54
NC1=NC([O-])=C(CC(=O)N[C@H]2CCCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300033026461	0	43	-1.0	-76.17	372.54	-1.41	-77.58
O=C(CC1=NC([O-])=CS1)N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1	REAL300033026506	0	41	-1.0	-76.23	356.78	-0.44	-76.67
CCC1=NC=C(C(=O)N[C@H]2CCCCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300033026524	0	46	-1.0	-55.70	375.34	2.16	-53.54
CCC1=NC=C(C(=O)N[C@H]2CCCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033026524	1	46	-1.0	-55.70	375.34	2.16	-53.54
CC1=CC(=O)C(C(=O)N[C@H]2CCCCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033026735	0	43	-1.0	-71.95	361.63	3.11	-68.84
O=C(N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]1	REAL300033026750	0	38	-1.0	-58.40	325.74	-1.90	-60.30
O=C(N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300033026861	0	41	-1.0	-67.76	366.60	1.13	-66.63
O=C(N[C@H]1CCCCN(C(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300033027130	1	41	-1.0	-84.10	345.02	3.03	-81.07
O=C(N[C@H]1CCCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300033027253	0	40	-1.0	-58.36	342.48	-2.60	-60.96
O=C(CN1C(=O)[N-]NC1=O)N1CCCC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033027413	0	42	-1.0	-75.44	361.43	-1.34	-76.78
O=C(N[C@H]1CCCCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=NSNC1=O	REAL300033028732	1	42	-1.0	-58.60	369.14	3.30	-55.30
N#CC1=CC([O-])=CC(C(=O)N2CCCC[C@H](NC(=O)C3=NSNC3=O)C2)=C1	REAL300033028757	1	43	-1.0	-59.54	373.72	2.67	-56.87
CCC1=NC=C(C(=O)N2CCCC[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033028840	1	46	-1.0	-57.84	384.79	1.19	-56.65
O=C(N[C@H]1CCCCN(C(=O)C2=COC(=O)[N-]2)C1)C1=NSNC1=O	REAL300033028858	1	38	-1.0	-51.24	325.33	0.10	-51.14
O=C(C[N-]C(=O)C(F)(F)F)N1CCCC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033028925	0	41	-1.0	-66.47	365.88	-1.06	-67.53
NC1=NC([O-])=C(CC(=O)N2CCCC[C@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300033028926	0	43	-1.0	-89.63	377.15	-1.83	-91.46
O=C(N[C@H]1CCCCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=NSNC1=O	REAL300033028935	0	42	-1.0	-63.29	369.31	2.57	-60.72
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=NSNC1=O	REAL300033028950	1	42	-1.0	-69.07	360.69	2.43	-66.64
O=C(N[C@H]1CCCCN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=NSNC1=O	REAL300033028956	0	41	-1.0	-63.31	353.67	1.57	-61.74
N#CC1=CC=C(C(=O)N2CCCC[C@H](NC(=O)C3=NSNC3=O)C2)C=C1[O-]	REAL300033028963	1	43	-1.0	-62.02	366.72	2.65	-59.37
O=C(N[C@H]1CCCCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=NSNC1=O	REAL300033028966	0	41	-1.0	-54.40	364.39	1.24	-53.16
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033028982	0	43	-1.0	-80.77	371.83	-2.45	-83.22
CC1=CC=C([O-])C(C(=O)N2CCCC[C@H](NC(=O)C3=NSNC3=O)C2)=N1	REAL300033029042	1	44	-1.0	-84.99	366.62	3.61	-81.38
O=C(N[C@H]1CCCCN(C(=O)C2=C[N-]N=CC2=O)C1)C1=NSNC1=O	REAL300033029060	0	40	-1.0	-50.65	344.05	0.90	-49.75
O=C(N[C@H]1CCCCN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=NSNC1=O	REAL300033029069	0	42	-1.0	-72.80	353.43	2.39	-70.41
O=C(N[C@H]1CCCCN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=NSNC1=O	REAL300033029155	1	42	-1.0	-68.99	353.69	2.28	-66.71
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300033029253	0	39	-1.0	-65.39	332.59	-0.64	-66.03
C[PH](C)([O-])C(=O)C(=O)N1CCCC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033029259	0	44	-1.0	-65.31	362.18	1.14	-64.17
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=NSNC1=O	REAL300033029346	0	42	-1.0	-66.90	361.81	3.05	-63.85
O=C(N[C@H]1CCCCN(C(=O)C2=NC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300033029370	0	38	-1.0	-61.85	327.32	-1.24	-63.09
O=C(N[C@H]1CCCCN(C(=O)C2=C(O)C=CC=C2Cl)C1)C1=NSNC1=O	REAL300033029373	0	42	-1.0	-75.29	371.92	2.98	-72.31
O=C(N[C@H]1CCCCN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=NSNC1=O	REAL300033029373	1	42	-1.0	-75.29	371.92	2.98	-72.31
O=C(N[C@H]1CCCCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=NSNC1=O	REAL300033029377	0	42	-1.0	-72.25	359.74	3.00	-69.25
O=C(N[C@H]1CCCCN(C(=O)C2=C(F)C=CC(O)=C2F)C1)C1=NSNC1=O	REAL300033029406	0	42	-1.0	-71.68	369.22	2.55	-69.13
O=C(N[C@H]1CCCCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=NSNC1=O	REAL300033029406	1	42	-1.0	-71.68	369.22	2.55	-69.13
O=C(N[C@H]1CCCCN(C(=O)C2=CC(F)=CC=C2O)C1)C1=NSNC1=O	REAL300033029541	0	42	-1.0	-58.38	358.82	2.86	-55.52
O=C(N[C@H]1CCCCN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=NSNC1=O	REAL300033029541	1	42	-1.0	-58.38	358.82	2.86	-55.52
CC1=CC=NC(C(=O)N2CCCC[C@H](NC(=O)C3=NSNC3=O)C2)=C1O	REAL300033029604	0	44	-1.0	-83.58	365.35	3.72	-79.86
CC1=CC=NC(C(=O)N2CCCC[C@H](NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300033029604	1	44	-1.0	-83.58	365.35	3.72	-79.86
O=C(N[C@H]1CCCCN(C(=O)C2=CN=CC(O)=C2)C1)C1=NSNC1=O	REAL300033029708	0	41	-1.0	-62.85	347.57	0.51	-62.34
O=C(N[C@H]1CCCCN(C(=O)C2=CN=CC([O-])=C2)C1)C1=NSNC1=O	REAL300033029708	1	41	-1.0	-62.85	347.57	0.51	-62.34
O=C(N[C@H]1CCCCN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=NSNC1=O	REAL300033029718	0	42	-1.0	-89.77	373.42	3.41	-86.36
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=NSNC1=O	REAL300033029825	0	41	-1.0	-58.22	363.53	1.85	-56.37
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C(O)C=C2Cl)C1)C1=NSNC1=O	REAL300033029863	0	42	-1.0	-66.47	369.32	2.85	-63.62
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=NSNC1=O	REAL300033029863	1	42	-1.0	-66.47	369.32	2.85	-63.62
O=C(CC1=NC([O-])=CS1)N1CCCC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033029874	0	41	-1.0	-88.98	362.33	-0.96	-89.94
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033029891	0	44	-1.0	-75.73	377.61	-0.36	-76.09
O=C(CC1SC(=O)[N-]C1=O)N1CCCC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033029984	0	42	-1.0	-50.86	367.89	-1.72	-52.58
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=NSNC1=O	REAL300033030009	0	42	-1.0	-53.63	365.18	2.51	-51.12
O=C(N[C@H]1CCCCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300033030015	0	42	-1.0	-67.40	363.23	2.87	-64.53
CC1=CC(=O)C(C(=O)N2CCCC[C@H](NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033030043	0	43	-1.0	-56.62	359.64	3.26	-53.36
O=C(N[C@H]1CCCCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=NSNC1=O	REAL300033030068	0	42	-1.0	-87.87	362.31	2.78	-85.09
N#CC1=CC=C(C(=O)N2CCCC[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033030096	0	42	-1.0	-53.34	369.60	0.73	-52.61
CN1N=C(C(=O)N2CCCC[C@H](NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033030142	0	41	-1.0	-73.42	350.03	-0.50	-73.92
O=C(N[C@H]1CCCCN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C1=NSNC1=O	REAL300033030191	0	43	-1.0	-78.13	373.19	0.65	-77.48
O=C(N[C@H]1CCCCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=NSNC1=O	REAL300033030191	1	43	-1.0	-78.13	373.19	0.65	-77.48
N#CC1=CC=C([O-])C(C(=O)N2CCCC[C@H](NC(=O)C3=NSNC3=O)C2)=C1	REAL300033030200	0	43	-1.0	-55.17	374.71	3.18	-51.99
O=C(N[C@H]1CCCCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=NSNC1=O	REAL300033030283	0	42	-1.0	-55.67	365.25	0.40	-55.27
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C(F)C(O)=C2)C1)C1=NSNC1=O	REAL300033030334	0	42	-1.0	-66.63	352.76	2.26	-64.37
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=NSNC1=O	REAL300033030334	1	42	-1.0	-66.63	352.76	2.26	-64.37
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C(Cl)C=C2O)C1)C1=NSNC1=O	REAL300033030352	0	42	-1.0	-82.25	370.76	3.23	-79.02
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=NSNC1=O	REAL300033030352	1	42	-1.0	-82.25	370.76	3.23	-79.02
O=C(N[C@H]1CCCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300033030419	0	40	-1.0	-61.18	346.26	-3.09	-64.27
O=C(N[C@H]1CCCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300033030419	1	40	-1.0	-59.82	346.79	-2.34	-62.16
NC1=NC=C(C(=O)N2CCCC[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033030473	1	42	-1.0	-58.28	358.10	-0.46	-58.74
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1)C1=NSNC1=O	REAL300033030506	0	42	-1.0	-60.63	365.13	2.51	-58.12
COC1=NC(C(=O)N2CCCC[C@H](NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300033030548	0	44	-1.0	-57.50	360.49	-1.76	-59.26
O=C(N[C@H]1CCCCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300033030557	0	41	-1.0	-62.77	358.24	4.03	-58.74
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1)C1=NSNC1=O	REAL300033030595	0	42	-1.0	-62.57	362.56	2.75	-59.82
O=C(N[C@H]1CCCCN(C(=O)C2=CC=NC=C2[O-])C1)C1=NSNC1=O	REAL300033030604	0	41	-1.0	-61.74	347.95	0.78	-60.96
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NSNC1=O	REAL300033030610	0	38	-1.0	-68.64	327.48	-0.69	-69.33
CC1=C([O-])N=C(C(=O)N2CCCC[C@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300033030632	1	41	-1.0	-64.60	359.35	0.18	-64.42
O=C(N[C@H]1CCCCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=NSNC1=O	REAL300033030724	1	44	-1.0	-54.94	376.58	2.38	-52.56
O=C(N[C@H]1CCCCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=NSNC1=O	REAL300033030743	0	41	-1.0	-75.69	368.84	0.39	-75.30
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=NSNC1=O	REAL300033030764	1	41	-1.0	-49.17	360.68	3.21	-45.96
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=NSNC1=O	REAL300033030784	0	42	-1.0	-65.64	358.25	-2.00	-67.64
CCN1[N-]C(C(=O)N2CCCC[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033030841	0	45	-1.0	-69.45	377.10	1.98	-67.47
CN1[N-]C(C(=O)N2CCCC[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033030860	0	42	-1.0	-68.55	355.46	1.08	-67.47
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033030870	0	42	-1.0	-67.34	372.74	-1.01	-68.35
O=C(CC1=CC(=O)N[N-]1)N1CCCC[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033030997	1	42	-1.0	-77.85	356.42	-0.25	-78.10
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300033031002	1	42	-1.0	-59.71	352.73	2.31	-57.40
O=C(N[C@H]1CCCCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300033031048	0	42	-1.0	-54.30	365.13	2.53	-51.77
O=C(N[C@H]1CCCCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300033031053	0	41	-1.0	-57.09	365.23	1.29	-55.80
CC1=C(CC(=O)N2CCCC[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300033031068	0	48	-1.0	-78.49	399.24	2.16	-76.33
CC1=CN=C(C(=O)N2CCCC[C@H](NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300033031104	1	44	-1.0	-67.93	364.29	4.01	-63.92
O=C(N[C@H]1CCCCN(C(=O)C2=CC([O-])=CS2)C1)C1=NSNC1=O	REAL300033031125	0	39	-1.0	-65.97	336.73	1.06	-64.91
O=C(N[C@H]1CCCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=NSNC1=O	REAL300033031141	0	42	-1.0	-69.31	354.10	2.80	-66.51
CN1[N-]C(C(=O)N[C@H]2CCCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033031293	0	42	-1.0	-44.60	344.11	1.54	-43.06
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1	REAL300033031300	0	42	-1.0	-68.12	369.87	-0.84	-68.96
O=C(N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)[N-]C(=O)N1	REAL300033031449	0	40	-1.0	-61.81	346.03	-3.72	-65.53
O=C(N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)NC(=O)[N-]1	REAL300033031449	1	40	-1.0	-39.45	335.60	-2.46	-41.91
O=C(CN1[N-]C(=O)C=CC1=O)N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1	REAL300033031588	0	44	-1.0	-49.26	363.64	0.41	-48.85
O=C(N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300033031595	0	38	-1.0	-67.44	327.65	-0.18	-67.62
O=C(N[C@H]1CCCCN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)NC1=O	REAL300033031606	0	42	-1.0	-56.48	355.70	1.35	-55.13
O=C(NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2)C1=NNC(=O)[N-]C1=O	REAL300033032431	0	41	-1.0	-57.90	351.17	-2.25	-60.15
O=C(CN1C(=O)[N-]NC1=O)NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2	REAL300033032482	0	43	-1.0	-63.54	362.84	-0.79	-64.33
O=C(NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2)C1=CN([O-])C(=O)C=C1	REAL300033032862	0	43	-1.0	-67.01	362.15	3.89	-63.12
O=C(NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2)C1=CC(=O)NC([O-])=C1	REAL300033032941	0	43	-1.0	-54.65	360.12	-1.21	-55.86
O=C(NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2)C1=COC(=O)[N-]1	REAL300033032952	1	39	-1.0	-58.69	335.01	-1.16	-59.85
CCN1[N-]C(C(=O)NC2CC3CCC2N(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033033069	0	46	-1.0	-59.22	384.39	2.47	-56.75
O=C(CC1=CC(=O)N[N-]1)NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2	REAL300033033076	1	43	-1.0	-65.36	357.83	0.24	-65.12
CN1N=C(C(=O)NC2CC3CCC2N(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300033033099	0	42	-1.0	-61.12	357.09	0.02	-61.10
O=C(NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2)C1=C[N-]N=CC1=O	REAL300033033156	0	41	-1.0	-52.88	343.84	1.96	-50.92
O=C(NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2)C1=CC(=O)N[N-]1	REAL300033033221	0	40	-1.0	-55.95	339.84	-0.18	-56.13
C[PH](C)([O-])C(=O)C(=O)NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2	REAL300033033226	0	45	-1.0	-55.53	375.35	0.92	-54.61
O=C(CCC1=NC(=O)NN1)NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2	REAL300033033247	0	45	-1.0	-66.01	373.09	-0.73	-66.74
O=C(CCC1=NC(=O)[N-]N1)NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2	REAL300033033247	1	45	-1.0	-66.01	373.09	-0.73	-66.74
O=C(NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2)C1=CC=CN([O-])C1=O	REAL300033033250	0	43	-1.0	-73.81	359.82	4.05	-69.76
CC1SC(C(=O)NC2CC3CCC2N(C(=O)C2=NSNC2=O)C3)=NC1=O	REAL300033033271	0	42	-1.0	-65.48	366.38	-0.08	-65.56
CC1=C([O-])N=C(C(=O)NC2CC3CCC2N(C(=O)C2=NSNC2=O)C3)S1	REAL300033033271	1	42	-1.0	-65.48	366.38	-0.08	-65.56
O=C(NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2)C1=CC(=O)N([O-])C=C1	REAL300033033287	0	43	-1.0	-67.81	362.61	3.88	-63.93
O=C(NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2)C1=CC=CC(=O)N1[O-]	REAL300033033312	0	43	-1.0	-79.56	359.69	4.87	-74.69
O=C(CC1=NC([O-])=CS1)NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2	REAL300033033426	0	42	-1.0	-74.21	363.68	-0.48	-74.69
CC1=CC(=O)C(C(=O)NC2CC3CCC2N(C(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300033033580	0	44	-1.0	-59.99	368.37	3.58	-56.41
O=C(NC1CC2CCC1N(C(=O)C1=NSNC1=O)C2)C1=NC(=O)N[N-]1	REAL300033033590	0	39	-1.0	-57.41	334.44	-1.47	-58.88
O=C(NC1CC2CCC1N(C(=O)C1=NC=CC=C1O)C2)C1=NSNC1=O	REAL300033033932	0	42	-1.0	-60.07	351.64	3.51	-56.56
O=C(NC1CC2CCC1N(C(=O)C1=NC=CC=C1[O-])C2)C1=NSNC1=O	REAL300033033932	1	42	-1.0	-60.07	351.64	3.51	-56.56
O=C(NC1CC2CCC1N(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=NSNC1=O	REAL300033034030	0	41	-1.0	-53.13	351.02	-2.33	-55.46
O=C(CN1C(=O)[N-]NC1=O)N1CC2CCC1C(NC(=O)C1=NSNC1=O)C2	REAL300033034122	0	43	-1.0	-64.23	366.38	-1.04	-65.27
N#CC1=CC([O-])=CC(C(=O)N2CC3CCC2C(NC(=O)C2=NSNC2=O)C3)=C1	REAL300033034932	1	44	-1.0	-61.55	372.15	2.64	-58.91
O=C(NC1CC2CCC1N(C(=O)C1=COC(=O)[N-]1)C2)C1=NSNC1=O	REAL300033034999	1	39	-1.0	-48.31	334.83	-0.32	-48.63
O=C(NC1CC2CCC1N(C(=O)C1=CC=C([O-])C=C1F)C2)C1=NSNC1=O	REAL300033035068	1	43	-1.0	-52.03	364.82	2.80	-49.23
O=C(NC1CC2CCC1N(C(=O)C1=CC([O-])=CC(=O)O1)C2)C1=NSNC1=O	REAL300033035072	0	42	-1.0	-49.01	359.78	2.13	-46.88
N#CC1=CC=C(C(=O)N2CC3CCC2C(NC(=O)C2=NSNC2=O)C3)C=C1[O-]	REAL300033035075	1	44	-1.0	-55.76	371.85	2.70	-53.06
CC1=CC=C([O-])C(C(=O)N2CC3CCC2C(NC(=O)C2=NSNC2=O)C3)=N1	REAL300033035126	1	45	-1.0	-60.76	373.02	4.06	-56.70
O=C(NC1CC2CCC1N(C(=O)C1=C[N-]N=CC1=O)C2)C1=NSNC1=O	REAL300033035137	0	41	-1.0	-47.86	353.23	1.31	-46.55
O=C(NC1CC2CCC1N(C(=O)C1=CC=CC(F)=C1[O-])C2)C1=NSNC1=O	REAL300033035144	0	43	-1.0	-65.10	364.63	3.34	-61.76
O=C(NC1CC2CCC1N(C(=O)C1=CC=CC([O-])=C1F)C2)C1=NSNC1=O	REAL300033035208	1	43	-1.0	-60.67	364.93	2.82	-57.85
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)N[N-]1)C2)C1=NSNC1=O	REAL300033035280	0	40	-1.0	-48.45	339.90	-0.27	-48.72
C[PH](C)([O-])C(=O)C(=O)N1CC2CCC1C(NC(=O)C1=NSNC1=O)C2	REAL300033035285	0	45	-1.0	-47.09	372.57	0.88	-46.21
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CC1=CC(=O)C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=NSNC4=O)[C@H]2C3)=N[N-]1	REAL300033069471	0	41	-1.0	-64.80	355.39	2.69	-62.11
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NC1=NC=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=NSNC4=O)[C@H]2C3)C(=O)[N-]1	REAL300033069933	1	40	-1.0	-65.10	354.65	-0.76	-65.86
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CC1=C([O-])N=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=NSNC4=O)[C@H]2C3)S1	REAL300033070099	1	39	-1.0	-64.89	353.87	-0.55	-65.44
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CCN1[N-]C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=NSNC4=O)[C@H]2C3)=CC1=O	REAL300033070321	0	43	-1.0	-63.72	371.78	1.51	-62.21
CN1[N-]C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=NSNC4=O)[C@H]2C3)=CC1=O	REAL300033070342	0	40	-1.0	-62.80	349.95	0.57	-62.23
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O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(F)=C([O-])C(F)=C1)C2)C1=NSNC1=O	REAL300033070540	0	40	-1.0	-63.93	353.61	1.96	-61.97
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=NC(Cl)=C1[O-])C2)C1=NSNC1=O	REAL300033070545	0	39	-1.0	-67.47	355.63	1.51	-65.96
CC1=C(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=NSNC4=O)[C@H]2C3)C(=O)N(C)[N-]1	REAL300033070560	0	46	-1.0	-73.55	393.45	1.82	-71.73
CC1=CN=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=NSNC4=O)[C@H]2C3)C([O-])=C1	REAL300033070596	1	42	-1.0	-75.87	359.99	3.19	-72.68
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CN1[N-]C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033070800	0	40	-1.0	-61.20	349.77	0.64	-60.56
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O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=NSNC1=O)C2)C1=NC(=O)NC(=O)[N-]1	REAL300033070969	1	38	-1.0	-54.20	340.82	-3.38	-57.58
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O=C(NC1C2CCCCN(C(=O)C3=NSNC3=O)C21)C1=NNC(=O)[N-]C1=O	REAL300033071973	0	41	-1.0	-68.10	342.74	-0.56	-68.66
O=C(CN1C(=O)[N-]NC1=O)NC1C2CCCCN(C(=O)C3=NSNC3=O)C21	REAL300033072024	0	43	-1.0	-75.57	367.24	-0.14	-75.71
O=C(NC1C2CCCCN(C(=O)C3=NSNC3=O)C21)C1=CN([O-])C(=O)C=C1	REAL300033072404	0	43	-1.0	-82.43	363.64	4.39	-78.04
O=C(NC1C2CCCCN(C(=O)C3=NSNC3=O)C21)C1=CC(=O)NC([O-])=C1	REAL300033072483	0	43	-1.0	-60.48	354.02	0.71	-59.77
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CCN1[N-]C(C(=O)NC2C3CCCCN(C(=O)C4=NSNC4=O)C32)=CC1=O	REAL300033072611	0	46	-1.0	-55.15	376.82	3.74	-51.41
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CN1N=C(C(=O)NC2C3CCCCN(C(=O)C4=NSNC4=O)C32)[N-]C1=O	REAL300033072641	0	42	-1.0	-71.57	358.87	0.48	-71.09
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CC1SC(C(=O)N2CCCCC3C(NC(=O)C4=NSNC4=O)C32)=NC1=O	REAL300033075374	0	42	-1.0	-59.51	358.37	2.11	-57.40
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CCN1[N-]C(C(=O)N2CCCCC3C(NC(=O)C4=NSNC4=O)C32)=CC1=O	REAL300033075501	0	46	-1.0	-54.11	375.40	4.25	-49.86
CN1[N-]C(C(=O)N2CCCCC3C(NC(=O)C4=NSNC4=O)C32)=CC1=O	REAL300033075513	0	43	-1.0	-53.51	353.67	3.33	-50.18
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CN1[N-]C(C(=O)NC2C3CCCCN(C(=O)C4=NSNC4=O)C32)=CC1=O	REAL300033075749	0	43	-1.0	-54.44	355.10	2.81	-51.63
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O=C(NCC1CC2(CCN(C(=O)C3=NC(=O)N[N-]3)C2)CO1)C1=NSNC1=O	REAL300033077263	0	43	-1.0	-57.52	373.88	-2.78	-60.30
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CCN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC23CCC3)=CC1=O	REAL300033079384	0	46	-1.0	-54.04	373.69	3.13	-50.91
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CC1SC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC23CCC3)=NC1=O	REAL300033079586	0	42	-1.0	-59.05	355.48	1.25	-57.80
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CC1=CC=C([O-])C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C3(CCC3)C2)=N1	REAL300033081441	1	45	-1.0	-59.09	369.41	2.74	-56.35
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O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(F)=CC=C2O)CC12CCC2	REAL300033081778	0	43	-1.0	-55.37	355.60	4.08	-51.29
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(F)=CC=C2[O-])CC12CCC2	REAL300033081778	1	43	-1.0	-55.37	355.60	4.08	-51.29
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)C3(CCC3)C2)=C1O	REAL300033081820	0	45	-1.0	-58.28	366.55	3.07	-55.21
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)C3(CCC3)C2)=C1[O-]	REAL300033081820	1	45	-1.0	-58.28	366.55	3.07	-55.21
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O=C(CC1=NC([O-])=CS1)N1CCN(C(=O)C2=NSNC2=O)C2(CCC2)C1	REAL300033081973	0	42	-1.0	-70.59	358.93	-0.01	-70.60
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=C([O-])C=CC=C2F)CC12CCC2	REAL300033081984	0	43	-1.0	-55.39	358.68	3.60	-51.79
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C(F)C=C2[O-])CC12CCC2	REAL300033081985	0	43	-1.0	-58.66	355.57	4.12	-54.54
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C3(CCC3)C2)=N[N-]1	REAL300033082079	0	44	-1.0	-51.39	359.13	3.86	-47.53
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC12CCC2	REAL300033082094	0	43	-1.0	-65.86	351.81	4.04	-61.82
CN1N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C3(CCC3)C2)[N-]C1=O	REAL300033082140	0	42	-1.0	-54.59	345.45	0.54	-54.05
N#CC1=CC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C3(CCC3)C2)C([O-])=C1	REAL300033082173	0	44	-1.0	-56.57	369.97	4.48	-52.09
N#CC1=CC=C([O-])C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C3(CCC3)C2)=C1	REAL300033082179	0	44	-1.0	-52.81	365.55	4.91	-47.90
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC12CCC2	REAL300033082269	1	43	-1.0	-60.32	353.39	3.25	-57.07
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC12CCC2	REAL300033082319	0	41	-1.0	-45.38	342.13	-1.25	-46.63
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC12CCC2	REAL300033082319	1	41	-1.0	-45.38	342.13	-1.25	-46.63
NC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C3(CCC3)C2)C(=O)N1	REAL300033082355	0	43	-1.0	-45.62	348.06	0.35	-45.27
NC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C3(CCC3)C2)C(=O)[N-]1	REAL300033082355	1	43	-1.0	-45.62	348.06	0.35	-45.27
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CC1SC(C(=O)N2CCN(C(=O)C3=NSNC3=O)C3(CCC3)C2)=NC1=O	REAL300033082459	0	42	-1.0	-55.78	356.11	1.14	-54.64
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C3(CCC3)C2)S1	REAL300033082459	1	42	-1.0	-55.78	356.11	1.14	-54.64
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CCN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C3(CCC3)C2)=CC1=O	REAL300033082600	0	46	-1.0	-51.57	372.52	2.99	-48.58
CN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C3(CCC3)C2)=CC1=O	REAL300033082616	0	43	-1.0	-50.88	350.70	2.05	-48.83
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CC1=CN=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C3(CCC3)C2)C([O-])=C1	REAL300033082763	1	45	-1.0	-59.69	368.71	2.88	-56.81
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CN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC23CCC3)=CC1=O	REAL300033082884	0	43	-1.0	-53.43	352.34	2.20	-51.23
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CN1N=C(C(=O)N2CCCC(C3(NC(=O)C4=NSNC4=O)CC3)C2)[N-]C1=O	REAL300033086473	0	45	-1.0	-59.36	374.29	0.35	-59.01
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CN1[N-]C(C(=O)N2CCCC(C3(NC(=O)C4=NSNC4=O)CC3)C2)=CC1=O	REAL300033086693	0	46	-1.0	-54.70	374.65	1.70	-53.00
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CN1[N-]C(C(=O)NC2(C3CCCN(C(=O)C4=NSNC4=O)C3)CC2)=CC1=O	REAL300033086842	0	46	-1.0	-56.30	375.14	1.85	-54.45
O=C(NC1(C2CCCN(C(=O)C3=NSNC3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300033086951	0	42	-1.0	-57.09	347.14	0.64	-56.45
CC(C)(CN1CCN(C(=O)C2=NSNC2=O)CC1)NC(=O)C1=COC(=O)[N-]1	REAL300033087284	1	46	-1.0	-59.97	373.56	-1.63	-61.60
CC(C)(CN1CCN(C(=O)C2=NSNC2=O)CC1)NC(=O)C1=CC(=O)N[N-]1	REAL300033087362	0	47	-1.0	-58.21	378.40	-0.63	-58.84
CC(C)(CN1CCN(C(=O)C2=NSNC2=O)CC1)NC(=O)C1=NC(=O)N[N-]1	REAL300033087430	0	46	-1.0	-59.70	373.00	-1.91	-61.61
CC(C)(CN1CCN(C(=O)C2=COC(=O)[N-]2)CC1)NC(=O)C1=NSNC1=O	REAL300033087771	1	46	-1.0	-46.27	372.83	-0.64	-46.91
CC(C)(CN1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)NC(=O)C1=NSNC1=O	REAL300033087823	0	47	-1.0	-48.75	378.97	-0.64	-49.39
CC(C)(CN1CCN(C(=O)C2=NC(=O)N[N-]2)CC1)NC(=O)C1=NSNC1=O	REAL300033087833	0	46	-1.0	-47.44	373.57	-1.24	-48.68
CC(C)(CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=NSNC1=O	REAL300033087978	0	46	-1.0	-53.59	374.01	-0.73	-54.32
CC(C)(CN1CCN(C(=O)C2=NSNC2=O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300033088132	0	46	-1.0	-63.06	373.14	-0.14	-63.20
O=C(NCC1CC2(CCC2)CN1C(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300033088835	1	42	-1.0	-56.14	363.38	-0.91	-57.05
O=C(CC1=CC(=O)N[N-]1)NCC1CC2(CCC2)CN1C(=O)C1=NSNC1=O	REAL300033088913	1	46	-1.0	-67.52	389.92	0.69	-66.83
CN1N=C(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=NSNC2=O)[N-]C1=O	REAL300033088922	0	45	-1.0	-63.29	385.46	0.30	-62.99
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O=C(NCC1CC2(CCC2)CN1C(=O)C1=NC(=O)N[N-]1)C1=NSNC1=O	REAL300033090092	0	42	-1.0	-60.25	363.73	-0.74	-60.99
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CN=CC([O-])=C1)C1=NSNC1=O	REAL300033090200	1	45	-1.0	-55.90	374.37	1.97	-53.93
CN1N=C(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=NSNC2=O)[N-]C1=O	REAL300033090308	0	45	-1.0	-67.96	386.40	0.22	-67.74
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O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=NSNC1=O	REAL300033090441	0	42	-1.0	-64.01	363.95	0.20	-63.81
CN1[N-]C(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300033090528	0	46	-1.0	-63.92	391.70	1.74	-62.18
O=C(CC1=CC(=O)N[N-]1)N1CC2(CCC2)CC1CNC(=O)C1=NSNC1=O	REAL300033090574	1	46	-1.0	-67.92	392.23	0.51	-67.41
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC([O-])=CS1)C1=NSNC1=O	REAL300033090618	0	43	-1.0	-62.41	371.18	2.71	-59.70
CN1[N-]C(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=NSNC2=O)=CC1=O	REAL300033090677	0	46	-1.0	-60.53	387.17	2.33	-58.20
O=C(NCC1CC2(CCC2)CN1C(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300033090786	0	42	-1.0	-59.07	359.10	1.12	-57.95
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2)C1=NSNC1=O	REAL300033091274	1	42	-1.0	-66.14	376.44	0.50	-65.64
O=C(CCCN1C(=O)[N-]NC1=O)N1C[C@@H]2C[C@]2(NC(=O)C2=NSNC2=O)C1	REAL300033091953	0	43	-1.0	-65.46	381.83	-1.42	-66.88
O=C(CCC1=NNC(=O)[N-]C1=O)N1C[C@@H]2C[C@]2(NC(=O)C2=NSNC2=O)C1	REAL300033092182	0	41	-1.0	-62.19	369.44	-4.16	-66.35
CC(=O)[N-]C1=NC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=NSNC3=O)C2)=CS1	REAL300033092183	1	39	-1.0	-51.17	360.32	-0.16	-51.33
O=C(CCN1C=C[N-]C(=O)C1=O)N1C[C@@H]2C[C@]2(NC(=O)C2=NSNC2=O)C1	REAL300033092352	1	42	-1.0	-65.30	375.30	-0.02	-65.32
COC1=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300033092470	1	40	-1.0	-59.91	356.71	-2.95	-62.86
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=NSNC1=O	REAL300033092594	0	35	-1.0	-63.31	321.64	-4.09	-67.40
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H]2C[C@]2(NC(=O)C2=NSNC2=O)C1	REAL300033092718	0	37	-1.0	-66.52	339.04	-2.64	-69.16
CCN1[N-]C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033094068	0	40	-1.0	-60.58	354.78	0.65	-59.93
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=NSNC2=O)C1	REAL300033094076	1	37	-1.0	-68.61	334.35	-1.58	-70.19
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC=CC(=S)N1[O-])C2)C1=NSNC1=O	REAL300033094100	0	37	-1.0	-69.21	342.23	2.36	-66.85
O=C(CC1SC(=O)[N-]C1=O)N1C[C@@H]2C[C@]2(NC(=O)C2=NSNC2=O)C1	REAL300033094115	0	37	-1.0	-57.22	347.90	-3.06	-60.28
CN1N=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033094134	0	36	-1.0	-63.78	328.34	-1.74	-65.52
O=C(N[C@]12C[C@H]1CN(C(=O)C1=C[N-]N=CC1=O)C2)C1=NSNC1=O	REAL300033094259	0	35	-1.0	-56.86	324.21	-0.42	-57.28
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2)C1=NSNC1=O	REAL300033094299	0	39	-1.0	-71.99	349.19	-0.08	-72.07
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)N[N-]1)C2)C1=NSNC1=O	REAL300033094401	0	34	-1.0	-56.74	310.23	-2.00	-58.74
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=NSNC2=O)C1	REAL300033094406	0	39	-1.0	-58.55	349.44	-0.89	-59.44
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC=CN([O-])C1=O)C2)C1=NSNC1=O	REAL300033094455	0	37	-1.0	-80.02	340.59	1.69	-78.33
CSC1=NC=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300033094476	0	39	-1.0	-65.70	366.68	-0.58	-66.28
CSC1=NC=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033094476	1	39	-1.0	-65.70	366.68	-0.58	-66.28
CC1SC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=NSNC3=O)C2)=NC1=O	REAL300033094501	0	36	-1.0	-58.57	336.96	-1.32	-59.89
CC1=C([O-])N=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=NSNC3=O)C2)S1	REAL300033094501	1	36	-1.0	-58.57	336.96	-1.32	-59.89
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)C=C(Cl)N1)C2)C1=NSNC1=O	REAL300033094522	0	36	-1.0	-53.29	340.23	1.54	-51.75
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2)C1=NSNC1=O	REAL300033094522	1	36	-1.0	-53.29	340.23	1.54	-51.75
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=NSNC1=O	REAL300033094547	0	37	-1.0	-68.74	341.27	1.72	-67.02
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC=CC(=O)N1[O-])C2)C1=NSNC1=O	REAL300033094608	0	37	-1.0	-67.29	331.13	1.64	-65.65
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H]2C[C@]2(NC(=O)C2=NSNC2=O)C1	REAL300033094784	0	36	-1.0	-57.37	343.81	-2.35	-59.72
NC1=NC([O-])=C(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=NSNC3=O)C2)S1	REAL300033094785	0	38	-1.0	-77.02	354.70	-3.17	-80.19
O=C(CC1=NC([O-])=CS1)N1C[C@@H]2C[C@]2(NC(=O)C2=NSNC2=O)C1	REAL300033094850	0	36	-1.0	-78.55	340.17	-2.31	-80.86
CCC1=NC=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300033094877	0	41	-1.0	-64.98	365.36	-0.09	-65.07
CCC1=NC=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033094877	1	41	-1.0	-64.98	365.36	-0.09	-65.07
O=C(N[C@]12C[C@H]1CN(C(=O)C1=C(Cl)C(=O)[N-]S1)C2)C1=NSNC1=O	REAL300033094972	0	33	-1.0	-58.50	326.01	-1.35	-59.85
COCC1=NC=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300033095085	0	42	-1.0	-65.19	378.29	-1.85	-67.04
COCC1=NC=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033095085	1	42	-1.0	-65.19	378.29	-1.85	-67.04
CC1=CC(=O)C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033095192	0	38	-1.0	-62.46	338.84	1.79	-60.67
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NNC(=O)[N-]1)C2)C1=NSNC1=O	REAL300033095211	0	33	-1.0	-60.53	304.83	-3.47	-64.00
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C2)C1=NSNC1=O	REAL300033095236	0	38	-1.0	-55.93	355.33	0.69	-55.24
O=C(N[C@]12C[C@H]1CN(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C2)C1=NSNC1=O	REAL300033095236	1	38	-1.0	-55.93	355.33	0.69	-55.24
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CN=C(C=N[O-])S1)C2)C1=NSNC1=O	REAL300033095378	0	36	-1.0	-69.91	344.23	-1.07	-70.98
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=NC=CC=C1O	REAL300033095658	0	36	-1.0	-75.47	322.40	1.44	-74.03
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=NC=CC=C1[O-]	REAL300033095658	1	36	-1.0	-75.47	322.40	1.44	-74.03
O=C(CCN1C=CNC(=O)C1=O)N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2	REAL300033095782	0	42	-1.0	-73.62	371.94	0.32	-73.30
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2	REAL300033095782	1	42	-1.0	-73.62	371.94	0.32	-73.30
CC(=O)NC1=NC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=NSNC2=O)C3)=CS1	REAL300033095794	0	39	-1.0	-56.79	360.45	-0.34	-57.13
CC(=O)[N-]C1=NC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=NSNC2=O)C3)=CS1	REAL300033095794	1	39	-1.0	-56.79	360.45	-0.34	-57.13
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=NNC(=O)[N-]C1=O	REAL300033095829	0	35	-1.0	-67.27	321.79	-4.03	-71.30
COC1=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=NSNC2=O)C3)NC(=O)NC1=O	REAL300033095885	0	40	-1.0	-65.61	355.48	-2.71	-68.32
COC1=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=NSNC2=O)C3)NC(=O)[N-]C1=O	REAL300033095885	1	40	-1.0	-65.61	355.48	-2.71	-68.32
O=C(CN1C(=O)[N-]NC1=O)N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2	REAL300033096066	0	37	-1.0	-69.63	335.81	-2.31	-71.94
O=C(CCCN1C(=O)[N-]NC1=O)N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2	REAL300033097130	0	43	-1.0	-68.59	378.50	-1.10	-69.69
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CN=C(C2CC2)[N-]C1=O	REAL300033097353	1	42	-1.0	-59.73	366.80	1.25	-58.48
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300033099008	0	39	-1.0	-72.44	353.48	3.45	-68.99
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC(=O)N[N-]1	REAL300033099075	0	34	-1.0	-61.62	310.24	-1.90	-63.52
C[PH](C)([O-])C(=O)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2	REAL300033099083	0	39	-1.0	-62.48	349.14	-0.62	-63.10
CN1[N-]C(CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033099088	0	40	-1.0	-74.00	353.55	0.46	-73.54
NC1=CC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=NSNC2=O)C3)=C(F)C([O-])=C1F	REAL300033099144	0	39	-1.0	-80.52	352.14	-0.27	-80.79
COCC1=NC=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300033099152	1	42	-1.0	-59.71	368.28	-1.09	-60.80
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC(F)=CC(F)=C1[O-]	REAL300033099182	0	37	-1.0	-73.10	337.74	3.32	-69.78
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC(=O)N([O-])C=C1	REAL300033099214	0	37	-1.0	-79.72	333.52	2.20	-77.52
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=NC(=O)N[N-]1	REAL300033099249	0	33	-1.0	-60.57	305.19	-3.17	-63.74
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=C([O-])C=CC=C1Cl	REAL300033099254	1	37	-1.0	-65.35	346.51	1.97	-63.38
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC=CN([O-])C1=O	REAL300033099262	0	37	-1.0	-69.32	330.47	2.38	-66.94
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=C(F)C=CC([O-])=C1F	REAL300033099300	1	37	-1.0	-64.13	343.34	1.55	-62.58
NC1=CC(=O)[N-]C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=NSNC2=O)C3)=N1	REAL300033099425	0	37	-1.0	-71.67	334.40	-2.46	-74.13
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC=C([O-])C(Cl)=C1	REAL300033099498	0	37	-1.0	-63.58	343.47	2.23	-61.35
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC(F)=CC=C1[O-]	REAL300033099505	1	37	-1.0	-72.46	331.76	3.26	-69.20
CC1=CC=NC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=NSNC2=O)C3)=C1[O-]	REAL300033099600	1	39	-1.0	-75.67	342.61	2.16	-73.51
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC=C(Cl)C(F)=C1[O-]	REAL300033099660	0	37	-1.0	-78.12	347.37	3.73	-74.39
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CN=CC([O-])=C1	REAL300033099783	1	36	-1.0	-68.98	322.52	-0.14	-69.12
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC=CC(=S)N1[O-]	REAL300033099796	0	37	-1.0	-100.77	341.45	4.14	-96.63
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=C([O-])C2=CC=CC=C2C=N1	REAL300033100967	1	42	-1.0	-80.12	367.66	3.79	-76.33
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=C(Cl)C(=O)[N-]S1	REAL300033100968	0	33	-1.0	-62.49	327.84	-0.59	-63.08
NC1=NC=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300033100992	1	37	-1.0	-59.14	328.66	-0.98	-60.12
CC1=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=NSNC2=O)C3)[N-]C(=O)C(C#N)=C1	REAL300033101026	0	40	-1.0	-54.84	360.08	0.79	-54.05
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC=C(F)C([O-])=C1F	REAL300033101051	0	37	-1.0	-79.19	337.74	1.77	-77.42
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC(F)=C([O-])C(Cl)=C1	REAL300033101110	0	37	-1.0	-62.23	349.31	2.26	-59.97
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300033101116	1	38	-1.0	-59.84	347.14	1.15	-58.69
COC1=NC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=NSNC2=O)C3)=CC(=O)[N-]1	REAL300033101122	0	39	-1.0	-66.79	350.91	-3.88	-70.67
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC=C2N[N-]N=C2C1=O	REAL300033101125	0	39	-1.0	-73.38	344.99	1.53	-71.85
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=NC=CC(Cl)=C1[O-]	REAL300033101138	0	36	-1.0	-71.93	338.49	1.98	-69.95
O=C(CC1=CC=C([O-])C(Cl)=C1)N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2	REAL300033101144	1	40	-1.0	-74.88	367.54	2.87	-72.01
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC=C(Cl)C([O-])=C1	REAL300033101185	0	37	-1.0	-71.59	343.51	2.20	-69.39
O=C([N-][C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C(F)(F)C(F)F	REAL300033101187	1	32	-1.0	-55.23	304.99	0.40	-54.83
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC=NC=C1[O-]	REAL300033101196	1	36	-1.0	-75.72	320.45	1.36	-74.36
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC(=O)[N-]O1	REAL300033101206	0	33	-1.0	-65.29	305.23	-1.37	-66.66
CC1=C([O-])N=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=NSNC2=O)C3)S1	REAL300033101241	1	36	-1.0	-65.37	336.77	-1.78	-67.15
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=C([O-])C=CC2=CC=CC=C21	REAL300033101292	1	43	-1.0	-82.36	375.96	3.74	-78.62
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=C([O-])C2=CC=CC=C2C=C1	REAL300033101312	1	43	-1.0	-81.24	370.28	5.54	-75.70
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC2=CC=CC=C2C=C1[O-]	REAL300033101320	1	43	-1.0	-85.91	370.71	5.46	-80.45
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C(=O)C1=CC=C([O-])C=C1	REAL300033101372	1	39	-1.0	-64.21	347.55	1.49	-62.72
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CN=C(C=N[O-])S1	REAL300033101410	0	36	-1.0	-73.06	345.61	-0.32	-73.38
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC(=O)C=C(Cl)[N-]1	REAL300033101446	1	36	-1.0	-58.27	340.39	1.39	-56.88
CSC1=NC=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300033101472	1	39	-1.0	-58.90	356.97	0.15	-58.75
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC(=O)NC([O-])=C1	REAL300033101481	0	37	-1.0	-59.86	333.35	-2.74	-62.60
CCN1[N-]C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033101564	0	40	-1.0	-65.39	354.78	0.74	-64.65
CN1[N-]C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033101586	0	37	-1.0	-64.42	332.97	-0.19	-64.61
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300033101600	1	40	-1.0	-83.37	356.05	0.17	-83.20
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2	REAL300033101604	0	37	-1.0	-65.25	347.51	-2.05	-67.30
CC1=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=NSNC2=O)C3)C(=S)[N-]C(=O)N1	REAL300033101606	1	39	-1.0	-84.90	360.98	-0.79	-85.69
O=C(CC1=CC(=O)N[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2	REAL300033101786	1	37	-1.0	-72.03	330.79	-1.26	-73.29
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC=C([O-])C(F)=C1	REAL300033101792	1	37	-1.0	-67.90	333.68	1.75	-66.15
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC(F)=C([O-])C(F)=C1	REAL300033101855	0	37	-1.0	-66.17	339.85	1.79	-64.38
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=CC=NC(Cl)=C1[O-]	REAL300033101861	0	36	-1.0	-74.72	336.14	1.82	-72.90
CC1=C(CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=NSNC2=O)C3)C(=O)N(C)[N-]1	REAL300033101882	0	43	-1.0	-77.56	373.59	1.15	-76.41
CC1=CN=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=NSNC2=O)C3)C([O-])=C1	REAL300033101932	1	39	-1.0	-77.51	343.73	2.10	-75.41
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NSNC1=O)C2)C1=C(O)C=CC(Cl)=C1[O-]	REAL300033101947	0	38	-1.0	-62.84	357.42	-0.71	-63.55
O=C(C1=NSNC1=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=NC=CC=C2[O-])C1	REAL300033104137	1	45	-1.0	-63.68	357.90	5.18	-58.50
O=C(C1=NSNC1=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=COC(=O)[N-]2)C1	REAL300033104612	1	42	-1.0	-51.36	340.53	1.63	-49.73
O=C(C1=NSNC1=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=C[N-]N=CC2=O)C1	REAL300033104683	0	44	-1.0	-49.81	359.20	3.02	-46.79
O=C(C1=NSNC1=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)N[N-]2)C1	REAL300033104742	0	43	-1.0	-50.47	344.53	1.48	-48.99
O=C(C1=NSNC1=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=NC(=O)N[N-]2)C1	REAL300033104776	0	42	-1.0	-50.98	340.06	0.91	-50.07
O=C(C1=NSNC1=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CN=CC([O-])=C2)C1	REAL300033104884	1	45	-1.0	-53.21	359.11	2.64	-50.57
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300033106186	0	41	-1.0	-59.12	368.43	-7.45	-66.57
O=C(CN1C(=O)[N-]NC1=O)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C[C@H]1O	REAL300033106230	0	43	-1.0	-61.37	382.84	-5.77	-67.14
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CN([O-])C(=O)C=C2)C1)C1=NSNC1=O	REAL300033106567	0	43	-1.0	-73.04	379.82	-1.30	-74.34
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)NC([O-])=C2)C1)C1=NSNC1=O	REAL300033106639	0	43	-1.0	-52.69	379.95	-6.21	-58.90
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C[C@H]1O)C1=COC(=O)[N-]1	REAL300033106649	1	39	-1.0	-52.51	352.05	-6.37	-58.88
CCN1[N-]C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C[C@H]2O)=CC1=O	REAL300033106753	0	46	-1.0	-57.41	401.73	-2.74	-60.15
O=C(CC1=CC(=O)N[N-]1)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C[C@H]1O	REAL300033106760	1	43	-1.0	-64.31	377.86	-4.73	-69.04
CN1N=C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C[C@H]2O)[N-]C1=O	REAL300033106778	0	42	-1.0	-60.14	373.95	-5.12	-65.26
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=C[N-]N=CC2=O)C1)C1=NSNC1=O	REAL300033106828	0	41	-1.0	-45.86	361.43	-3.21	-49.07
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C[C@H]1O)C1=CC(=O)N[N-]1	REAL300033106883	0	40	-1.0	-53.93	357.19	-5.39	-59.32
C[PH](C)([O-])C(=O)C(=O)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C[C@H]1O	REAL300033106888	0	45	-1.0	-53.36	389.60	-4.05	-57.41
O=C(CCC1=NC(=O)NN1)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C[C@H]1O	REAL300033106906	0	45	-1.0	-64.58	393.27	-5.74	-70.32
O=C(CCC1=NC(=O)[N-]N1)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C[C@H]1O	REAL300033106906	1	45	-1.0	-64.58	393.27	-5.74	-70.32
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC=CN([O-])C2=O)C1)C1=NSNC1=O	REAL300033106908	0	43	-1.0	-62.45	377.42	-1.14	-63.59
CC1SC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C[C@H]2O)=NC1=O	REAL300033106925	0	42	-1.0	-58.50	382.18	-4.76	-63.26
CC1=C([O-])N=C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C[C@H]2O)S1	REAL300033106925	1	42	-1.0	-58.50	382.18	-4.76	-63.26
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)N([O-])C=C2)C1)C1=NSNC1=O	REAL300033106939	0	43	-1.0	-73.20	380.20	-1.31	-74.51
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC=CC(=O)N2[O-])C1)C1=NSNC1=O	REAL300033106959	0	43	-1.0	-87.71	377.35	-0.30	-88.01
O=C(CC1=NC([O-])=CS1)NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C[C@H]1O	REAL300033107058	0	42	-1.0	-74.11	383.37	-5.46	-79.57
CC1=CC(=O)C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C[C@H]2O)=N[N-]1	REAL300033107194	0	44	-1.0	-57.32	385.92	-1.56	-58.88
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C[C@H]1O)C1=NNC(=O)[N-]1	REAL300033107203	0	39	-1.0	-57.98	349.89	-6.32	-64.30
O=C(NC[C@H]1C[C@H](NC(=O)C2=NC=CC=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300033107532	1	42	-1.0	-65.00	368.76	-1.88	-66.88
O=C(NC[C@H]1C[C@H](NC(=O)C2=NNC(=O)[N-]C2=O)C[C@H]1O)C1=NSNC1=O	REAL300033107622	0	41	-1.0	-58.39	368.44	-7.44	-65.83
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=NSNC2=O)C1	REAL300033107703	0	43	-1.0	-59.76	382.54	-5.77	-65.53
O=C(NC[C@H]1C[C@H](NC(=O)C2=COC(=O)[N-]2)C[C@H]1O)C1=NSNC1=O	REAL300033108467	1	39	-1.0	-51.81	351.88	-6.31	-58.12
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=C([O-])C=C2F)C[C@H]1O)C1=NSNC1=O	REAL300033108528	1	43	-1.0	-62.65	377.77	-1.82	-64.47
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC([O-])=CC(=O)O2)C[C@H]1O)C1=NSNC1=O	REAL300033108531	0	42	-1.0	-57.30	376.58	-2.67	-59.97
O=C(CCC1=NC(=O)[N-]N1)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=NSNC2=O)C1	REAL300033108576	1	45	-1.0	-67.21	392.19	-5.77	-72.98
O=C(NC[C@H]1C[C@H](NC(=O)C2=C[N-]N=CC2=O)C[C@H]1O)C1=NSNC1=O	REAL300033108585	0	41	-1.0	-47.06	361.14	-3.30	-50.36
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=CC(F)=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300033108592	0	43	-1.0	-74.99	377.96	-0.26	-75.25
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=CC([O-])=C2F)C[C@H]1O)C1=NSNC1=O	REAL300033108643	1	43	-1.0	-73.02	378.28	-1.87	-74.89
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)N[N-]2)C[C@H]1O)C1=NSNC1=O	REAL300033108704	0	40	-1.0	-52.77	356.70	-5.32	-58.09
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=NSNC2=O)C1	REAL300033108709	0	45	-1.0	-54.91	389.74	-4.10	-59.01
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)N([O-])C=C2)C[C@H]1O)C1=NSNC1=O	REAL300033108754	0	43	-1.0	-76.29	379.28	-1.38	-77.67
O=C(NC[C@H]1C[C@H](NC(=O)C2=NNC(=O)[N-]2)C[C@H]1O)C1=NSNC1=O	REAL300033108768	0	39	-1.0	-56.41	351.19	-6.78	-63.19
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=CN([O-])C2=O)C[C@H]1O)C1=NSNC1=O	REAL300033108771	0	43	-1.0	-65.11	376.44	-1.21	-66.32
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(F)=CC=C2O)C[C@H]1O)C1=NSNC1=O	REAL300033108865	0	43	-1.0	-67.41	377.51	-0.24	-67.65
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(F)=CC=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300033108865	1	43	-1.0	-67.41	377.51	-0.24	-67.65
CC1=CC=NC(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)=C1O	REAL300033108905	0	45	-1.0	-64.51	389.08	-1.19	-65.70
CC1=CC=NC(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300033108905	1	45	-1.0	-64.51	389.08	-1.19	-65.70
O=C(NC[C@H]1C[C@H](NC(=O)C2=CN=CC([O-])=C2)C[C@H]1O)C1=NSNC1=O	REAL300033108959	1	42	-1.0	-61.39	369.21	-3.65	-65.04
O=C(CC1=NC([O-])=CS1)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=NSNC2=O)C1	REAL300033109031	0	42	-1.0	-77.80	382.73	-5.50	-83.30
O=C(NC[C@H]1C[C@H](NC(=O)C2=C([O-])C=CC=C2F)C[C@H]1O)C1=NSNC1=O	REAL300033109041	1	43	-1.0	-59.82	382.16	-1.38	-61.20
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=C(F)C=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300033109042	0	43	-1.0	-71.53	377.49	-0.23	-71.76
CC1=CC(=O)C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033109124	0	44	-1.0	-55.68	385.63	-1.57	-57.25
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=CC(=O)N2[O-])C[C@H]1O)C1=NSNC1=O	REAL300033109138	0	43	-1.0	-89.40	377.14	-0.40	-89.80
CN1N=C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033109179	0	42	-1.0	-59.35	374.03	-5.12	-64.47
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=C(F)C([O-])=C2)C[C@H]1O)C1=NSNC1=O	REAL300033109288	1	43	-1.0	-71.78	379.48	-1.86	-73.64
O=C(NC[C@H]1C[C@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)C[C@H]1O)C1=NSNC1=O	REAL300033109330	0	41	-1.0	-51.37	370.68	-7.75	-59.12
O=C(NC[C@H]1C[C@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)C[C@H]1O)C1=NSNC1=O	REAL300033109330	1	41	-1.0	-51.37	370.68	-7.75	-59.12
NC1=NC=C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300033109364	0	43	-1.0	-54.50	374.64	-4.57	-59.07
NC1=NC=C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033109364	1	43	-1.0	-54.50	374.64	-4.57	-59.07
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=NC=C2O)C[C@H]1O)C1=NSNC1=O	REAL300033109436	0	42	-1.0	-68.86	367.02	-2.13	-70.99
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=NC=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300033109436	1	42	-1.0	-68.86	367.02	-2.13	-70.99
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=NSNC1=O	REAL300033109441	0	39	-1.0	-57.22	351.45	-4.84	-62.06
CC1SC(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)=NC1=O	REAL300033109455	0	42	-1.0	-58.66	383.71	-5.25	-63.91
CC1=C([O-])N=C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)S1	REAL300033109455	1	42	-1.0	-58.66	383.71	-5.25	-63.91
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)NC([O-])=C2)C[C@H]1O)C1=NSNC1=O	REAL300033109544	0	43	-1.0	-52.38	379.99	-6.20	-58.58
CCN1[N-]C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033109581	0	46	-1.0	-56.02	399.95	-2.21	-58.23
CN1[N-]C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033109596	0	43	-1.0	-57.69	379.72	-3.75	-61.44
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O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=C(O)C(F)=C2)C[C@H]1O)C1=NSNC1=O	REAL300033109676	0	43	-1.0	-64.28	379.44	-1.81	-66.09
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=C([O-])C(F)=C2)C[C@H]1O)C1=NSNC1=O	REAL300033109676	1	43	-1.0	-64.28	379.44	-1.81	-66.09
CC1=CN=C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)C(O)=C1	REAL300033109729	0	45	-1.0	-66.34	390.21	-1.24	-67.58
CC1=CN=C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300033109729	1	45	-1.0	-66.34	390.21	-1.24	-67.58
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=NSNC2=O)C1)C1=CC([O-])=CS1	REAL300033109740	0	40	-1.0	-67.60	365.49	-2.99	-70.59
O=C(NC[C@H]1C[C@H](NC(=O)C2=CN([O-])C(=O)C=C2)C[C@H]1O)C1=NSNC1=O	REAL300033109751	0	43	-1.0	-76.13	378.91	-1.36	-77.49
CN1[N-]C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=NSNC3=O)C[C@H]2O)=CC1=O	REAL300033109839	0	43	-1.0	-56.55	379.92	-3.68	-60.23
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300033109920	0	41	-1.0	-55.79	370.31	-8.43	-64.22
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300033109920	1	41	-1.0	-50.38	369.20	-7.17	-57.55
O=C(NC[C@H]1C[C@H](NC(=O)C2=NSNC2=O)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300033110011	0	39	-1.0	-58.15	351.95	-4.88	-63.03
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCC12CCC2)C1=COC(=O)[N-]1	REAL300033110777	1	45	-1.0	-60.77	367.83	-0.64	-61.41
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCC12CCC2)C1=CC(=O)N[N-]1	REAL300033110859	0	46	-1.0	-57.57	372.71	0.34	-57.23
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCC12CCC2)C1=NC(=O)N[N-]1	REAL300033110930	0	45	-1.0	-59.58	365.70	-1.04	-60.62
O=C(NCC1CN(C(=O)C2=COC(=O)[N-]2)CCC12CCC2)C1=NSNC1=O	REAL300033111283	1	45	-1.0	-47.97	365.77	0.38	-47.59
O=C(NCC1CN(C(=O)C2=CC(=O)N[N-]2)CCC12CCC2)C1=NSNC1=O	REAL300033111337	0	46	-1.0	-48.66	372.00	0.38	-48.28
O=C(NCC1CN(C(=O)C2=NC(=O)N[N-]2)CCC12CCC2)C1=NSNC1=O	REAL300033111350	0	45	-1.0	-47.20	365.32	-0.31	-47.51
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2)C1=NSNC1=O	REAL300033111499	0	45	-1.0	-53.38	365.58	0.35	-53.03
O=C(NCC1CN(C(=O)C2=NSNC2=O)CCC12CCC2)C1=CC(=O)[N-]O1	REAL300033111661	0	45	-1.0	-61.24	366.55	0.58	-60.66
O=C(NCC1CC2COCC2N1C(=O)C1=NC=CC=C1[O-])C1=NSNC1=O	REAL300033112959	1	43	-1.0	-73.57	363.76	1.58	-71.99
O=C(NCC1CC2COCC2N1C(=O)C1=COC(=O)[N-]1)C1=NSNC1=O	REAL300033113426	1	40	-1.0	-58.87	346.42	-1.96	-60.83
O=C(NCC1CC2COCC2N1C(=O)C1=C[N-]N=CC1=O)C1=NSNC1=O	REAL300033113493	0	42	-1.0	-43.48	346.07	-0.18	-43.66
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)N[N-]1)C1=NSNC1=O	REAL300033113550	0	41	-1.0	-61.34	351.06	-2.45	-63.79
O=C(NCC1CC2COCC2N1C(=O)C1=NC(=O)N[N-]1)C1=NSNC1=O	REAL300033113583	0	40	-1.0	-61.24	346.69	-2.90	-64.14
O=C(NCC1CC2COCC2N1C(=O)C1=CN=CC([O-])=C1)C1=NSNC1=O	REAL300033113688	1	43	-1.0	-57.42	353.63	-0.82	-58.24
CN1N=C(C(=O)N2C(CNC(=O)C3=NSNC3=O)CC3COCC32)[N-]C1=O	REAL300033113792	0	43	-1.0	-69.73	369.39	-2.33	-72.06
O=C(NCC1CC2COCC2N1C(=O)C1=CC=NC=C1[O-])C1=NSNC1=O	REAL300033113912	0	43	-1.0	-60.63	352.03	0.62	-60.01
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1=NSNC1=O	REAL300033113914	0	40	-1.0	-67.13	346.23	-2.47	-69.60
CN1[N-]C(C(=O)N2C(CNC(=O)C3=NSNC3=O)CC3COCC32)=CC1=O	REAL300033113996	0	44	-1.0	-63.68	373.26	-0.71	-64.39
O=C(CC1=CC(=O)N[N-]1)N1C(CNC(=O)C2=NSNC2=O)CC2COCC21	REAL300033114041	1	44	-1.0	-60.23	374.32	-1.00	-61.23
O=C(NCC1CC2COCC2N1C(=O)C1=CC([O-])=CS1)C1=NSNC1=O	REAL300033114084	0	41	-1.0	-71.47	356.95	-0.63	-72.10
CN1[N-]C(C(=O)NCC2CC3COCC3N2C(=O)C2=NSNC2=O)=CC1=O	REAL300033114141	0	44	-1.0	-50.42	370.46	-0.69	-51.11
O=C(NCC1CC2COCC2N1C(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300033114244	0	40	-1.0	-53.42	342.21	-1.88	-55.30
CC(C)(C)C[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300033114617	1	47	-1.0	-58.11	389.69	0.08	-58.03
CC(C)(C)C[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300033114696	0	48	-1.0	-53.31	392.71	0.45	-52.86
CC(C)(C)C[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300033114765	0	47	-1.0	-55.02	387.49	-0.31	-55.33
CC(C)(C)C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=COC(=O)[N-]1	REAL300033115107	1	47	-1.0	-46.60	389.58	-0.59	-47.19
CC(C)(C)C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300033115160	0	48	-1.0	-46.75	392.49	0.54	-46.21
CC(C)(C)C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300033115170	0	47	-1.0	-45.93	388.97	-0.92	-46.85
CC(C)(C)C[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300033115316	0	47	-1.0	-51.07	387.67	0.98	-50.09
CC(C)(C)C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=NSNC1=O	REAL300033115472	0	47	-1.0	-63.88	387.10	0.53	-63.35
O=C(N[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@H]1C1CC1)C1=NSNC1=O	REAL300033116248	0	41	-1.0	-61.61	365.00	-2.37	-63.98
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033116299	0	43	-1.0	-56.14	382.76	-0.87	-57.01
O=C(N[C@@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@H]1C1CC1)C1=NSNC1=O	REAL300033116679	0	43	-1.0	-70.39	384.39	3.42	-66.97
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@H]1C1CC1)C1=NSNC1=O	REAL300033116758	0	43	-1.0	-57.92	384.16	-1.48	-59.40
O=C(N[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1C1CC1)C1=NSNC1=O	REAL300033116769	1	39	-1.0	-59.35	347.77	-0.17	-59.52
CCN1[N-]C(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033116886	0	46	-1.0	-54.57	397.37	2.36	-52.21
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033116893	1	43	-1.0	-58.03	377.68	0.17	-57.86
CN1N=C(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033116916	0	42	-1.0	-58.60	371.27	-0.06	-58.66
O=C(N[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1C1CC1)C1=NSNC1=O	REAL300033116973	0	41	-1.0	-51.60	367.71	1.34	-50.26
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1C1CC1)C1=NSNC1=O	REAL300033117038	0	40	-1.0	-55.42	353.22	-0.03	-55.45
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033117043	0	45	-1.0	-53.46	387.07	0.86	-52.60
CN1[N-]C(CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033117045	0	46	-1.0	-60.20	400.44	1.89	-58.31
O=C(CCC1=NC(=O)[N-]N1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033117064	1	45	-1.0	-66.46	393.68	-0.88	-67.34
O=C(N[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@H]1C1CC1)C1=NSNC1=O	REAL300033117067	0	43	-1.0	-75.13	383.12	3.37	-71.76
CC1=C([O-])N=C(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300033117088	1	42	-1.0	-62.73	379.37	0.38	-62.35
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@H]1C1CC1)C1=NSNC1=O	REAL300033117104	0	43	-1.0	-65.90	376.62	3.20	-62.70
O=C(N[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@H]1C1CC1)C1=NSNC1=O	REAL300033117129	0	43	-1.0	-72.52	384.26	3.40	-69.12
O=C(CC1=NC([O-])=CS1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033117243	0	42	-1.0	-67.15	383.53	-0.53	-67.68
CC1=CC(=O)C(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033117397	0	44	-1.0	-60.95	381.28	3.74	-57.21
O=C(N[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1C1CC1)C1=NSNC1=O	REAL300033117407	0	39	-1.0	-55.07	348.58	-1.02	-56.09
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=NC=CC=C1[O-]	REAL300033117749	1	42	-1.0	-57.64	365.59	3.19	-54.45
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=NNC(=O)[N-]C1=O	REAL300033117847	0	41	-1.0	-52.39	364.60	-2.29	-54.68
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1	REAL300033117939	0	43	-1.0	-51.98	378.84	-0.37	-52.35
N#CC1=CC([O-])=CC(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C2CC2)=C1	REAL300033118749	1	44	-1.0	-46.15	390.90	3.70	-42.45
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=COC(=O)[N-]1	REAL300033118816	1	39	-1.0	-47.13	347.83	-0.97	-48.10
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=CC=C([O-])C=C1F	REAL300033118885	1	43	-1.0	-53.51	374.61	3.41	-50.10
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=CC([O-])=CC(=O)O1	REAL300033118889	0	42	-1.0	-49.25	374.91	2.50	-46.75
N#CC1=CC=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C2CC2)C=C1[O-]	REAL300033118892	1	44	-1.0	-58.51	390.69	3.72	-54.79
O=C(CCC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1	REAL300033118944	0	45	-1.0	-52.12	389.53	0.00	-52.12
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=C[N-]N=CC1=O	REAL300033118954	0	41	-1.0	-39.53	357.36	2.21	-37.32
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=CC=CC(F)=C1[O-]	REAL300033118961	0	43	-1.0	-64.60	374.60	4.97	-59.63
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=CC=CC([O-])=C1F	REAL300033119025	1	43	-1.0	-64.55	374.93	3.36	-61.19
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=CC(=O)N[N-]1	REAL300033119097	0	40	-1.0	-47.42	353.55	-0.21	-47.63
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1	REAL300033119102	0	45	-1.0	-47.14	385.34	1.12	-46.02
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=CC(=O)N([O-])C=C1	REAL300033119152	0	43	-1.0	-68.35	376.57	3.83	-64.52
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=NC(=O)N[N-]1	REAL300033119169	0	39	-1.0	-46.58	347.66	-1.50	-48.08
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=CC=CN([O-])C1=O	REAL300033119174	0	43	-1.0	-57.29	373.26	4.04	-53.25
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=CC(F)=CC=C1O	REAL300033119280	0	43	-1.0	-55.36	374.78	4.95	-50.41
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=CC(F)=CC=C1[O-]	REAL300033119280	1	43	-1.0	-55.36	374.78	4.95	-50.41
CC1=CC=NC(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C2CC2)=C1O	REAL300033119322	0	45	-1.0	-56.73	385.42	3.91	-52.82
CC1=CC=NC(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C2CC2)=C1[O-]	REAL300033119322	1	45	-1.0	-56.73	385.42	3.91	-52.82
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=CN=CC(O)=C1	REAL300033119382	0	42	-1.0	-52.83	365.84	1.51	-51.32
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=CN=CC([O-])=C1	REAL300033119382	1	42	-1.0	-52.83	365.84	1.51	-51.32
O=C(CC1=NC([O-])=CS1)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1	REAL300033119475	0	42	-1.0	-67.99	380.09	-0.31	-68.30
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=C(O)C=CC=C1F	REAL300033119486	0	43	-1.0	-54.18	379.57	3.28	-50.90
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=C([O-])C=CC=C1F	REAL300033119486	1	43	-1.0	-54.18	379.57	3.28	-50.90
CC1=CC(=O)C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C2CC2)=N[N-]1	REAL300033119581	0	44	-1.0	-49.30	381.39	3.80	-45.50
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=CC=CC(=O)N1[O-]	REAL300033119596	0	43	-1.0	-79.07	373.64	4.85	-74.22
CN1N=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C2CC2)[N-]C1=O	REAL300033119642	0	42	-1.0	-53.40	370.81	-0.02	-53.42
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NC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C2CC2)C(=O)[N-]1	REAL300033119857	1	43	-1.0	-45.02	371.47	0.66	-44.36
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=CC=NC=C1[O-]	REAL300033119940	1	42	-1.0	-55.01	362.95	3.11	-51.90
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300033119945	0	39	-1.0	-52.19	347.40	0.50	-51.69
CC1=C([O-])N=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C2CC2)S1	REAL300033119961	1	42	-1.0	-53.22	380.33	-0.11	-53.33
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CCN1[N-]C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C2CC2)=CC1=O	REAL300033120102	0	46	-1.0	-50.34	397.60	2.43	-47.91
CN1[N-]C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C2CC2)=CC1=O	REAL300033120118	0	43	-1.0	-49.54	375.78	1.50	-48.04
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CC1=CN=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C2CC2)C([O-])=C1	REAL300033120265	1	45	-1.0	-57.28	387.31	3.86	-53.42
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CN1[N-]C(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033120386	0	43	-1.0	-61.16	375.82	1.43	-59.73
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CN1N=C(C(=O)N2CCCCC23CC(NC(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300033121414	0	45	-1.0	-50.60	367.47	1.13	-49.47
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O=C(NC1CC2(C1)CCCCN2C(=O)C1=NSNC1=O)C1=CN=CC([O-])=C1	REAL300033122692	1	45	-1.0	-67.92	369.30	1.32	-66.60
CN1N=C(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=NSNC2=O)[N-]C1=O	REAL300033122800	0	45	-1.0	-66.69	367.97	0.94	-65.75
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CN1[N-]C(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=NSNC2=O)=CC1=O	REAL300033123020	0	46	-1.0	-63.43	380.07	1.30	-62.13
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CN1[N-]C(C(=O)N2CCCCC23CC(NC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033123169	0	46	-1.0	-64.12	379.39	1.45	-62.67
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CN1N=C(C(=O)N2CCC(C3(NC(=O)C4=NSNC4=O)CC3)CC2)[N-]C1=O	REAL300033124082	0	45	-1.0	-60.05	369.25	0.24	-59.81
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CN1N=C(C(=O)NC2(C3CCN(C(=O)C4=NSNC4=O)CC3)CC2)[N-]C1=O	REAL300033125468	0	45	-1.0	-61.01	373.93	0.50	-60.51
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CN1[N-]C(C(=O)NC2(C3CCN(C(=O)C4=NSNC4=O)CC3)CC2)=CC1=O	REAL300033125688	0	46	-1.0	-58.09	374.85	1.86	-56.23
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CN1[N-]C(C(=O)N2CCC(C3(NC(=O)C4=NSNC4=O)CC3)CC2)=CC1=O	REAL300033125837	0	46	-1.0	-55.78	374.93	1.80	-53.98
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CC(C)CN1[N-]C(CC(=O)NC[C@@H](C)NC(=O)C2=NSNC2=O)=CC1=O	REAL300033127495	0	47	-1.0	-60.39	405.82	0.65	-59.74
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CC(=O)[N-]C1=NC(C(=O)NC[C@@H](C)NC(=O)C2=NSNC2=O)=CS1	REAL300033127589	1	37	-1.0	-46.25	353.28	-2.36	-48.61
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COC1=C(C(=O)NC[C@@H](C)NC(=O)C2=NSNC2=O)NC(=O)[N-]C1=O	REAL300033127947	1	38	-1.0	-53.88	348.30	-4.68	-58.56
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C[C@H](CNC(=O)CN1[N-]C=C2C1=NC=NC2=O)NC(=O)C1=NSNC1=O	REAL300033128419	0	39	-1.0	-57.62	362.38	-1.43	-59.05
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=NSNC2=O)C(=O)NC(C2CC2)=N1	REAL300033130035	0	43	-1.0	-50.66	375.45	-0.15	-50.81
CC1=C(C(=O)NC[C@@H](C)NC(=O)C2=NSNC2=O)C(=O)[N-]C(C2CC2)=N1	REAL300033130035	1	43	-1.0	-50.66	375.45	-0.15	-50.81
C[C@H](CNC(=O)C1=C[N-]N=CC1=O)NC(=O)C1=NSNC1=O	REAL300033130051	0	33	-1.0	-42.78	307.38	-1.75	-44.53
C[C@H](CNC(=O)C1=CC=C2N=NN([O-])C2=C1)NC(=O)C1=NSNC1=O	REAL300033130093	0	37	-1.0	-62.30	342.36	-1.34	-63.64
C[C@H](CNC(=O)C1=CC(=O)N[N-]1)NC(=O)C1=NSNC1=O	REAL300033130220	0	32	-1.0	-49.04	303.16	-3.92	-52.96
C[C@H](CNC(=O)C(=O)[PH](C)(C)[O-])NC(=O)C1=NSNC1=O	REAL300033130225	0	37	-1.0	-46.93	337.32	-2.41	-49.34
C[C@H](CNC(=O)C1=CC=CN([O-])C1=O)NC(=O)C1=NSNC1=O	REAL300033130277	0	35	-1.0	-61.23	323.38	0.32	-60.91
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CC1=C([O-])N=C(C(=O)NC[C@@H](C)NC(=O)C2=NSNC2=O)S1	REAL300033130330	1	34	-1.0	-56.00	329.71	-3.78	-59.78
C[C@H](CNC(=O)C1=CC(=O)C=C(Cl)N1)NC(=O)C1=NSNC1=O	REAL300033130354	0	34	-1.0	-45.84	333.31	-0.62	-46.46
C[C@H](CNC(=O)C1=CC(=O)C=C(Cl)[N-]1)NC(=O)C1=NSNC1=O	REAL300033130354	1	34	-1.0	-45.84	333.31	-0.62	-46.46
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C[C@H](CNC(=O)C1=CC=CC(=O)N1[O-])NC(=O)C1=NSNC1=O	REAL300033130457	0	35	-1.0	-77.41	323.24	1.16	-76.25
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C[C@H](CNC(=O)CC1=NC([O-])=CS1)NC(=O)C1=NSNC1=O	REAL300033130755	0	34	-1.0	-69.47	329.68	-3.99	-73.46
CCC1=NC=C(C(=O)NC[C@@H](C)NC(=O)C2=NSNC2=O)C(=O)N1	REAL300033130787	0	39	-1.0	-48.51	348.30	-1.39	-49.90
CCC1=NC=C(C(=O)NC[C@@H](C)NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033130787	1	39	-1.0	-48.51	348.30	-1.39	-49.90
C[C@H](CNC(=O)C1=C(Cl)C(=O)[N-]S1)NC(=O)C1=NSNC1=O	REAL300033130900	0	31	-1.0	-50.01	320.72	-2.61	-52.62
COCC1=NC=C(C(=O)NC[C@@H](C)NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033131036	1	40	-1.0	-49.34	361.23	-3.14	-52.48
C[C@H](CNC(=O)C1=CN=C(CC2CC2)[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300033131051	1	43	-1.0	-48.37	379.21	0.21	-48.16
CC1=CC(=O)C(C(=O)NC[C@@H](C)NC(=O)C2=NSNC2=O)=N[N-]1	REAL300033131159	0	36	-1.0	-51.64	331.88	-0.12	-51.76
C[C@H](CNC(=O)C1=NC(=O)N[N-]1)NC(=O)C1=NSNC1=O	REAL300033131182	0	31	-1.0	-49.15	297.75	-5.21	-54.36
C[C@H](CNC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)NC(=O)C1=NSNC1=O	REAL300033131211	1	36	-1.0	-49.17	340.35	-0.90	-50.07
CC1=NC2=NC=C(C(=O)NC[C@@H](C)NC(=O)C3=NSNC3=O)C(=O)N2[N-]1	REAL300033131247	0	39	-1.0	-48.17	355.45	1.35	-46.82
C[C@H](CNC(=O)C1=CN=C(C=N[O-])S1)NC(=O)C1=NSNC1=O	REAL300033131373	0	34	-1.0	-62.23	338.54	-2.33	-64.56
COC1=NC(C(=O)NC[C@@H](C)NC(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300033131393	0	37	-1.0	-53.01	343.88	-5.90	-58.91
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=NC=CC=C1[O-]	REAL300033131623	1	34	-1.0	-58.48	315.22	-0.50	-58.98
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300033131748	1	40	-1.0	-57.00	364.80	-1.72	-58.72
CC(=O)[N-]C1=NC(C(=O)N[C@H](C)CNC(=O)C2=NSNC2=O)=CS1	REAL300033131766	1	37	-1.0	-44.40	353.30	-2.35	-46.75
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=NNC(=O)[N-]C1=O	REAL300033131807	0	33	-1.0	-52.38	314.72	-5.99	-58.37
COC1=C(C(=O)N[C@H](C)CNC(=O)C2=NSNC2=O)NC(=O)[N-]C1=O	REAL300033131877	1	38	-1.0	-53.00	348.29	-4.70	-57.70
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)CN1C(=O)[N-]NC1=O	REAL300033132091	0	35	-1.0	-52.83	328.83	-4.32	-57.15
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300033132161	0	39	-1.0	-57.61	362.39	-1.45	-59.06
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)CCCN1C(=O)[N-]NC1=O	REAL300033133356	0	41	-1.0	-54.34	371.36	-3.14	-57.48
CC(C)CN1[N-]C(CC(=O)N[C@H](C)CNC(=O)C2=NSNC2=O)=CC1=O	REAL300033133566	0	47	-1.0	-60.04	405.81	0.64	-59.40
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300033133626	1	40	-1.0	-46.92	359.36	-0.79	-47.71
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	REAL300033133880	0	40	-1.0	-41.19	365.41	-2.49	-43.68
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=NSNC2=O)C(=O)[N-]C(C(C)C)=N1	REAL300033134432	1	45	-1.0	-47.25	385.20	-0.34	-47.59
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)CCC1=NNC(=O)[N-]C1=O	REAL300033134778	0	39	-1.0	-53.79	359.06	-5.86	-59.65
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300033134788	0	37	-1.0	-54.17	346.11	1.43	-52.74
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(Cl)=CC=C1[O-]	REAL300033134807	1	35	-1.0	-55.80	334.71	1.75	-54.05
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=CC([O-])=CC(C#N)=C1	REAL300033134847	1	36	-1.0	-46.10	341.00	-0.02	-46.12
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=C(N)C(Cl)=C1[O-]	REAL300033134884	0	37	-1.0	-60.94	346.51	-0.28	-61.22
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300033134955	0	37	-1.0	-64.96	343.99	2.48	-62.48
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300033137988	1	40	-1.0	-62.25	360.47	1.84	-60.41
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=C(Cl)C(=O)[N-]S1	REAL300033137989	0	31	-1.0	-49.03	320.72	-2.60	-51.63
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=CN=C(N)[N-]C1=O	REAL300033138017	1	35	-1.0	-46.59	321.54	-3.04	-49.63
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=NSNC2=O)[N-]C(=O)C(C#N)=C1	REAL300033138060	0	38	-1.0	-45.20	352.94	-1.24	-46.44
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=C(F)C([O-])=C1F	REAL300033138089	0	35	-1.0	-63.07	330.72	-0.25	-63.32
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300033138161	0	35	-1.0	-49.88	342.34	0.25	-49.63
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300033138170	1	36	-1.0	-48.33	340.35	-0.88	-49.21
COC1=NC(C(=O)N[C@H](C)CNC(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300033138177	0	37	-1.0	-52.12	343.89	-5.91	-58.03
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300033138180	0	37	-1.0	-56.17	338.53	-0.45	-56.62
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=NC=CC(Cl)=C1[O-]	REAL300033138193	0	34	-1.0	-54.87	331.41	0.03	-54.84
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300033138200	1	38	-1.0	-61.45	360.82	0.81	-60.64
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=C(Cl)C([O-])=C1	REAL300033138250	0	35	-1.0	-48.25	336.17	0.16	-48.09
CC1=NN2C=C(C(=O)N[C@H](C)CNC(=O)C3=NSN=C3[O-])N=C2S1	REAL300033138259	0	36	-1.0	-54.32	348.45	-1.28	-55.60
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=NC=C1[O-]	REAL300033138262	1	34	-1.0	-58.35	313.27	-0.60	-58.95
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300033138272	0	31	-1.0	-52.12	297.90	-3.43	-55.55
CC1=C([O-])N=C(C(=O)N[C@H](C)CNC(=O)C2=NSNC2=O)S1	REAL300033138323	1	34	-1.0	-53.95	329.70	-3.79	-57.74
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300033138404	1	41	-1.0	-62.52	362.92	3.57	-58.95
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300033138413	1	41	-1.0	-65.97	364.01	3.50	-62.47
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C(=O)C1=CC=C([O-])C=C1	REAL300033138470	1	37	-1.0	-51.85	340.48	-0.52	-52.37
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=CN=C(C=N[O-])S1	REAL300033138510	0	34	-1.0	-61.79	338.54	-2.33	-64.12
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300033138548	1	34	-1.0	-44.57	333.31	-0.62	-45.19
CSC1=NC=C(C(=O)N[C@H](C)CNC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033138579	1	37	-1.0	-46.64	349.48	-1.87	-48.51
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)NC([O-])=C1	REAL300033138589	0	35	-1.0	-47.32	326.26	-4.75	-52.07
CCN1[N-]C(C(=O)N[C@H](C)CNC(=O)C2=NSNC2=O)=CC1=O	REAL300033138687	0	38	-1.0	-50.79	347.71	-1.26	-52.05
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)CNC(=O)C1=NC=CC=C1[O-]	REAL300033138698	1	41	-1.0	-61.71	374.18	-1.98	-63.69
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300033138712	0	35	-1.0	-50.09	325.98	-2.21	-52.30
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300033138726	1	38	-1.0	-65.78	348.69	-1.80	-67.58
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300033138731	0	35	-1.0	-53.60	340.14	-4.10	-57.70
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=NSNC2=O)C(=S)[N-]C(=O)N1	REAL300033138733	1	37	-1.0	-64.99	353.05	-2.69	-67.68
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=NSNC2=O)C(=O)[N-]C(C2CC2)=N1	REAL300033138744	1	43	-1.0	-47.77	376.15	-0.16	-47.93
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)CC1=CC(=O)N[N-]1	REAL300033138937	1	35	-1.0	-57.35	323.83	-3.29	-60.64
C[C@H](CNC(=O)C1=NSNC1=O)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300033138944	1	35	-1.0	-52.70	326.33	-0.30	-53.00
C[C@H](CNC(=O)CN1[N-]C(=O)C=CC1=O)NC(=O)C1=NSNC1=O	REAL300033140015	0	37	-1.0	-54.52	344.94	-3.33	-57.85
CC1=NN2C=C(C(=O)NC[C@@H](C)NC(=O)C3=NSN=C3[O-])N=C2S1	REAL300033140024	0	36	-1.0	-55.42	348.45	-1.28	-56.70
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NSNC1=O	REAL300033140030	0	31	-1.0	-53.44	297.90	-3.45	-56.89
C[C@H](CNC(=O)C1=CN([O-])C(=O)NC1=O)NC(=O)C1=NSNC1=O	REAL300033140051	0	35	-1.0	-50.98	328.64	-2.19	-53.17
C[C@H](CNC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)NC(=O)C1=NSNC1=O	REAL300033140091	1	36	-1.0	-41.31	339.70	-1.58	-42.89
O=C(NC[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300033141304	0	40	-1.0	-60.11	348.60	-3.07	-63.18
O=C(CN1C(=O)[N-]NC1=O)NC[C@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300033141388	0	42	-1.0	-60.75	362.74	-1.42	-62.17
O=C(NC[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)C=C1	REAL300033141979	0	42	-1.0	-70.93	359.67	3.06	-67.87
O=C(NC[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)NC([O-])=C1	REAL300033142093	0	42	-1.0	-57.08	360.16	-1.85	-58.93
O=C(NC[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=COC(=O)[N-]1	REAL300033142104	1	38	-1.0	-60.77	332.21	-2.01	-62.78
CCN1[N-]C(C(=O)NC[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033142274	0	45	-1.0	-60.90	381.62	1.63	-59.27
O=C(CC1=CC(=O)N[N-]1)NC[C@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300033142282	1	42	-1.0	-62.61	357.73	-0.38	-62.99
O=C(NC[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=S)N1[O-]	REAL300033142300	0	42	-1.0	-85.29	368.93	5.02	-80.27
O=C(CC1SC(=O)[N-]C1=O)NC[C@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300033142309	0	42	-1.0	-54.40	371.31	-1.83	-56.23
CN1N=C(C(=O)NC[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033142325	0	41	-1.0	-63.25	354.58	-0.75	-64.00
O=C(NC[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=C[N-]N=CC1=O	REAL300033142414	0	40	-1.0	-53.95	341.26	1.14	-52.81
O=C(NC[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300033142513	0	39	-1.0	-57.65	337.72	-1.09	-58.74
C[PH](C)([O-])C(=O)C(=O)NC[C@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300033142518	0	44	-1.0	-57.72	369.96	0.31	-57.41
O=C(NC[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CN([O-])C1=O	REAL300033142549	0	42	-1.0	-76.17	357.93	3.15	-73.02
CC1SC(C(=O)NC[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300033142577	0	41	-1.0	-67.69	364.28	-0.97	-68.66
CC1=C([O-])N=C(C(=O)NC[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300033142577	1	41	-1.0	-67.69	364.28	-0.97	-68.66
O=C(NC[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)N1	REAL300033142591	0	41	-1.0	-54.32	367.19	2.28	-52.04
O=C(NC[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300033142591	1	41	-1.0	-54.32	367.19	2.28	-52.04
O=C(NC[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N([O-])C=C1	REAL300033142608	0	42	-1.0	-71.89	360.73	2.97	-68.92
O=C(NC[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300033142641	0	42	-1.0	-82.87	357.82	3.98	-78.89
NC1=NC([O-])=C(CC(=O)NC[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300033142764	0	43	-1.0	-72.50	378.40	-1.96	-74.46
O=C(CC1=NC([O-])=CS1)NC[C@H]1CCCN(C(=O)C2=NSNC2=O)C1	REAL300033142809	0	41	-1.0	-72.26	363.58	-1.10	-73.36
CCC1=NC=C(C(=O)NC[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300033142827	0	46	-1.0	-62.27	382.45	1.54	-60.73
CCC1=NC=C(C(=O)NC[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033142827	1	46	-1.0	-62.27	382.45	1.54	-60.73
CC1=CC(=O)C(C(=O)NC[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033143038	0	43	-1.0	-61.08	365.80	2.79	-58.29
O=C(NC[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]1	REAL300033143053	0	38	-1.0	-60.64	331.82	-2.41	-63.05
O=C(NC[C@H]1CCCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300033143164	0	41	-1.0	-68.37	372.70	0.62	-67.75
COC1=NC(C(=O)NC[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300033143177	0	44	-1.0	-60.15	377.79	-2.99	-63.14
O=C(NC[C@H]1CCCN(C(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300033143433	1	41	-1.0	-62.43	349.20	2.71	-59.72
O=C(NC[C@H]1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300033143556	0	40	-1.0	-54.99	349.80	-3.30	-58.29
O=C(CN1C(=O)[N-]NC1=O)N1CCC[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300033143716	0	42	-1.0	-55.98	365.80	-1.63	-57.61
O=C(NC[C@H]1CCCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=NSNC1=O	REAL300033145035	1	42	-1.0	-57.86	373.58	3.30	-54.56
N#CC1=CC([O-])=CC(C(=O)N2CCC[C@H](CNC(=O)C3=NSNC3=O)C2)=C1	REAL300033145060	1	43	-1.0	-53.08	377.89	2.38	-50.70
CCC1=NC=C(C(=O)N2CCC[C@H](CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033145143	1	46	-1.0	-56.84	391.41	0.87	-55.97
O=C(NC[C@H]1CCCN(C(=O)C2=COC(=O)[N-]2)C1)C1=NSNC1=O	REAL300033145161	1	38	-1.0	-49.19	332.19	-0.88	-50.07
O=C(C[N-]C(=O)C(F)(F)F)N1CCC[C@H](CNC(=O)C2=NSNC2=O)C1	REAL300033145228	0	41	-1.0	-49.51	370.25	-1.32	-50.83
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CCN1[N-]C(C(=O)N2CCC[C@H](CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033147144	0	45	-1.0	-52.97	381.37	1.67	-51.30
CN1[N-]C(C(=O)N2CCC[C@H](CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033147163	0	42	-1.0	-52.21	359.53	0.75	-51.46
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CC1=CN=C(C(=O)N2CCC[C@H](CNC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300033147407	1	44	-1.0	-64.07	370.63	3.35	-60.72
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CN1[N-]C(C(=O)NC[C@H]2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033147596	0	42	-1.0	-60.01	360.55	0.62	-59.39
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CN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300033148465	1	41	-1.0	-59.97	363.01	1.35	-58.62
CN(C(=O)C1=NSNC1=O)C1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1	REAL300033148771	0	41	-1.0	-40.88	356.24	1.92	-38.96
CN(C(=O)C1=NSNC1=O)C1CN(C(=O)CCCN2C(=O)[N-]NC2=O)C1	REAL300033149321	0	42	-1.0	-61.44	368.69	-0.59	-62.03
CC(C)CN1[N-]C(CC(=O)N2CC(N(C)C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033149517	0	48	-1.0	-68.67	405.93	3.39	-65.28
CN(C(=O)C1=NSNC1=O)C1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)C1	REAL300033149611	0	40	-1.0	-59.39	356.39	-3.32	-62.71
CC(=O)[N-]C1=NC(C(=O)N2CC(N(C)C(=O)C3=NSNC3=O)C2)=CS1	REAL300033149612	1	38	-1.0	-50.75	348.17	0.35	-50.40
CN(C(=O)C1=NSNC1=O)C1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1	REAL300033149826	1	41	-1.0	-62.64	362.13	0.82	-61.82
COC1=C(C(=O)N2CC(N(C)C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300033149971	1	39	-1.0	-58.30	341.27	-2.26	-60.56
CN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300033150122	0	34	-1.0	-55.14	309.20	-2.64	-57.78
CN(C(=O)C1=NSNC1=O)C1CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300033150263	0	36	-1.0	-55.29	325.81	-1.01	-56.30
CC1=C(C(=O)N2CC(N(C)C(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C(C)C)=N1	REAL300033150306	1	46	-1.0	-55.15	387.58	2.48	-52.67
CN(C(=O)C1=NSNC1=O)C1CN(C(=O)CN2[N-]C=C3C2=NC=NC3=O)C1	REAL300033150443	0	40	-1.0	-59.07	359.34	1.87	-57.20
COCC1=NC=C(C(=O)N2CC(N(C)C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033153087	1	41	-1.0	-59.44	364.86	-1.00	-60.44
CN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)C1	REAL300033153102	1	44	-1.0	-58.71	382.85	2.36	-56.35
CC1=CC(=O)C(C(=O)N2CC(N(C)C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033153210	0	37	-1.0	-52.94	326.39	3.22	-49.72
CN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300033153233	0	32	-1.0	-53.86	292.97	-2.36	-56.22
CN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1	REAL300033153264	1	37	-1.0	-49.97	332.50	2.10	-47.87
CC1=NC2=NC=C(C(=O)N3CC(N(C)C(=O)C4=NSNC4=O)C3)C(=O)N2[N-]1	REAL300033153300	0	40	-1.0	-57.57	359.14	3.47	-54.10
CN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300033153427	0	35	-1.0	-68.04	331.68	-0.10	-68.14
COC1=NC(C(=O)N2CC(N(C)C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300033153448	0	38	-1.0	-59.75	337.24	-3.06	-62.81
CN(C(=O)C1=NC=CC=C1[O-])C1CN(C(=O)C2=NSNC2=O)C1	REAL300033153702	1	35	-1.0	-64.64	309.97	2.41	-62.23
CN(C(=O)CCN1C=C[N-]C(=O)C1=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033153833	1	41	-1.0	-65.04	361.82	1.50	-63.54
CC(=O)[N-]C1=NC(C(=O)N(C)C2CN(C(=O)C3=NSNC3=O)C2)=CS1	REAL300033153851	1	38	-1.0	-47.32	348.11	0.54	-46.78
CN(C(=O)C1=NNC(=O)[N-]C1=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033153892	0	34	-1.0	-59.32	309.99	-3.47	-62.79
COC1=C(C(=O)N(C)C2CN(C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300033153962	1	39	-1.0	-56.28	352.39	-3.85	-60.13
CN(C(=O)CN1C(=O)[N-]NC1=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033154173	0	36	-1.0	-60.68	326.67	-2.06	-62.74
CN(C(=O)CN1[N-]C=C2C1=NC=NC2=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033154243	0	40	-1.0	-63.76	360.21	0.82	-62.94
CN(C(=O)CCCN1C(=O)[N-]NC1=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033155439	0	42	-1.0	-57.24	368.38	0.09	-57.15
CC(C)CN1[N-]C(CC(=O)N(C)C2CN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033155650	0	48	-1.0	-66.60	406.07	3.26	-63.34
CN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033155710	1	41	-1.0	-61.96	363.86	1.06	-60.90
CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033155963	0	41	-1.0	-41.09	356.77	1.39	-39.70
CC1=C(C(=O)N(C)C2CN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C(C)C)=N1	REAL300033156518	1	46	-1.0	-63.86	392.85	1.31	-62.55
CN(C(=O)CCC1=NNC(=O)[N-]C1=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033156865	0	40	-1.0	-59.36	356.87	-3.58	-62.94
CN(C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033156875	0	38	-1.0	-59.59	341.34	4.30	-55.29
CN(C(=O)C1=CC(Cl)=CC=C1[O-])C1CN(C(=O)C2=NSNC2=O)C1	REAL300033156894	1	36	-1.0	-63.12	332.88	2.72	-60.40
CN(C(=O)C1=CC([O-])=CC(C#N)=C1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033156935	1	37	-1.0	-50.51	334.19	2.78	-47.73
CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160015	0	34	-1.0	-48.18	311.72	-2.87	-51.05
CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160015	1	34	-1.0	-48.18	311.72	-2.87	-51.05
CN(C(=O)C1=CC=C2N=NN([O-])C2=C1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160066	0	38	-1.0	-56.45	338.18	0.59	-55.86
CN(C(=O)C1=C(O)C2=CC=CC=C2C=N1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160115	0	41	-1.0	-68.34	355.21	4.74	-63.60
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160115	1	41	-1.0	-68.34	355.21	4.74	-63.60
CN(C(=O)C1=C(Cl)C(=O)[N-]S1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160116	0	32	-1.0	-56.55	313.63	-0.76	-57.31
CN(C(=O)C1=CN=C(N)NC1=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160145	0	36	-1.0	-61.44	326.13	-1.18	-62.62
CN(C(=O)C1=CN=C(N)[N-]C1=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160145	1	36	-1.0	-61.44	326.13	-1.18	-62.62
CC1=C(C(=O)N(C)C2CN(C(=O)C3=NSNC3=O)C2)[N-]C(=O)C(C#N)=C1	REAL300033160188	0	39	-1.0	-47.64	350.15	1.58	-46.06
CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160290	0	36	-1.0	-54.90	335.50	3.05	-51.85
CN(C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160299	0	37	-1.0	-55.58	342.98	1.22	-54.36
CN(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160299	1	37	-1.0	-55.58	342.98	1.22	-54.36
CN(C(=O)C1=CC=C2N[N-]N=C2C1=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160309	0	38	-1.0	-52.86	341.33	0.21	-52.65
CN(C(=O)C1=NC=CC(Cl)=C1[O-])C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160322	0	35	-1.0	-60.14	325.53	3.68	-56.46
CN(C(=O)CC1=CC=C(O)C(Cl)=C1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160329	0	39	-1.0	-67.28	358.09	3.15	-64.13
CN(C(=O)CC1=CC=C([O-])C(Cl)=C1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160329	1	39	-1.0	-67.28	358.09	3.15	-64.13
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160403	0	32	-1.0	-57.24	292.90	-1.24	-58.48
CC1SC(C(=O)N(C)C2CN(C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300033160454	0	35	-1.0	-55.91	324.70	-0.52	-56.43
CC1=C([O-])N=C(C(=O)N(C)C2CN(C(=O)C3=NSNC3=O)C2)S1	REAL300033160454	1	35	-1.0	-55.91	324.70	-0.52	-56.43
CN(C(=O)C1=C(O)C=CC2=CC=CC=C21)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160516	0	42	-1.0	-65.56	366.89	3.96	-61.60
CN(C(=O)C1=C([O-])C=CC2=CC=CC=C21)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160516	1	42	-1.0	-65.56	366.89	3.96	-61.60
CN(C(=O)C1=C(O)C2=CC=CC=C2C=C1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160535	0	42	-1.0	-70.41	361.22	4.58	-65.83
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160535	1	42	-1.0	-70.41	361.22	4.58	-65.83
CN(C(=O)C1=CC2=CC=CC=C2C=C1O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160544	0	42	-1.0	-74.30	362.76	4.64	-69.66
CN(C(=O)C1=CC2=CC=CC=C2C=C1[O-])C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160544	1	42	-1.0	-74.30	362.76	4.64	-69.66
CN(C(=O)C(=O)C1=CC=C(O)C=C1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160604	0	38	-1.0	-57.03	343.65	2.55	-54.48
CN(C(=O)C(=O)C1=CC=C([O-])C=C1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160604	1	38	-1.0	-57.03	343.65	2.55	-54.48
CN(C(=O)C1=CN=C(C=N[O-])S1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160644	0	35	-1.0	-70.66	331.50	-0.59	-71.25
CN(C(=O)C1=CC(=O)C=C(Cl)N1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160682	0	35	-1.0	-49.27	328.34	2.24	-47.03
CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160682	1	35	-1.0	-49.27	328.34	2.24	-47.03
CSC1=NC=C(C(=O)N(C)C2CN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300033160713	0	38	-1.0	-54.14	352.85	-0.16	-54.30
CSC1=NC=C(C(=O)N(C)C2CN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033160713	1	38	-1.0	-54.14	352.85	-0.16	-54.30
CN(C(=O)C1=CC(=O)NC([O-])=C1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160723	0	36	-1.0	-51.76	328.75	-2.65	-54.41
CCN1[N-]C(C(=O)N(C)C2CN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033160822	0	39	-1.0	-55.79	342.98	1.27	-54.52
CN(C(=O)CNC(=O)C1=NC=CC=C1O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160834	0	42	-1.0	-66.64	372.01	0.26	-66.38
CN(C(=O)CNC(=O)C1=NC=CC=C1[O-])C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160834	1	42	-1.0	-66.64	372.01	0.26	-66.38
CN(C(=O)C1=CC(=O)N(C)[N-]1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160848	0	36	-1.0	-55.01	320.74	0.37	-54.64
CN(C(=O)C1=CC=CC2=C1C(=O)NC2=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160862	0	39	-1.0	-74.87	348.96	-0.55	-75.42
CN(C(=O)C1=CC=CC2=C1C(=O)[N-]C2=O)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160862	1	39	-1.0	-74.87	348.96	-0.55	-75.42
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160867	0	36	-1.0	-57.33	337.16	-0.83	-58.16
CC1=C(C(=O)N(C)C2CN(C(=O)C3=NSNC3=O)C2)C(=S)NC(=O)N1	REAL300033160869	0	38	-1.0	-63.99	349.36	-0.63	-64.62
CC1=C(C(=O)N(C)C2CN(C(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300033160869	1	38	-1.0	-63.99	349.36	-0.63	-64.62
CC1=C(C(=O)N(C)C2CN(C(=O)C3=NSNC3=O)C2)C(=O)NC(C2CC2)=N1	REAL300033160880	0	44	-1.0	-64.45	381.81	1.47	-62.98
CC1=C(C(=O)N(C)C2CN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C2CC2)=N1	REAL300033160880	1	44	-1.0	-64.45	381.81	1.47	-62.98
CN(C(=O)C1=C(O)C=NC2=CC=CC=C21)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160947	0	41	-1.0	-61.73	361.60	2.07	-59.66
CN(C(=O)C1=C([O-])C=NC2=CC=CC=C21)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033160947	1	41	-1.0	-61.73	361.60	2.07	-59.66
CN(C(=O)CC1=CC(=O)N[N-]1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033161075	1	36	-1.0	-63.69	321.65	-0.99	-64.68
CN(C(=O)C1=CC=C([O-])C(F)=C1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033161082	1	36	-1.0	-57.76	319.49	2.50	-55.26
CN(C(=O)C1=CC(F)=C([O-])C(F)=C1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033161156	0	36	-1.0	-59.35	327.80	1.67	-57.68
CN(C(=O)C1=CC=NC(Cl)=C1[O-])C1CN(C(=O)C2=NSNC2=O)C1	REAL300033161162	0	35	-1.0	-65.81	324.72	1.47	-64.34
CC1=C(CC(=O)N(C)C2CN(C(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300033161187	0	42	-1.0	-65.21	364.46	1.41	-63.80
CN(C(=O)CCC(=O)C1=CC=C([O-])C=C1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033161199	1	44	-1.0	-61.01	384.09	3.22	-57.79
CC1=CN=C(C(=O)N(C)C2CN(C(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300033161243	1	38	-1.0	-66.07	331.41	3.04	-63.03
CN(C(=O)C1=C(O)C=CC(Cl)=C1[O-])C1CN(C(=O)C2=NSNC2=O)C1	REAL300033161262	0	37	-1.0	-62.26	348.36	-0.47	-62.73
CN(C(=O)C1=CC([O-])=CS1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033161288	0	33	-1.0	-67.65	305.09	0.23	-67.42
CN(C(=O)C1=CN([O-])C(=O)C=C1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033161316	0	36	-1.0	-70.27	327.99	3.05	-67.22
CN(C(=O)C1=CC(F)=CC(Cl)=C1[O-])C1CN(C(=O)C2=NSNC2=O)C1	REAL300033161324	0	36	-1.0	-60.93	334.66	3.52	-57.41
CN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300033161607	0	36	-1.0	-57.43	320.96	0.36	-57.07
CN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1	REAL300033161617	1	39	-1.0	-76.75	344.51	0.31	-76.44
CN(C(=O)C1=NSNC1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300033161621	0	36	-1.0	-54.88	337.10	-0.77	-55.65
CC1=C(C(=O)N2CC(N(C)C(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300033161622	1	38	-1.0	-76.58	350.92	-0.28	-76.86
CN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300033161888	0	34	-1.0	-56.14	311.04	-4.07	-60.21
CN(C(=O)C1=NSNC1=O)C1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300033161888	1	34	-1.0	-51.02	311.61	-3.31	-54.33
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300033163009	1	42	-1.0	-55.72	353.78	-0.85	-56.57
O=C(CC1=CC(=O)N[N-]1)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O	REAL300033163087	1	46	-1.0	-65.78	379.20	0.79	-64.99
CN1N=C(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=NSNC2=O)[N-]C1=O	REAL300033163096	0	45	-1.0	-62.56	375.79	0.34	-62.22
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O)C1=C[N-]N=CC1=O	REAL300033163128	0	44	-1.0	-48.42	362.84	2.30	-46.12
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300033163162	0	43	-1.0	-56.09	358.61	0.14	-55.95
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O)C1=NC(=O)N[N-]1	REAL300033163333	0	42	-1.0	-55.71	353.06	-1.15	-56.86
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NC=CC=C1[O-])C1=NSNC1=O	REAL300033163627	1	45	-1.0	-74.14	370.66	3.77	-70.37
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=COC(=O)[N-]1)C1=NSNC1=O	REAL300033164102	1	42	-1.0	-56.93	353.84	-0.06	-56.99
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=C[N-]N=CC1=O)C1=NSNC1=O	REAL300033164173	0	44	-1.0	-58.45	372.58	1.68	-56.77
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)N[N-]1)C1=NSNC1=O	REAL300033164232	0	43	-1.0	-60.11	358.98	0.07	-60.04
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NC(=O)N[N-]1)C1=NSNC1=O	REAL300033164266	0	42	-1.0	-59.41	353.69	-0.66	-60.07
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CN=CC([O-])=C1)C1=NSNC1=O	REAL300033164374	1	45	-1.0	-60.28	370.00	1.16	-59.12
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CC(CNC(=O)C1=NNC(=O)[N-]1)CN(C)C(=O)C1=NSNC1=O	REAL300033169150	0	37	-1.0	-57.13	327.03	-2.70	-59.83
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COC1=NC(C(=O)NCC(C)CN(C)C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300033169329	0	43	-1.0	-60.27	374.25	-3.18	-63.45
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=NC=CC=C1[O-]	REAL300033169590	1	40	-1.0	-64.85	344.77	2.47	-62.38
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300033169704	1	46	-1.0	-63.70	397.38	0.71	-62.99
CC(=O)[N-]C1=NC(C(=O)N(C)CC(C)CNC(=O)C2=NSNC2=O)=CS1	REAL300033169716	1	43	-1.0	-48.18	382.60	0.67	-47.51
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=NNC(=O)[N-]C1=O	REAL300033169744	0	39	-1.0	-59.03	343.55	-3.38	-62.41
COC1=C(C(=O)N(C)CC(C)CNC(=O)C2=NSNC2=O)NC(=O)[N-]C1=O	REAL300033169795	1	44	-1.0	-56.74	386.85	-3.67	-60.41
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)CN1C(=O)[N-]NC1=O	REAL300033169959	0	41	-1.0	-60.19	361.41	-1.94	-62.13
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)CCCN1C(=O)[N-]NC1=O	REAL300033170901	0	47	-1.0	-59.33	403.60	-0.69	-60.02
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300033171094	1	46	-1.0	-55.29	393.37	1.22	-54.07
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300033171902	0	45	-1.0	-58.15	391.63	-3.44	-61.59
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300033171912	0	43	-1.0	-59.99	373.81	3.47	-56.52
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300033171926	1	41	-1.0	-62.25	366.44	3.03	-59.22
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300033171957	1	42	-1.0	-50.08	368.72	2.02	-48.06
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=NC(N)=CC(=O)[N-]1	REAL300033172970	0	41	-1.0	-62.78	357.29	-1.46	-64.24
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300033173039	0	41	-1.0	-54.42	363.85	2.26	-52.16
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=CC(F)=CC=C1[O-]	REAL300033173046	1	41	-1.0	-61.59	356.12	2.59	-59.00
CC1=CC=NC(C(=O)N(C)CC(C)CNC(=O)C2=NSNC2=O)=C1[O-]	REAL300033173135	1	43	-1.0	-65.37	365.71	3.25	-62.12
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=CN=CC([O-])=C1	REAL300033173300	1	40	-1.0	-60.99	343.60	-0.25	-61.24
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=CC=CC(=S)N1[O-]	REAL300033173313	0	41	-1.0	-80.90	373.08	2.83	-78.07
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300033173462	1	43	-1.0	-53.80	376.58	0.15	-53.65
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300033173467	0	40	-1.0	-49.17	362.72	1.38	-47.79
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=CC=C([O-])C=C1Cl	REAL300033173528	1	41	-1.0	-56.63	360.89	2.18	-54.45
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300033173531	0	44	-1.0	-60.26	383.50	0.83	-59.43
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)CC1=NC([O-])=CS1	REAL300033173543	0	40	-1.0	-72.84	361.92	-1.57	-74.41
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=C([O-])C=CC=C1F	REAL300033173564	1	41	-1.0	-58.87	362.60	1.94	-56.93
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300033173567	0	43	-1.0	-59.98	377.20	-0.96	-60.94
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=CC=C(F)C=C1[O-]	REAL300033173569	0	41	-1.0	-65.71	352.49	3.14	-62.57
CC1=CC=C(F)C([O-])=C1C(=O)N(C)CC(C)CNC(=O)C1=NSNC1=O	REAL300033173616	0	44	-1.0	-61.74	381.54	2.51	-59.23
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)CC1SC(=O)[N-]C1=O	REAL300033173702	0	41	-1.0	-53.00	368.92	-2.36	-55.36
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=CC=C([O-])C(F)=C1F	REAL300033173733	0	41	-1.0	-59.93	362.41	1.82	-58.11
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300033173736	1	42	-1.0	-47.74	377.53	0.33	-47.41
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300033173742	0	41	-1.0	-65.37	365.74	3.06	-62.31
CC1=CC(=O)C(C(=O)N(C)CC(C)CNC(=O)C2=NSNC2=O)=N[N-]1	REAL300033173778	0	42	-1.0	-55.64	360.72	2.49	-53.15
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300033173784	0	46	-1.0	-68.04	393.03	2.05	-65.99
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=CC=CC(=O)N1[O-]	REAL300033173814	0	41	-1.0	-77.09	361.97	2.17	-74.92
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300033173853	0	41	-1.0	-57.07	373.17	0.11	-56.96
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300033173854	0	43	-1.0	-58.66	382.30	-5.38	-64.04
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300033173854	1	43	-1.0	-53.02	382.24	-5.32	-58.34
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300033173883	0	43	-1.0	-49.96	377.41	3.12	-46.84
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=NN(C)C(=O)[N-]1	REAL300033173925	0	40	-1.0	-59.93	350.04	-1.05	-60.98
CC(CNC(=O)C1=NSNC1=O)CN(C)C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300033173957	0	43	-1.0	-55.21	375.87	-0.48	-55.69
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CC(CNC(=O)C1=CN([O-])C(=O)NC1=O)CN(C)C(=O)C1=NSNC1=O	REAL300033176025	0	41	-1.0	-54.66	357.98	0.46	-54.20
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CCN1[N-]C(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300033177406	0	48	-1.0	-56.98	392.98	3.82	-53.16
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CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300033177432	0	44	-1.0	-60.33	366.29	1.30	-59.03
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=C[N-]N=CC1=O	REAL300033177484	0	43	-1.0	-60.70	361.56	2.67	-58.03
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC(=O)N[N-]1	REAL300033177542	0	42	-1.0	-61.11	348.00	1.20	-59.91
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300033177547	0	47	-1.0	-46.57	381.96	2.35	-44.22
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC=CN([O-])C1=O	REAL300033177567	0	45	-1.0	-82.48	377.42	4.82	-77.66
CC1SC(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)CC2)=NC1=O	REAL300033177586	0	44	-1.0	-62.86	374.84	1.97	-60.89
CC1=C([O-])N=C(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)CC2)S1	REAL300033177586	1	44	-1.0	-62.86	374.84	1.97	-60.89
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300033177601	0	45	-1.0	-72.66	378.73	4.81	-67.85
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300033177623	0	45	-1.0	-81.64	377.66	4.56	-77.08
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)CC1=NC([O-])=CS1	REAL300033177725	0	44	-1.0	-85.06	377.21	0.85	-84.21
CC1=CC(=O)C(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300033177864	0	46	-1.0	-65.17	376.54	4.89	-60.28
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=NNC(=O)[N-]1	REAL300033177874	0	41	-1.0	-57.55	343.14	-0.35	-57.90
CN(CC1CCN(C(=O)C2=COC(=O)[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300033179181	1	41	-1.0	-62.02	342.23	1.32	-60.70
CN(CC1CCN(C(=O)C2=CC=C([O-])C=C2F)CC1)C(=O)C1=NSNC1=O	REAL300033179243	1	45	-1.0	-63.91	371.88	4.22	-59.69
CN(CC1CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1)C(=O)C1=NSNC1=O	REAL300033179246	0	44	-1.0	-57.34	368.61	3.40	-53.94
CC1=CC=C([O-])C(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)CC2)=N1	REAL300033179293	1	47	-1.0	-76.69	381.32	5.46	-71.23
CN(CC1CCN(C(=O)C2=C[N-]N=CC2=O)CC1)C(=O)C1=NSNC1=O	REAL300033179303	0	43	-1.0	-52.41	355.64	2.62	-49.79
CN(CC1CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1)C(=O)C1=NSNC1=O	REAL300033179310	0	45	-1.0	-83.75	371.44	5.33	-78.42
CN(CC1CCN(C(=O)C2=CC=CC([O-])=C2F)CC1)C(=O)C1=NSNC1=O	REAL300033179365	1	45	-1.0	-78.14	371.74	4.24	-73.90
CN(CC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300033179430	0	42	-1.0	-60.65	347.45	1.15	-59.50
CN(CC1CCN(C(=O)C(=O)[PH](C)(C)[O-])CC1)C(=O)C1=NSNC1=O	REAL300033179435	0	47	-1.0	-59.35	382.31	2.13	-57.22
CN(CC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1)C(=O)C1=NSNC1=O	REAL300033179481	0	45	-1.0	-76.26	373.02	4.66	-71.60
CN(CC1CCN(C(=O)C2=NC(=O)N[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300033179496	0	41	-1.0	-61.86	342.34	0.59	-61.27
CN(CC1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1)C(=O)C1=NSNC1=O	REAL300033179500	0	45	-1.0	-73.65	369.90	4.56	-69.09
CN(CC1CCN(C(=O)C2=CC(F)=CC=C2O)CC1)C(=O)C1=NSNC1=O	REAL300033179597	0	45	-1.0	-72.89	371.63	5.34	-67.55
CN(CC1CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1)C(=O)C1=NSNC1=O	REAL300033179597	1	45	-1.0	-72.89	371.63	5.34	-67.55
CC1=CC=NC(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)CC2)=C1O	REAL300033179638	0	47	-1.0	-75.52	380.05	5.58	-69.94
CC1=CC=NC(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)CC2)=C1[O-]	REAL300033179638	1	47	-1.0	-75.52	380.05	5.58	-69.94
CN(CC1CCN(C(=O)C2=CN=CC(O)=C2)CC1)C(=O)C1=NSNC1=O	REAL300033179693	0	44	-1.0	-55.33	361.21	2.39	-52.94
CN(CC1CCN(C(=O)C2=CN=CC([O-])=C2)CC1)C(=O)C1=NSNC1=O	REAL300033179693	1	44	-1.0	-55.33	361.21	2.39	-52.94
CN(CC1CCN(C(=O)CC2=NC([O-])=CS2)CC1)C(=O)C1=NSNC1=O	REAL300033179772	0	44	-1.0	-76.71	377.19	0.88	-75.83
CC1=CC(=O)C(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300033179868	0	46	-1.0	-64.15	376.46	4.91	-59.24
CN(CC1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1)C(=O)C1=NSNC1=O	REAL300033179883	0	45	-1.0	-97.68	370.78	5.38	-92.30
CN(CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300033179925	0	44	-1.0	-67.21	364.64	1.38	-65.83
CN(CC1CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1)C(=O)C1=NSNC1=O	REAL300033180040	1	45	-1.0	-59.38	373.05	4.16	-55.22
CN(CC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1)C(=O)C1=NSNC1=O	REAL300033180087	0	43	-1.0	-52.94	361.46	-0.46	-53.40
CN(CC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300033180087	1	43	-1.0	-52.94	361.46	-0.46	-53.40
CN(CC1CCN(C(=O)C2=CN=C(N)NC2=O)CC1)C(=O)C1=NSNC1=O	REAL300033180122	0	45	-1.0	-62.46	367.98	1.27	-61.19
CN(CC1CCN(C(=O)C2=CN=C(N)[N-]C2=O)CC1)C(=O)C1=NSNC1=O	REAL300033180122	1	45	-1.0	-62.46	367.98	1.27	-61.19
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NSNC1=O	REAL300033180203	0	41	-1.0	-61.89	342.61	1.24	-60.65
CC1SC(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)CC2)=NC1=O	REAL300033180218	0	44	-1.0	-59.65	374.45	1.98	-57.67
CC1=C([O-])N=C(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)CC2)S1	REAL300033180218	1	44	-1.0	-59.65	374.45	1.98	-57.67
CN(CC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1)C(=O)C1=NSNC1=O	REAL300033180310	0	45	-1.0	-59.57	371.20	-0.27	-59.84
CCN1[N-]C(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300033180348	0	48	-1.0	-62.53	392.22	3.83	-58.70
CN(CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300033180364	0	45	-1.0	-63.19	370.37	2.90	-60.29
CN(CC1CCN(C(=O)CC2=CC(=O)NN2)CC1)C(=O)C1=NSNC1=O	REAL300033180442	0	45	-1.0	-65.43	371.34	1.59	-63.84
CN(CC1CCN(C(=O)CC2=CC(=O)N[N-]2)CC1)C(=O)C1=NSNC1=O	REAL300033180442	1	45	-1.0	-65.43	371.34	1.59	-63.84
CN(CC1CCN(C(=O)C2=CC=C(O)C(F)=C2)CC1)C(=O)C1=NSNC1=O	REAL300033180446	0	45	-1.0	-61.60	373.00	4.21	-57.39
CN(CC1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1)C(=O)C1=NSNC1=O	REAL300033180446	1	45	-1.0	-61.60	373.00	4.21	-57.39
CC1=CN=C(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)CC2)C(O)=C1	REAL300033180502	0	47	-1.0	-77.33	381.17	5.54	-71.79
CC1=CN=C(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)CC2)C([O-])=C1	REAL300033180502	1	47	-1.0	-77.33	381.17	5.54	-71.79
CN(CC1CCN(C(=O)C2=CC([O-])=CS2)CC1)C(=O)C1=NSNC1=O	REAL300033180514	0	42	-1.0	-71.49	357.19	2.99	-68.50
CN(CC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1)C(=O)C1=NSNC1=O	REAL300033180525	0	45	-1.0	-76.70	370.76	4.63	-72.07
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300033180616	0	45	-1.0	-56.33	371.25	2.89	-53.44
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300033180701	0	43	-1.0	-60.87	361.09	-1.14	-62.01
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300033180701	1	43	-1.0	-56.79	361.66	-0.36	-57.15
CN(CC1CCN(C(=O)C2=NSNC2=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300033180802	0	41	-1.0	-65.57	342.98	1.30	-64.27
O=C(NC1CC2(C1)CCN(C(=O)C1=NSNC1=O)CC2)C1=COC(=O)[N-]1	REAL300033181962	1	42	-1.0	-47.64	353.23	-0.42	-48.06
O=C(CC1=CC(=O)N[N-]1)NC1CC2(C1)CCN(C(=O)C1=NSNC1=O)CC2	REAL300033182040	1	46	-1.0	-65.87	382.38	0.61	-65.26
CN1N=C(C(=O)NC2CC3(C2)CCN(C(=O)C2=NSNC2=O)CC3)[N-]C1=O	REAL300033182049	0	45	-1.0	-60.93	379.00	0.18	-60.75
O=C(NC1CC2(C1)CCN(C(=O)C1=NSNC1=O)CC2)C1=C[N-]N=CC1=O	REAL300033182081	0	44	-1.0	-50.79	361.57	2.64	-48.15
O=C(NC1CC2(C1)CCN(C(=O)C1=NSNC1=O)CC2)C1=CC(=O)N[N-]1	REAL300033182115	0	43	-1.0	-53.95	361.68	-0.02	-53.97
O=C(NC1CC2(C1)CCN(C(=O)C1=NSNC1=O)CC2)C1=NC(=O)N[N-]1	REAL300033182286	0	42	-1.0	-52.59	356.27	-1.31	-53.90
O=C(NC1CC2(C1)CCN(C(=O)C1=NC=CC=C1[O-])CC2)C1=NSNC1=O	REAL300033182580	1	45	-1.0	-68.88	373.53	3.63	-65.25
O=C(NC1CC2(C1)CCN(C(=O)C1=COC(=O)[N-]1)CC2)C1=NSNC1=O	REAL300033183055	1	42	-1.0	-55.18	356.15	0.11	-55.07
O=C(NC1CC2(C1)CCN(C(=O)C1=C[N-]N=CC1=O)CC2)C1=NSNC1=O	REAL300033183126	0	44	-1.0	-53.24	374.41	1.48	-51.76
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)N[N-]1)CC2)C1=NSNC1=O	REAL300033183185	0	43	-1.0	-54.16	361.39	0.02	-54.14
O=C(NC1CC2(C1)CCN(C(=O)C1=NC(=O)N[N-]1)CC2)C1=NSNC1=O	REAL300033183219	0	42	-1.0	-51.81	356.14	-0.60	-52.41
O=C(NC1CC2(C1)CCN(C(=O)C1=CN=CC([O-])=C1)CC2)C1=NSNC1=O	REAL300033183327	1	45	-1.0	-61.35	375.90	1.07	-60.28
CN1N=C(C(=O)N2CCC3(CC(NC(=O)C4=NSNC4=O)C3)CC2)[N-]C1=O	REAL300033183435	0	45	-1.0	-61.53	378.92	0.17	-61.36
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=NC=C1[O-])CC2)C1=NSNC1=O	REAL300033183565	0	45	-1.0	-68.13	375.16	2.05	-66.08
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=NSNC1=O	REAL300033183568	0	42	-1.0	-58.41	356.30	0.06	-58.35
CN1[N-]C(C(=O)N2CCC3(CC(NC(=O)C4=NSNC4=O)C3)CC2)=CC1=O	REAL300033183655	0	46	-1.0	-58.22	384.19	1.73	-56.49
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CC(NC(=O)C3=NSNC3=O)C2)CC1	REAL300033183701	1	46	-1.0	-63.08	385.09	0.38	-62.70
O=C(NC1CC2(C1)CCN(C(=O)C1=CC([O-])=CS1)CC2)C1=NSNC1=O	REAL300033183745	0	43	-1.0	-66.17	371.03	1.84	-64.33
CN1[N-]C(C(=O)NC2CC3(C2)CCN(C(=O)C2=NSNC2=O)CC3)=CC1=O	REAL300033183804	0	46	-1.0	-54.43	384.10	1.67	-52.76
O=C(NC1CC2(C1)CCN(C(=O)C1=NSNC1=O)CC2)C1=CC(=O)[N-]O1	REAL300033183913	0	42	-1.0	-58.09	355.96	0.44	-57.65
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300033184392	1	44	-1.0	-61.62	356.84	2.55	-59.07
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300033185031	0	45	-1.0	-65.66	375.73	0.94	-64.72
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300033185247	0	43	-1.0	-54.56	364.82	-1.45	-56.01
CC(=O)[N-]C1=NC(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=CS1	REAL300033185248	1	41	-1.0	-59.86	350.67	2.64	-57.22
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300033185406	1	44	-1.0	-70.31	369.17	2.36	-67.95
COC1=C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)NC(=O)[N-]C1=O	REAL300033185515	1	42	-1.0	-66.89	356.92	-2.06	-68.95
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1	REAL300033185629	0	37	-1.0	-64.58	312.15	-1.52	-66.10
O=C(CN1C(=O)[N-]NC1=O)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300033185746	0	39	-1.0	-67.61	333.21	-0.31	-67.92
COCC1=NC=C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300033187979	1	44	-1.0	-68.21	371.76	0.51	-67.70
CC1=CC(=O)C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300033188080	0	40	-1.0	-66.22	329.95	4.33	-61.89
O=C(C1=NC(=O)N[N-]1)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300033188099	0	35	-1.0	-65.03	296.19	0.20	-64.83
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CC1	REAL300033188124	1	40	-1.0	-59.18	335.66	2.70	-56.48
O=C(C1=CN=C(C=N[O-])S1)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300033188262	0	38	-1.0	-78.63	332.01	0.97	-77.66
COC1=NC(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=CC(=O)[N-]1	REAL300033188282	0	41	-1.0	-65.20	331.56	-0.77	-65.97
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300033188541	1	38	-1.0	-68.76	312.43	4.51	-64.25
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300033188661	1	44	-1.0	-70.31	369.17	2.36	-67.95
CC(=O)[N-]C1=NC(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=CS1	REAL300033188673	1	41	-1.0	-59.86	350.67	2.64	-57.22
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1	REAL300033188705	0	37	-1.0	-64.58	312.15	-1.52	-66.10
COC1=C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)NC(=O)[N-]C1=O	REAL300033188759	1	42	-1.0	-66.89	356.92	-2.06	-68.95
O=C(CN1C(=O)[N-]NC1=O)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300033188928	0	39	-1.0	-67.61	333.21	-0.31	-67.92
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300033189918	0	45	-1.0	-65.66	375.73	0.94	-64.72
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300033190125	1	44	-1.0	-61.62	356.84	2.55	-59.07
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=C(F)C=CC([O-])=C2F)CC1	REAL300033191969	1	39	-1.0	-64.01	335.43	3.38	-60.63
NC1=CC(=O)[N-]C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=N1	REAL300033192087	0	39	-1.0	-68.50	324.61	0.48	-68.02
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300033192157	0	39	-1.0	-64.34	331.88	3.74	-60.60
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300033192164	1	39	-1.0	-66.28	320.18	4.74	-61.54
CC1=CC=NC(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=C1[O-]	REAL300033192256	1	41	-1.0	-70.75	333.96	5.17	-65.58
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300033192427	1	38	-1.0	-64.40	316.48	1.43	-62.97
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=CC(=S)N2[O-])CC1	REAL300033192440	0	39	-1.0	-91.33	330.46	5.64	-85.69
NC1=CC(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=CC([O-])=C1Cl	REAL300033192596	1	41	-1.0	-70.74	350.34	1.80	-68.94
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC1	REAL300033192601	0	38	-1.0	-60.14	330.73	3.35	-56.79
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=C([O-])C=C2Cl)CC1	REAL300033192663	1	39	-1.0	-56.91	336.21	3.83	-53.08
N#CC1=CC(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=C([O-])C=C1N	REAL300033192666	0	42	-1.0	-64.38	347.59	2.94	-61.44
O=C(CC1=NC([O-])=CS1)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300033192678	0	38	-1.0	-82.86	332.97	0.13	-82.73
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=C([O-])C=CC=C2F)CC1	REAL300033192700	0	39	-1.0	-66.14	329.05	3.40	-62.74
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300033192703	0	41	-1.0	-55.27	350.66	1.02	-54.25
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=C(F)C=C2[O-])CC1	REAL300033192705	0	39	-1.0	-73.20	320.38	4.69	-68.51
CC1=CC=C(F)C([O-])=C1C(=O)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300033192753	0	42	-1.0	-78.82	347.78	4.89	-73.93
O=C(CC1SC(=O)[N-]C1=O)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300033192842	0	39	-1.0	-58.64	340.25	-0.64	-59.28
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=C([O-])C(F)=C2F)CC1	REAL300033192875	0	39	-1.0	-64.64	326.60	3.35	-61.29
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CC1	REAL300033192878	1	40	-1.0	-52.57	339.29	1.67	-50.90
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=CC(Cl)=C2[O-])CC1	REAL300033192884	0	39	-1.0	-69.53	329.80	5.20	-64.33
CC1=CC(=O)C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300033192921	0	40	-1.0	-66.22	329.95	4.33	-61.89
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300033192927	0	44	-1.0	-72.30	362.98	3.75	-68.55
O=C(C1=CN=C(C=N[O-])S1)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300033193981	0	38	-1.0	-78.63	332.01	0.97	-77.66
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1	REAL300033194016	1	38	-1.0	-55.10	330.35	4.37	-50.73
CSC1=NC=C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300033194042	1	41	-1.0	-69.04	360.13	1.78	-67.26
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1	REAL300033194050	0	39	-1.0	-53.47	334.81	-0.82	-54.29
CCN1[N-]C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300033194132	0	42	-1.0	-67.87	346.75	3.13	-64.74
CN1[N-]C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300033194154	0	39	-1.0	-67.90	324.01	2.25	-65.65
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300033194171	0	39	-1.0	-61.53	344.51	0.03	-61.50
CC1=C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)C(=S)[N-]C(=O)N1	REAL300033194173	1	41	-1.0	-76.10	355.47	1.54	-74.56
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)CC1	REAL300033194244	1	44	-1.0	-56.06	365.14	3.75	-52.31
O=C(CC1=CC(=O)N[N-]1)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300033194349	1	39	-1.0	-57.58	329.55	1.13	-56.45
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300033194355	1	39	-1.0	-68.30	322.08	3.25	-65.05
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC1	REAL300033194417	0	39	-1.0	-63.96	328.02	3.35	-60.61
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=NC(Cl)=C2[O-])CC1	REAL300033194423	0	38	-1.0	-69.60	326.19	3.10	-66.50
CC1=C(CC(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)C(=O)N(C)[N-]1	REAL300033194443	0	45	-1.0	-66.45	371.01	3.19	-63.26
CC1=CN=C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)C([O-])=C1	REAL300033194492	1	41	-1.0	-70.34	333.89	5.16	-65.18
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])CC1	REAL300033194506	0	40	-1.0	-60.50	348.80	1.90	-58.60
O=C(C1=CC([O-])=CS1)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300033194526	0	36	-1.0	-74.46	306.64	1.95	-72.51
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1	REAL300033194548	0	39	-1.0	-75.16	321.14	3.74	-71.42
CN1[N-]C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300033194783	0	39	-1.0	-67.90	324.01	2.25	-65.65
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=NSNC2=O)CC1	REAL300033194795	0	39	-1.0	-61.53	344.51	0.03	-61.50
CC1=C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2)C(=S)[N-]C(=O)N1	REAL300033194796	1	41	-1.0	-76.10	355.47	1.54	-74.56
CC1(NC(=O)CCCN2C(=O)[N-]NC2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033196523	0	42	-1.0	-54.24	372.77	-2.13	-56.37
CC(C)CN1[N-]C(CC(=O)NC2(C)CN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033196678	0	48	-1.0	-58.76	407.23	1.63	-57.13
CC1(NC(=O)CCC2=NNC(=O)[N-]C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033196754	0	40	-1.0	-54.49	360.48	-4.86	-59.35
CC(=O)[N-]C1=NC(C(=O)NC2(C)CN(C(=O)C3=NSNC3=O)C2)=CS1	REAL300033196755	1	38	-1.0	-49.68	354.73	-1.37	-51.05
CC1(NC(=O)CCN2C=C[N-]C(=O)C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033196928	1	41	-1.0	-61.35	366.22	-0.73	-62.08
COC1=C(C(=O)NC2(C)CN(C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300033197043	1	39	-1.0	-56.72	349.71	-3.80	-60.52
CC1(NC(=O)C2=NNC(=O)[N-]C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033197173	0	34	-1.0	-53.76	316.15	-4.99	-58.75
CC1(NC(=O)CN2C(=O)[N-]NC2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033197286	0	36	-1.0	-53.47	330.25	-3.33	-56.80
CC1(NC(=O)CN2[N-]C=C3C2=NC=NC3=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033197434	0	40	-1.0	-56.37	363.83	-0.44	-56.81
CC1(NC(=O)C2=CC(=O)N[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300033198958	0	33	-1.0	-51.09	304.60	-2.93	-54.02
CC1(NC(=O)C(=O)[PH](C)(C)[O-])CN(C(=O)C2=NSNC2=O)C1	REAL300033198962	0	38	-1.0	-53.94	338.87	-1.34	-55.28
CN1[N-]C(CC(=O)NC2(C)CN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033198965	0	39	-1.0	-58.32	348.07	-0.57	-58.89
CC1(NC(=O)C2=CC=CN([O-])C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033199008	0	36	-1.0	-67.12	325.08	1.39	-65.73
CSC1=NC=C(C(=O)NC2(C)CN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033199032	1	38	-1.0	-53.62	351.21	-0.89	-54.51
CC1=C([O-])N=C(C(=O)NC2(C)CN(C(=O)C3=NSNC3=O)C2)S1	REAL300033199055	1	35	-1.0	-60.50	331.36	-2.72	-63.22
CC1(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300033199075	1	35	-1.0	-47.52	334.73	0.45	-47.07
CC1(NC(=O)C2=CC(=O)N([O-])C=C2)CN(C(=O)C2=NSNC2=O)C1	REAL300033199094	0	36	-1.0	-67.25	327.58	1.13	-66.12
CC1(NC(=O)C2=CC=CC(=O)N2[O-])CN(C(=O)C2=NSNC2=O)C1	REAL300033199157	0	36	-1.0	-75.33	324.66	2.04	-73.29
CC1(NC(=O)C[N-]C(=O)C(F)(F)F)CN(C(=O)C2=NSNC2=O)C1	REAL300033199342	0	35	-1.0	-48.96	334.70	-3.04	-52.00
CC1(NC(=O)CC2=C([O-])N=C(N)S2)CN(C(=O)C2=NSNC2=O)C1	REAL300033199343	0	37	-1.0	-64.63	345.92	-3.78	-68.41
CC1(NC(=O)CC2=NC([O-])=CS2)CN(C(=O)C2=NSNC2=O)C1	REAL300033199411	0	35	-1.0	-66.51	331.01	-2.92	-69.43
CCC1=NC=C(C(=O)NC2(C)CN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033199437	1	40	-1.0	-52.61	349.97	-0.40	-53.01
CC1(NC(=O)CN2N=CC(=O)[N-]C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033199450	0	37	-1.0	-57.16	340.60	-4.44	-61.60
CC1(NC(=O)C2=C(Cl)C(=O)[N-]S2)CN(C(=O)C2=NSNC2=O)C1	REAL300033199535	0	32	-1.0	-51.75	322.14	-1.54	-53.29
COCC1=NC=C(C(=O)NC2(C)CN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300033199647	0	41	-1.0	-53.36	362.90	-2.16	-55.52
COCC1=NC=C(C(=O)NC2(C)CN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033199647	1	41	-1.0	-53.36	362.90	-2.16	-55.52
CC1(NC(=O)C2=CN=C(CC3CC3)NC2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033199660	0	44	-1.0	-52.59	380.90	1.19	-51.40
CC1(NC(=O)C2=CN=C(CC3CC3)[N-]C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033199660	1	44	-1.0	-52.59	380.90	1.19	-51.40
CC1=CC(=O)C(C(=O)NC2(C)CN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033199757	0	37	-1.0	-52.24	333.34	0.87	-51.37
CC1(NC(=O)C2=NNC(=O)[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300033199777	0	32	-1.0	-53.96	299.09	-4.38	-58.34
CC1(NC(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)CN(C(=O)C2=NSNC2=O)C1	REAL300033199796	0	37	-1.0	-52.29	341.76	0.08	-52.21
CC1(NC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CN(C(=O)C2=NSNC2=O)C1	REAL300033199796	1	37	-1.0	-52.29	341.76	0.08	-52.21
CC1(NC(=O)C2=CN=C(C=N[O-])S2)CN(C(=O)C2=NSNC2=O)C1	REAL300033199931	0	35	-1.0	-64.40	339.95	-1.35	-65.75
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300033200199	1	35	-1.0	-62.54	316.41	0.63	-61.91
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1	REAL300033200330	1	41	-1.0	-60.92	368.91	-0.79	-61.71
CC(=O)[N-]C1=NC(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)=CS1	REAL300033200348	1	38	-1.0	-50.85	354.65	-1.28	-52.13
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300033200389	0	34	-1.0	-55.85	316.01	-5.02	-60.87
COC1=C(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300033200459	1	39	-1.0	-57.70	348.08	-3.82	-61.52
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300033200670	0	36	-1.0	-55.08	332.93	-3.42	-58.50
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)CN2[N-]C=C3C2=NC=NC3=O)C1	REAL300033200740	0	40	-1.0	-57.09	366.26	-0.53	-57.62
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)CCCN2C(=O)[N-]NC2=O)C1	REAL300033201936	0	42	-1.0	-54.39	375.14	-2.27	-56.66
CC(C)CN1[N-]C(CC(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033202147	0	48	-1.0	-61.09	411.97	1.81	-59.28
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300033202207	1	41	-1.0	-60.08	369.27	-0.20	-60.28
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC(C)(NC(=O)C2=NSNC2=O)C1	REAL300033202460	0	41	-1.0	-46.06	366.15	-0.99	-47.05
CC1=CC=NC(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300033204976	1	38	-1.0	-62.29	336.73	1.32	-60.97
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1	REAL300033205045	0	36	-1.0	-61.71	343.20	2.11	-59.60
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300033205187	1	35	-1.0	-57.22	314.37	-1.74	-58.96
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300033205203	0	36	-1.0	-81.07	333.64	2.69	-78.38
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300033205378	1	44	-1.0	-60.45	385.02	0.25	-60.20
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C1	REAL300033205397	1	38	-1.0	-57.33	348.05	-1.46	-58.79
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300033205402	0	35	-1.0	-50.90	334.71	-0.57	-51.47
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2N)C1	REAL300033205480	0	40	-1.0	-58.90	359.49	0.12	-58.78
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300033205487	1	36	-1.0	-54.46	336.04	0.65	-53.81
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1	REAL300033205490	0	39	-1.0	-57.29	354.59	-0.18	-57.47
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300033205505	0	35	-1.0	-67.19	333.55	-3.08	-70.27
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300033205533	0	36	-1.0	-58.58	333.76	0.47	-58.11
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300033205537	0	38	-1.0	-55.16	348.70	-2.50	-57.66
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300033205542	0	36	-1.0	-60.48	327.26	1.59	-58.89
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(C)(NC(=O)C2=NSNC2=O)C1	REAL300033205602	0	39	-1.0	-63.62	353.07	0.96	-62.66
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300033205717	0	36	-1.0	-49.63	341.09	-3.86	-53.49
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300033205751	0	36	-1.0	-56.83	333.54	0.26	-56.57
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1	REAL300033205755	1	37	-1.0	-48.77	349.98	-1.10	-49.87
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300033205762	0	36	-1.0	-60.74	336.86	2.09	-58.65
CC1=CC(=O)C(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033205806	0	37	-1.0	-55.64	333.16	0.85	-54.79
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C1	REAL300033205811	0	41	-1.0	-65.00	365.38	0.65	-64.35
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300033205850	0	36	-1.0	-78.88	322.54	1.65	-77.23
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300033205900	0	36	-1.0	-54.06	343.37	-1.36	-55.42
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C1	REAL300033205901	0	38	-1.0	-57.24	354.17	-6.82	-64.06
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C1	REAL300033205901	1	38	-1.0	-50.83	354.09	-6.78	-57.61
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1	REAL300033205933	0	38	-1.0	-49.99	349.65	1.82	-48.17
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CC(C)(NC(=O)C2=NSNC2=O)C1	REAL300033205967	0	39	-1.0	-54.61	356.06	1.38	-53.23
CN1N=C(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033205983	0	35	-1.0	-58.70	322.11	-2.75	-61.45
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C1	REAL300033206030	0	38	-1.0	-51.80	347.10	-2.08	-53.88
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300033206077	1	37	-1.0	-59.13	344.49	-1.45	-60.58
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(C#N)C=C2[O-])C1	REAL300033206078	0	37	-1.0	-58.02	341.67	1.93	-56.09
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300033206092	0	37	-1.0	-55.46	341.70	1.95	-53.51
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300033206255	0	36	-1.0	-56.17	338.77	-1.67	-57.84
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300033206339	0	36	-1.0	-62.16	325.57	0.12	-62.04
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300033206339	1	36	-1.0	-62.16	325.57	0.12	-62.04
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C(O)C3=NC=CC=C3C=C2)C1	REAL300033206349	0	41	-1.0	-71.06	361.70	2.03	-69.03
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1	REAL300033206349	1	41	-1.0	-71.06	361.70	2.03	-69.03
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1	REAL300033206353	0	38	-1.0	-57.39	349.02	2.19	-55.20
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1	REAL300033206357	0	38	-1.0	-52.34	349.03	2.20	-50.14
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(Cl)C=C2O)C1	REAL300033206371	0	36	-1.0	-60.30	337.58	2.05	-58.25
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300033206371	1	36	-1.0	-60.30	337.58	2.05	-58.25
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300033206512	0	34	-1.0	-57.86	317.55	-5.68	-63.54
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300033206512	1	34	-1.0	-50.77	318.13	-4.92	-55.69
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1	REAL300033206563	0	38	-1.0	-61.26	341.58	-0.88	-62.14
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300033206612	1	41	-1.0	-66.58	361.61	2.97	-63.61
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1	REAL300033206613	0	32	-1.0	-53.69	320.52	-1.96	-55.65
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300033206642	1	36	-1.0	-58.94	331.81	-2.53	-61.47
CC1=C(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)[N-]C(=O)C(C#N)=C1	REAL300033206685	0	39	-1.0	-52.47	354.08	0.07	-52.40
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300033206714	0	36	-1.0	-64.05	333.49	0.24	-63.81
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300033206787	0	36	-1.0	-53.71	341.53	0.70	-53.01
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1	REAL300033206796	1	37	-1.0	-52.89	339.44	-0.44	-53.33
COC1=NC(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300033206803	0	38	-1.0	-55.79	343.75	-4.68	-60.47
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1	REAL300033206806	0	38	-1.0	-56.07	348.32	-1.12	-57.19
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300033206819	0	35	-1.0	-58.53	332.60	1.15	-57.38
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C1	REAL300033206826	1	39	-1.0	-59.93	364.92	1.75	-58.18
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300033206878	0	36	-1.0	-58.15	335.37	0.60	-57.55
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300033206890	0	35	-1.0	-60.87	312.43	-0.08	-60.95
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300033206900	0	32	-1.0	-57.45	299.75	-2.65	-60.10
CC1=C([O-])N=C(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)S1	REAL300033206951	1	35	-1.0	-62.17	331.38	-2.56	-64.73
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1	REAL300033207013	1	42	-1.0	-64.67	372.69	2.62	-62.05
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1	REAL300033207032	1	42	-1.0	-65.49	365.85	3.88	-61.61
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1	REAL300033207041	1	42	-1.0	-68.59	366.97	3.82	-64.77
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300033207101	1	38	-1.0	-55.06	342.28	0.29	-54.77
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300033207141	0	35	-1.0	-64.59	338.17	-1.69	-66.28
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300033207179	1	35	-1.0	-49.28	334.42	0.45	-48.83
CSC1=NC=C(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033207210	1	38	-1.0	-59.40	359.75	-1.37	-60.77
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300033207220	0	36	-1.0	-52.32	325.44	-4.26	-56.58
CCN1[N-]C(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033207319	0	39	-1.0	-55.82	349.28	-0.33	-56.15
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)CNC(=O)C2=NC=CC=C2[O-])C1	REAL300033207331	1	42	-1.0	-64.32	377.97	-1.14	-65.46
CN1[N-]C(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033207345	0	36	-1.0	-55.20	327.55	-1.26	-56.46
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1	REAL300033207359	1	39	-1.0	-64.93	352.53	-1.39	-66.32
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300033207364	0	36	-1.0	-55.30	344.25	-3.16	-58.46
CC1=C(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300033207366	1	38	-1.0	-63.68	356.53	-1.62	-65.30
CC1=C(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C2CC2)=N1	REAL300033207377	1	44	-1.0	-62.01	388.35	0.45	-61.56
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1	REAL300033207444	1	41	-1.0	-60.85	367.33	0.73	-60.12
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300033207572	1	36	-1.0	-57.32	327.59	-2.44	-59.76
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300033207579	1	36	-1.0	-57.37	325.53	0.15	-57.22
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300033207653	0	36	-1.0	-57.07	331.73	0.22	-56.85
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300033207659	0	35	-1.0	-58.73	328.62	0.36	-58.37
CC1=C(CC(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300033207684	0	42	-1.0	-59.63	370.79	0.02	-59.61
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)CCC(=O)C2=CC=C([O-])C=C2)C1	REAL300033207696	1	44	-1.0	-56.39	390.36	1.85	-54.54
CC1=CN=C(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300033207740	1	38	-1.0	-63.97	337.85	1.27	-62.70
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1	REAL300033207759	0	37	-1.0	-56.86	354.21	-1.82	-58.68
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300033207785	0	33	-1.0	-61.53	311.97	-0.84	-62.37
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300033207813	0	36	-1.0	-66.15	324.91	0.62	-65.53
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1	REAL300033207821	0	36	-1.0	-54.84	343.26	2.15	-52.69
CN(CC1=CC=C(CNC(=O)C2=COC(=O)[N-]2)C=C1)C(=O)C1=NSNC1=O	REAL300033209028	1	41	-1.0	-55.32	373.44	0.07	-55.25
CN(CC1=CC=C(CNC(=O)C2=CC(=O)N[N-]2)C=C1)C(=O)C1=NSNC1=O	REAL300033209122	0	42	-1.0	-55.05	379.29	1.10	-53.95
CN(CC1=CC=C(CNC(=O)C2=NC(=O)N[N-]2)C=C1)C(=O)C1=NSNC1=O	REAL300033209209	0	41	-1.0	-54.90	373.88	-0.20	-55.10
CN(CC1=CC=C(CNC(=O)C2=NSNC2=O)C=C1)C(=O)C1=NC=CC=C1[O-]	REAL300033209395	1	44	-1.0	-67.54	391.19	4.81	-62.73
CN(CC1=CC=C(CNC(=O)C2=NSNC2=O)C=C1)C(=O)C1=COC(=O)[N-]1	REAL300033209630	1	41	-1.0	-52.99	373.20	1.11	-51.88
CN(CC1=CC=C(CNC(=O)C2=NSNC2=O)C=C1)C(=O)C1=CC(=O)N[N-]1	REAL300033209700	0	42	-1.0	-54.98	378.05	1.05	-53.93
CN(CC1=CC=C(CNC(=O)C2=NSNC2=O)C=C1)C(=O)C1=NC(=O)N[N-]1	REAL300033209715	0	41	-1.0	-53.58	373.47	0.34	-53.24
CN(CC1=CC=C(CNC(=O)C2=NSNC2=O)C=C1)C(=O)C1=CN=CC([O-])=C1	REAL300033209776	1	44	-1.0	-63.11	391.02	2.05	-61.06
CN(CC1=CC=C(CNC(=O)C2=NSNC2=O)C=C1)C(=O)C1=CC=NC=C1[O-]	REAL300033209899	0	44	-1.0	-65.66	390.98	2.86	-62.80
CN(CC1=CC=C(CNC(=O)C2=NSNC2=O)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300033209901	0	41	-1.0	-59.77	373.01	1.12	-58.65
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=NSNC1=O	REAL300033210095	0	41	-1.0	-58.93	373.01	1.55	-57.38
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1	REAL300033211367	0	40	-1.0	-56.34	340.24	-1.72	-58.06
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CN2C(=O)[N-]NC2=O)CC1	REAL300033211451	0	42	-1.0	-57.27	357.29	-0.22	-57.49
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1	REAL300033212042	0	42	-1.0	-67.08	353.23	3.96	-63.12
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1	REAL300033212156	0	42	-1.0	-50.33	353.77	-0.93	-51.26
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300033212167	1	38	-1.0	-51.14	323.57	0.56	-50.58
CCN1[N-]C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300033212337	0	45	-1.0	-54.15	372.71	3.09	-51.06
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=CC(=O)N[N-]2)CC1	REAL300033212345	1	42	-1.0	-60.56	352.28	0.86	-59.70
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC(=S)N2[O-])CC1	REAL300033212363	0	42	-1.0	-84.77	360.93	5.70	-79.07
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2SC(=O)[N-]C2=O)CC1	REAL300033212372	0	42	-1.0	-51.65	365.64	-0.60	-52.25
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1	REAL300033212388	0	41	-1.0	-57.52	345.74	0.62	-56.90
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300033212477	0	40	-1.0	-46.49	333.92	1.85	-44.64
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300033212576	0	39	-1.0	-51.31	327.86	0.51	-50.80
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C(=O)[PH](C)(C)[O-])CC1	REAL300033212581	0	44	-1.0	-49.32	362.15	1.39	-47.93
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1	REAL300033212612	0	42	-1.0	-70.10	353.39	3.94	-66.16
CC1SC(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)CC2)=NC1=O	REAL300033212640	0	41	-1.0	-56.41	355.10	1.25	-55.16
CC1=C([O-])N=C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)CC2)S1	REAL300033212640	1	41	-1.0	-56.41	355.10	1.25	-55.16
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)C=C(Cl)N2)CC1	REAL300033212654	0	41	-1.0	-48.08	358.69	3.97	-44.11
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1	REAL300033212654	1	41	-1.0	-48.08	358.69	3.97	-44.11
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1	REAL300033212671	0	42	-1.0	-67.41	353.92	3.94	-63.47
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1	REAL300033212704	0	42	-1.0	-81.37	349.82	4.72	-76.65
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=C([O-])N=C(N)S2)CC1	REAL300033212827	0	43	-1.0	-68.10	372.95	-0.72	-68.82
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=NC([O-])=CS2)CC1	REAL300033212872	0	41	-1.0	-70.54	358.13	0.14	-70.40
CCC1=NC=C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)CC2)C(=O)N1	REAL300033212890	0	46	-1.0	-55.22	378.05	2.21	-53.01
CCC1=NC=C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300033212890	1	46	-1.0	-55.22	378.05	2.21	-53.01
CC1=CC(=O)C(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300033213101	0	43	-1.0	-54.62	357.39	4.15	-50.47
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NNC(=O)[N-]2)CC1	REAL300033213116	0	38	-1.0	-54.88	322.56	-0.99	-55.87
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=C(C=N[O-])S2)CC1	REAL300033213227	0	41	-1.0	-65.21	363.92	1.49	-63.72
COC1=NC(C(=O)N2CCC(N(C)C(=O)C3=NSNC3=O)CC2)=CC(=O)[N-]1	REAL300033213240	0	44	-1.0	-55.34	367.22	-0.96	-56.30
CN(C(=O)C1=NC=CC=C1[O-])C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033213496	1	41	-1.0	-63.24	340.32	4.15	-59.09
CN(C(=O)C1=NNC(=O)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033213609	0	40	-1.0	-57.28	339.88	-1.72	-59.00
CN(C(=O)CN1C(=O)[N-]NC1=O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033213747	0	42	-1.0	-57.19	356.82	-0.31	-57.50
CN(C(=O)C1=CC(Cl)=CC=C1[O-])C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033214849	1	42	-1.0	-58.09	363.91	4.43	-53.66
CN(C(=O)C1=CC([O-])=CC(C#N)=C1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033214872	1	43	-1.0	-54.13	367.94	3.67	-50.46
CCC1=NC=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300033214939	1	46	-1.0	-56.54	382.81	2.21	-54.33
CN(C(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033214954	1	38	-1.0	-51.27	323.56	0.44	-50.83
CN(C(=O)C[N-]C(=O)C(F)(F)F)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215020	0	41	-1.0	-51.02	361.02	-0.05	-51.07
CN(C(=O)CC1=C([O-])N=C(N)S1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215021	0	43	-1.0	-71.01	372.49	-0.82	-71.83
CN(C(=O)C1=CC=C([O-])C=C1F)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215040	1	42	-1.0	-56.16	353.36	3.14	-53.02
CN(C(=O)C1=CC([O-])=CC(=O)O1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215046	0	41	-1.0	-53.00	348.64	2.76	-50.24
CN(C(=O)C1=CC=C(C#N)C([O-])=C1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215052	1	43	-1.0	-53.48	367.25	3.72	-49.76
CN(C(=O)C1=CC(Cl)=NC=C1[O-])C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215055	0	41	-1.0	-54.89	359.11	2.36	-52.53
CN(C(=O)CN1N=CC(=O)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215067	0	43	-1.0	-62.82	367.17	-1.43	-64.25
CC1=CC=C([O-])C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)CC2)=N1	REAL300033215121	1	44	-1.0	-64.01	361.92	4.73	-59.28
CN(C(=O)C1=C[N-]N=CC1=O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215138	0	40	-1.0	-49.30	341.73	1.89	-47.41
CN(C(=O)C1=CC=CC(F)=C1[O-])C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215145	0	42	-1.0	-66.12	352.70	4.17	-61.95
CN(C(=O)C1=CC=CC([O-])=C1F)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215220	1	42	-1.0	-64.64	352.95	3.37	-61.27
CN(C(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215302	0	39	-1.0	-51.58	328.40	0.37	-51.21
CN(C(=O)C(=O)[PH](C)(C)[O-])C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215307	0	44	-1.0	-49.50	362.83	1.85	-47.65
CN(C(=O)C1=CC(=O)N([O-])C=C1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215381	0	42	-1.0	-70.39	350.20	3.81	-66.58
CN(C(=O)C1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215405	0	38	-1.0	-55.29	323.60	-1.16	-56.45
CN(C(=O)C1=CC=CN([O-])C1=O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215410	0	42	-1.0	-71.74	358.02	4.01	-67.73
CN(C(=O)C1=CC(F)=CC=C1O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215545	0	42	-1.0	-57.54	353.59	3.99	-53.55
CN(C(=O)C1=CC(F)=CC=C1[O-])C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215545	1	42	-1.0	-57.54	353.59	3.99	-53.55
CC1=CC=NC(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)CC2)=C1O	REAL300033215603	0	44	-1.0	-62.82	360.63	4.84	-57.98
CC1=CC=NC(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)CC2)=C1[O-]	REAL300033215603	1	44	-1.0	-62.82	360.63	4.84	-57.98
CN(C(=O)C1=CN=CC(O)=C1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215695	0	41	-1.0	-52.97	341.93	1.50	-51.47
CN(C(=O)C1=CN=CC([O-])=C1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215695	1	41	-1.0	-52.97	341.93	1.50	-51.47
CN(C(=O)C1=CC=CC(=S)N1[O-])C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215705	0	42	-1.0	-81.73	362.96	5.14	-76.59
CN(C(=O)C1=CC=C([O-])C(Cl)=N1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215802	0	41	-1.0	-48.31	358.58	2.96	-45.35
CN(C(=O)C1=CC=C(O)C=C1Cl)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215839	0	42	-1.0	-54.81	361.97	3.57	-51.24
CN(C(=O)C1=CC=C([O-])C=C1Cl)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215839	1	42	-1.0	-54.81	361.97	3.57	-51.24
CN(C(=O)CC1=NC([O-])=CS1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215846	0	41	-1.0	-72.29	357.68	0.06	-72.23
CN(C(=O)CN1[N-]C(=O)C=CC1=O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215860	0	44	-1.0	-57.84	372.93	0.67	-57.17
CN(C(=O)CC1SC(=O)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215936	0	42	-1.0	-51.71	364.94	-0.72	-52.43
CN(C(=O)C1=CC=C([O-])C(F)=C1F)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215956	0	42	-1.0	-56.74	359.93	3.45	-53.29
CN(C(=O)C1=CC=CC(Cl)=C1[O-])C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033215962	0	42	-1.0	-60.93	362.50	4.66	-56.27
CC1=CC(=O)C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300033215985	0	43	-1.0	-54.48	357.12	4.15	-50.33
CN(C(=O)C1=CC=CC(=O)N1[O-])C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216004	0	42	-1.0	-78.21	351.84	4.36	-73.85
CN(C(=O)C1=CC=C(C#N)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216025	0	42	-1.0	-52.65	367.72	1.74	-50.91
CN(C(=O)C1=NN(C)C(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216066	0	41	-1.0	-58.04	346.37	0.51	-57.53
CN(C(=O)C1=CC(C#N)=CC=C1[O-])C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216112	0	43	-1.0	-55.03	368.02	4.36	-50.67
CN(C(=O)C1=CN([O-])C(=O)NC1=O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216186	0	42	-1.0	-55.17	363.12	1.42	-53.75
CN(C(=O)C1=CC=C(F)C(O)=C1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216229	0	42	-1.0	-54.98	350.50	3.32	-51.66
CN(C(=O)C1=CC=C(F)C([O-])=C1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216229	1	42	-1.0	-54.98	350.50	3.32	-51.66
CN(C(=O)C1=CC=C(Cl)C=C1O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216244	0	42	-1.0	-63.28	363.45	4.69	-58.59
CN(C(=O)C1=CC=C(Cl)C=C1[O-])C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216244	1	42	-1.0	-63.28	363.45	4.69	-58.59
CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216300	0	40	-1.0	-54.15	341.49	-1.93	-56.08
CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216300	1	40	-1.0	-48.01	342.04	-1.16	-49.17
CN(C(=O)C1=CN=C(N)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216343	1	42	-1.0	-57.10	356.17	0.56	-56.54
CN(C(=O)C1=CC=C(F)C([O-])=C1F)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216373	0	42	-1.0	-64.14	359.89	3.45	-60.69
COC1=NC(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)CC2)=CC(=O)[N-]1	REAL300033216413	0	44	-1.0	-56.69	367.42	-0.95	-57.64
CN(C(=O)C1=NC=CC(Cl)=C1[O-])C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216418	0	41	-1.0	-59.87	356.47	4.63	-55.24
CN(C(=O)C1=CC=C(Cl)C([O-])=C1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216449	0	42	-1.0	-51.16	360.31	3.80	-47.36
CN(C(=O)C1=CC=NC=C1[O-])C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216457	0	41	-1.0	-60.43	342.32	1.88	-58.55
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216462	0	38	-1.0	-56.09	323.40	0.52	-55.57
CC1=C([O-])N=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)CC2)S1	REAL300033216480	1	41	-1.0	-57.32	355.21	1.18	-56.14
CN(C(=O)C(=O)C1=CC=C([O-])C=C1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216563	1	44	-1.0	-54.96	365.58	3.52	-51.44
CN(C(=O)C1=CN=C(C=N[O-])S1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216579	0	41	-1.0	-67.84	361.59	1.25	-66.59
CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216596	1	41	-1.0	-48.31	358.27	4.01	-44.30
CN(C(=O)C1=CC(=O)NC([O-])=C1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216614	0	42	-1.0	-50.29	358.29	-0.92	-51.21
CCN1[N-]C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300033216668	0	45	-1.0	-54.98	372.97	3.05	-51.93
CN(C(=O)C1=CC(=O)N(C)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216682	0	42	-1.0	-54.29	351.24	2.12	-52.17
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216691	0	42	-1.0	-56.37	368.14	0.00	-56.37
CN(C(=O)CC1=CC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216793	1	42	-1.0	-60.52	351.82	0.77	-59.75
CN(C(=O)C1=CC=C([O-])C(F)=C1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216798	1	42	-1.0	-56.59	350.48	3.36	-53.23
CN(C(=O)C1=CC(F)=C([O-])C(F)=C1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216834	0	42	-1.0	-57.20	358.26	3.41	-53.79
CN(C(=O)C1=CC=NC(Cl)=C1[O-])C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216838	0	41	-1.0	-58.71	358.42	2.41	-56.30
CC1=C(CC(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)CC2)C(=O)N(C)[N-]1	REAL300033216852	0	48	-1.0	-60.22	394.63	3.18	-57.04
CC1=CN=C(C(=O)N(C)C2CCN(C(=O)C3=NSNC3=O)CC2)C([O-])=C1	REAL300033216887	1	44	-1.0	-64.61	361.76	4.79	-59.82
CN(C(=O)C1=CC([O-])=CS1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216906	0	39	-1.0	-64.50	335.39	2.10	-62.40
CN(C(=O)C1=CN([O-])C(=O)C=C1)C1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033216919	0	42	-1.0	-66.12	358.54	4.03	-62.09
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1	REAL300033217068	0	42	-1.0	-53.85	350.67	2.21	-51.64
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300033217075	0	42	-1.0	-56.32	368.60	0.12	-56.20
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1	REAL300033217224	0	40	-1.0	-55.09	343.15	-2.31	-57.40
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1	REAL300033217224	1	40	-1.0	-47.45	342.75	-1.30	-48.75
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)CC1	REAL300033217363	0	44	-1.0	-58.43	373.40	0.77	-57.66
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300033217370	0	38	-1.0	-55.75	322.81	0.47	-55.28
CN(C(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1	REAL300033217381	0	42	-1.0	-54.55	358.66	1.38	-53.17
CC(C)(NC(=O)C1=NNC(=O)[N-]C1=O)C1CCCN1C(=O)C1=NSNC1=O	REAL300033218074	0	43	-1.0	-64.17	353.11	-1.71	-65.88
CC(C)(NC(=O)CN1C(=O)[N-]NC1=O)C1CCCN1C(=O)C1=NSNC1=O	REAL300033218116	0	45	-1.0	-62.95	366.26	-0.49	-63.44
CC(C)(NC(=O)C1=CN([O-])C(=O)C=C1)C1CCCN1C(=O)C1=NSNC1=O	REAL300033218399	0	45	-1.0	-72.08	363.21	3.98	-68.10
CC(C)(NC(=O)C1=CC(=O)NC([O-])=C1)C1CCCN1C(=O)C1=NSNC1=O	REAL300033218463	0	45	-1.0	-51.98	363.69	-0.93	-52.91
CC(C)(NC(=O)C1=COC(=O)[N-]1)C1CCCN1C(=O)C1=NSNC1=O	REAL300033218474	1	41	-1.0	-68.47	336.72	-0.49	-68.96
CCN1[N-]C(C(=O)NC(C)(C)C2CCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300033218567	0	48	-1.0	-67.69	386.09	3.15	-64.54
CC(C)(NC(=O)CC1=CC(=O)N[N-]1)C1CCCN1C(=O)C1=NSNC1=O	REAL300033218573	1	45	-1.0	-66.35	361.25	0.53	-65.82
CN1N=C(C(=O)NC(C)(C)C2CCCN2C(=O)C2=NSNC2=O)[N-]C1=O	REAL300033218589	0	44	-1.0	-69.68	358.74	0.73	-68.95
CC(C)(NC(=O)C1=C[N-]N=CC1=O)C1CCCN1C(=O)C1=NSNC1=O	REAL300033218633	0	43	-1.0	-47.59	344.26	2.06	-45.53
CC(C)(NC(=O)C1=CC(=O)N[N-]1)C1CCCN1C(=O)C1=NSNC1=O	REAL300033218684	0	42	-1.0	-64.45	341.50	0.51	-63.94
CC(C)(NC(=O)C(=O)[PH](C)(C)[O-])C1CCCN1C(=O)C1=NSNC1=O	REAL300033218688	0	47	-1.0	-56.68	374.72	1.35	-55.33
CC(C)(NC(=O)CCC1=NNC(=O)[N-]1)C1CCCN1C(=O)C1=NSNC1=O	REAL300033218705	0	47	-1.0	-58.69	376.60	0.10	-58.59
CC(C)(NC(=O)C1=CC=CN([O-])C1=O)C1CCCN1C(=O)C1=NSNC1=O	REAL300033218707	0	45	-1.0	-59.43	360.80	4.08	-55.35
CC1SC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=NSNC2=O)=NC1=O	REAL300033218725	0	44	-1.0	-75.54	368.09	0.62	-74.92
CC1=C([O-])N=C(C(=O)NC(C)(C)C2CCCN2C(=O)C2=NSNC2=O)S1	REAL300033218725	1	44	-1.0	-75.54	368.09	0.62	-74.92
CC(C)(NC(=O)C1=CC(=O)N([O-])C=C1)C1CCCN1C(=O)C1=NSNC1=O	REAL300033218736	0	45	-1.0	-71.72	363.59	3.98	-67.74
CC(C)(NC(=O)C1=CC=CC(=O)N1[O-])C1CCCN1C(=O)C1=NSNC1=O	REAL300033218755	0	45	-1.0	-90.16	361.16	4.59	-85.57
CC(C)(NC(=O)CC1=NC([O-])=CS1)C1CCCN1C(=O)C1=NSNC1=O	REAL300033218839	0	44	-1.0	-78.88	367.10	-0.18	-79.06
CC1=CC(=O)C(C(=O)NC(C)(C)C2CCCN2C(=O)C2=NSNC2=O)=N[N-]1	REAL300033218958	0	46	-1.0	-68.65	370.27	4.16	-64.49
CC(C)(NC(=O)C1=NC(=O)N[N-]1)C1CCCN1C(=O)C1=NSNC1=O	REAL300033218966	0	41	-1.0	-67.61	336.14	-0.80	-68.41
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=NC=CC=C1[O-]	REAL300033219282	1	44	-1.0	-68.83	352.37	3.34	-65.49
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300033219367	0	43	-1.0	-60.87	352.04	-2.35	-63.22
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300033219445	0	45	-1.0	-62.95	369.51	-0.70	-63.65
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=COC(=O)[N-]1	REAL300033220100	1	41	-1.0	-50.62	335.69	-0.16	-50.78
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CC=C([O-])C=C1F	REAL300033220159	1	45	-1.0	-59.60	361.02	2.89	-56.71
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300033220162	0	44	-1.0	-53.11	361.74	2.88	-50.23
CC1=CC=C([O-])C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=NSNC2=O)=N1	REAL300033220202	1	47	-1.0	-59.82	375.00	4.59	-55.23
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300033220212	0	43	-1.0	-52.90	346.52	1.49	-51.41
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300033220217	0	45	-1.0	-76.47	359.82	4.22	-72.25
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CC=CC([O-])=C1F	REAL300033220263	1	45	-1.0	-74.32	360.13	2.93	-71.39
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300033220318	0	42	-1.0	-52.10	341.51	0.45	-51.65
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300033220322	0	47	-1.0	-53.42	373.97	1.10	-52.32
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300033220361	0	45	-1.0	-76.14	361.50	3.34	-72.80
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=NC(=O)N[N-]1	REAL300033220376	0	41	-1.0	-51.76	335.33	-0.79	-52.55
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CC=CN([O-])C1=O	REAL300033220379	0	45	-1.0	-60.12	363.11	3.45	-56.67
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CC(F)=CC=C1O	REAL300033220463	0	45	-1.0	-64.97	360.88	4.21	-60.76
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300033220463	1	45	-1.0	-64.97	360.88	4.21	-60.76
CC1=CC=NC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=NSNC2=O)=C1O	REAL300033220501	0	47	-1.0	-58.64	373.73	4.70	-53.94
CC1=CC=NC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=NSNC2=O)=C1[O-]	REAL300033220501	1	47	-1.0	-58.64	373.73	4.70	-53.94
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CN=CC(O)=C1	REAL300033220553	0	44	-1.0	-62.41	351.15	0.90	-61.51
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CN=CC([O-])=C1	REAL300033220553	1	44	-1.0	-62.41	351.15	0.90	-61.51
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)CC1=NC([O-])=CS1	REAL300033220622	0	44	-1.0	-75.87	370.41	-0.33	-76.20
CC1=CC(=O)C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=NSNC2=O)=N[N-]1	REAL300033220701	0	46	-1.0	-58.07	369.24	3.53	-54.54
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300033220711	0	45	-1.0	-91.07	359.63	4.12	-86.95
CN1N=C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=NSNC2=O)[N-]C1=O	REAL300033220744	0	44	-1.0	-61.69	358.08	0.11	-61.58
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CC=C(F)C(O)=C1	REAL300033220842	0	45	-1.0	-60.60	361.79	2.85	-57.75
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300033220842	1	45	-1.0	-60.60	361.79	2.85	-57.75
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300033220880	0	43	-1.0	-54.79	354.54	-2.02	-56.81
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300033220880	1	43	-1.0	-49.57	354.29	-1.72	-51.29
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300033220908	1	45	-1.0	-52.74	364.77	0.11	-52.63
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CC=NC=C1[O-]	REAL300033220973	0	44	-1.0	-72.29	348.81	2.40	-69.89
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300033220978	0	41	-1.0	-57.95	335.54	0.08	-57.87
CC1=C([O-])N=C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=NSNC2=O)S1	REAL300033220990	1	44	-1.0	-55.53	367.49	0.61	-54.92
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300033221071	0	45	-1.0	-57.11	361.65	-1.55	-58.66
CCN1[N-]C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=NSNC2=O)=CC1=O	REAL300033221107	0	48	-1.0	-57.98	385.10	2.58	-55.40
CN1[N-]C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=NSNC2=O)=CC1=O	REAL300033221119	0	45	-1.0	-57.59	363.20	1.59	-56.00
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)CC1=CC(=O)N[N-]1	REAL300033221181	1	45	-1.0	-56.42	365.34	0.88	-55.54
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300033221185	1	45	-1.0	-62.06	361.76	2.88	-59.18
CC1=CN=C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=NSNC2=O)C([O-])=C1	REAL300033221231	1	47	-1.0	-69.84	373.92	4.06	-65.78
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CC([O-])=CS1	REAL300033221242	0	42	-1.0	-67.71	347.98	1.71	-66.00
CC(C)(NC(=O)C1=NSNC1=O)C1CCCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300033221251	0	45	-1.0	-73.03	361.73	3.33	-69.70
CN1[N-]C(C(=O)NC(C)(C)C2CCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300033221331	0	45	-1.0	-66.97	364.31	2.22	-64.75
CC(C)(NC(=O)C1=NC(=O)[N-]C(=O)N1)C1CCCN1C(=O)C1=NSNC1=O	REAL300033221399	0	43	-1.0	-49.87	354.33	-2.43	-52.30
CC(C)(NC(=O)C1=NC(=O)NC(=O)[N-]1)C1CCCN1C(=O)C1=NSNC1=O	REAL300033221399	1	43	-1.0	-49.87	354.33	-2.43	-52.30
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=NSNC1=O	REAL300033221488	0	41	-1.0	-68.20	336.30	0.98	-67.22
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=NNC(=O)[N-]C1=O	REAL300033222665	0	40	-1.0	-55.39	343.61	-1.55	-56.94
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)CN1C(=O)[N-]NC1=O	REAL300033222749	0	42	-1.0	-57.15	359.64	-0.08	-57.23
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CN([O-])C(=O)C=C1	REAL300033223340	0	42	-1.0	-66.42	361.91	4.29	-62.13
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)NC([O-])=C1	REAL300033223454	0	42	-1.0	-62.23	363.07	-0.74	-62.97
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=COC(=O)[N-]1	REAL300033223465	1	38	-1.0	-60.64	327.15	0.63	-60.01
CCN1[N-]C(C(=O)N(C)CC2CCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300033223635	0	45	-1.0	-55.29	376.29	3.31	-51.98
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300033223643	1	42	-1.0	-58.82	355.70	0.98	-57.84
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CC(=S)N1[O-]	REAL300033223661	0	42	-1.0	-80.34	372.85	4.64	-75.70
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)CC1SC(=O)[N-]C1=O	REAL300033223670	0	42	-1.0	-49.69	368.82	-0.51	-50.20
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=NN(C)C(=O)[N-]1	REAL300033223686	0	41	-1.0	-73.75	350.88	0.66	-73.09
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=C[N-]N=CC1=O	REAL300033223775	0	40	-1.0	-49.99	345.16	2.14	-47.85
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N[N-]1	REAL300033223874	0	39	-1.0	-51.88	331.74	0.67	-51.21
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C(=O)[PH](C)(C)[O-]	REAL300033223879	0	44	-1.0	-51.47	366.89	2.14	-49.33
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)CCC1=NC(=O)NN1	REAL300033223906	0	44	-1.0	-62.29	370.95	0.02	-62.27
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)CCC1=NC(=O)[N-]N1	REAL300033223906	1	44	-1.0	-62.29	370.95	0.02	-62.27
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CN([O-])C1=O	REAL300033223910	0	42	-1.0	-71.54	361.46	4.27	-67.27
CC1SC(C(=O)N(C)CC2CCCN2C(=O)C2=NSNC2=O)=NC1=O	REAL300033223938	0	41	-1.0	-58.65	358.95	1.42	-57.23
CC1=C([O-])N=C(C(=O)N(C)CC2CCCN2C(=O)C2=NSNC2=O)S1	REAL300033223938	1	41	-1.0	-58.65	358.95	1.42	-57.23
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)C=C(Cl)N1	REAL300033223952	0	41	-1.0	-48.37	361.97	4.26	-44.11
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300033223952	1	41	-1.0	-48.37	361.97	4.26	-44.11
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N([O-])C=C1	REAL300033223969	0	42	-1.0	-64.88	362.57	4.25	-60.63
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CC(=O)N1[O-]	REAL300033224002	0	42	-1.0	-76.73	361.74	4.02	-72.71
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C[N-]C(=O)C(F)(F)F	REAL300033224124	0	41	-1.0	-50.39	365.14	0.19	-50.20
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)CC1=C([O-])N=C(N)S1	REAL300033224125	0	43	-1.0	-70.48	376.35	-0.61	-71.09
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)CC1=NC([O-])=CS1	REAL300033224170	0	41	-1.0	-70.20	361.54	0.27	-69.93
CCC1=NC=C(C(=O)N(C)CC2CCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033224188	1	46	-1.0	-59.74	386.59	2.45	-57.29
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300033224197	0	43	-1.0	-59.35	369.98	-1.19	-60.54
CC1=CC(=O)C(C(=O)N(C)CC2CCCN2C(=O)C2=NSNC2=O)=N[N-]1	REAL300033224399	0	43	-1.0	-54.65	360.78	4.31	-50.34
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=NNC(=O)[N-]1	REAL300033224414	0	38	-1.0	-54.45	326.92	-0.87	-55.32
CN(CC1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CN=C(C=N[O-])S1	REAL300033224525	0	41	-1.0	-65.69	364.99	1.52	-64.17
COC1=NC(C(=O)N(C)CC2CCCN2C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300033224538	0	44	-1.0	-55.75	370.26	-0.70	-56.45
CN(CC1CCCN1C(=O)C1=NC=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300033224794	1	41	-1.0	-63.38	344.14	4.25	-59.13
CN(CC1CCCN1C(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300033224907	0	40	-1.0	-55.93	343.20	-1.51	-57.44
CN(CC1CCCN1C(=O)CN1C(=O)[N-]NC1=O)C(=O)C1=NSNC1=O	REAL300033225045	0	42	-1.0	-56.72	360.81	-0.02	-56.74
CN(CC1CCCN1C(=O)C1=CC(Cl)=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300033226147	1	42	-1.0	-89.31	347.77	5.42	-83.89
CN(CC1CCCN1C(=O)C1=CC([O-])=CC(C#N)=C1)C(=O)C1=NSNC1=O	REAL300033226170	1	43	-1.0	-57.65	358.52	4.27	-53.38
CCC1=NC=C(C(=O)N2CCCC2CN(C)C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033226237	1	46	-1.0	-43.33	353.05	1.86	-41.47
CN(CC1CCCN1C(=O)C1=COC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300033226252	1	38	-1.0	-52.44	326.85	0.53	-51.91
CN(CC1CCCN1C(=O)C[N-]C(=O)C(F)(F)F)C(=O)C1=NSNC1=O	REAL300033226318	0	41	-1.0	-50.79	365.26	0.27	-50.52
CN(CC1CCCN1C(=O)CC1=C([O-])N=C(N)S1)C(=O)C1=NSNC1=O	REAL300033226319	0	43	-1.0	-71.30	376.48	-0.52	-71.82
CN(CC1CCCN1C(=O)C1=CC=C([O-])C=C1F)C(=O)C1=NSNC1=O	REAL300033226338	1	42	-1.0	-61.85	342.20	3.98	-57.87
CN(CC1CCCN1C(=O)C1=CC([O-])=CC(=O)O1)C(=O)C1=NSNC1=O	REAL300033226344	0	41	-1.0	-64.32	351.56	2.93	-61.39
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CC(CCNC(=O)CN1N=CC(=O)[N-]C1=O)N(C)C(=O)C1=NSNC1=O	REAL300033232439	0	42	-1.0	-70.68	371.73	-2.53	-73.21
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CC(CCNC(=O)C1=CN=C(C=N[O-])S1)N(C)C(=O)C1=NSNC1=O	REAL300033232894	0	40	-1.0	-69.19	371.09	0.58	-68.61
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=NC=CC=C1[O-]	REAL300033233175	1	40	-1.0	-78.17	347.28	2.72	-75.45
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300033233283	1	46	-1.0	-74.05	399.72	0.90	-73.15
CC(=O)[N-]C1=NC(C(=O)N(C)C(C)CCNC(=O)C2=NSNC2=O)=CS1	REAL300033233293	1	43	-1.0	-57.48	385.41	0.85	-56.63
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=NNC(=O)[N-]C1=O	REAL300033233315	0	39	-1.0	-70.48	346.85	-3.13	-73.61
COC1=C(C(=O)N(C)C(C)CCNC(=O)C2=NSNC2=O)NC(=O)[N-]C1=O	REAL300033233359	1	44	-1.0	-64.63	389.29	-3.48	-68.11
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)CN1C(=O)[N-]NC1=O	REAL300033233499	0	41	-1.0	-73.37	363.76	-1.75	-75.12
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)CCCN1C(=O)[N-]NC1=O	REAL300033234287	0	47	-1.0	-69.32	406.28	-0.51	-69.83
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300033234458	1	46	-1.0	-62.82	396.48	1.38	-61.44
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=NC(N)=CC(=O)[N-]1	REAL300033236030	0	41	-1.0	-73.72	359.42	-1.28	-75.00
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300033236086	0	41	-1.0	-63.38	367.06	2.40	-60.98
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC(F)=CC=C1[O-]	REAL300033236092	1	41	-1.0	-77.27	359.78	2.70	-74.57
CC1=CC=NC(C(=O)N(C)C(C)CCNC(=O)C2=NSNC2=O)=C1[O-]	REAL300033236171	1	43	-1.0	-77.95	367.91	3.39	-74.56
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CN=CC([O-])=C1	REAL300033236315	1	40	-1.0	-62.75	348.30	0.08	-62.67
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=CC(=S)N1[O-]	REAL300033236327	0	41	-1.0	-82.16	376.50	3.00	-79.16
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300033236460	1	43	-1.0	-61.38	379.78	0.31	-61.07
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300033236464	0	40	-1.0	-57.56	365.92	1.54	-56.02
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=C([O-])C=C1Cl	REAL300033236520	1	41	-1.0	-66.40	363.97	2.33	-64.07
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300033236522	0	44	-1.0	-68.66	387.20	0.95	-67.71
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)CC1=NC([O-])=CS1	REAL300033236531	0	40	-1.0	-86.40	364.59	-1.39	-87.79
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300033236551	0	43	-1.0	-73.15	379.87	-0.77	-73.92
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=C(F)C=C1[O-]	REAL300033236553	0	41	-1.0	-81.49	355.57	3.39	-78.10
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)CC1SC(=O)[N-]C1=O	REAL300033236662	0	41	-1.0	-64.03	371.86	-2.16	-66.19
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=C([O-])C(F)=C1F	REAL300033236687	0	41	-1.0	-66.85	366.13	2.02	-64.83
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300033236690	1	42	-1.0	-54.73	377.41	0.51	-54.22
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300033236695	0	41	-1.0	-73.49	369.38	3.19	-70.30
CC1=CC(=O)C(C(=O)N(C)C(C)CCNC(=O)C2=NSNC2=O)=N[N-]1	REAL300033236726	0	42	-1.0	-68.23	364.06	2.72	-65.51
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300033236731	0	46	-1.0	-80.98	395.71	2.31	-78.67
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=CC(=O)N1[O-]	REAL300033236756	0	41	-1.0	-80.36	365.39	2.37	-77.99
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300033236784	0	41	-1.0	-71.97	375.09	0.29	-71.68
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300033236785	0	43	-1.0	-66.05	384.97	-5.14	-71.19
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300033236785	1	43	-1.0	-61.79	384.92	-5.09	-66.88
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300033236813	0	43	-1.0	-61.08	379.23	3.36	-57.72
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=NN(C)C(=O)[N-]1	REAL300033236850	0	40	-1.0	-71.38	353.14	-0.89	-72.27
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300033236877	0	43	-1.0	-64.21	379.10	-0.34	-64.55
CC(CCNC(=O)C1=NSNC1=O)N(C)C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300033236916	0	42	-1.0	-73.28	374.24	3.06	-70.22
O=C(C1=COC(=O)[N-]1)N1CC2CCCC(C1)N(C(=O)C1=NSNC1=O)C2	REAL300033239495	1	42	-1.0	-48.81	328.08	2.69	-46.12
O=C(CC1=CC(=O)N[N-]1)N1CC2CCCC(C1)N(C(=O)C1=NSNC1=O)C2	REAL300033239573	1	46	-1.0	-60.81	354.49	2.91	-57.90
CN1N=C(C(=O)N2CC3CCCC(C2)N(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300033239582	0	45	-1.0	-56.47	350.79	2.71	-53.76
O=C(C1=NSNC1=O)N1CC2CCCC1CN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300033239614	0	44	-1.0	-45.10	345.97	3.95	-41.15
O=C(C1=CC(=O)N[N-]1)N1CC2CCCC(C1)N(C(=O)C1=NSNC1=O)C2	REAL300033239648	0	43	-1.0	-50.97	332.37	2.80	-48.17
O=C(C1=NC(=O)N[N-]1)N1CC2CCCC(C1)N(C(=O)C1=NSNC1=O)C2	REAL300033239819	0	42	-1.0	-47.76	326.43	2.02	-45.74
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N(C(=O)C1=NC=CC=C1[O-])C2	REAL300033240113	1	45	-1.0	-65.28	344.96	6.42	-58.86
O=C(C1=COC(=O)[N-]1)N1CC2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300033240502	1	42	-1.0	-58.78	328.76	3.26	-55.52
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N(C(=O)C1=C[N-]N=CC1=O)C2	REAL300033240569	0	44	-1.0	-43.52	334.86	3.53	-39.99
O=C(C1=CC(=O)N[N-]1)N1CC2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300033240618	0	43	-1.0	-51.85	331.91	2.51	-49.34
O=C(C1=NC(=O)N[N-]1)N1CC2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300033240645	0	42	-1.0	-57.79	327.26	2.14	-55.65
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N(C(=O)C1=CN=CC([O-])=C1)C2	REAL300033240740	1	45	-1.0	-51.91	350.03	3.56	-48.35
CN1N=C(C(=O)N2CC3CCCC2CN(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300033240829	0	45	-1.0	-62.22	349.84	2.57	-59.65
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N(C(=O)C1=CC=NC=C1[O-])C2	REAL300033240938	0	45	-1.0	-66.60	350.61	4.14	-62.46
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300033240941	0	42	-1.0	-54.45	327.16	2.39	-52.06
CN1[N-]C(C(=O)N2CC3CCCC2CN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033241019	0	46	-1.0	-54.90	354.80	4.24	-50.66
O=C(CC1=CC(=O)N[N-]1)N1CC2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300033241055	1	46	-1.0	-66.97	360.54	2.88	-64.09
O=C(C1=CC([O-])=CS1)N1CC2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300033241091	0	43	-1.0	-64.60	337.90	3.67	-60.93
CN1[N-]C(C(=O)N2CC3CCCC(C2)N(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033241147	0	46	-1.0	-51.44	355.72	4.40	-47.04
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=NSNC1=O)C2	REAL300033241256	0	42	-1.0	-53.37	328.57	2.43	-50.94
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC(O)C1	REAL300033242818	0	38	-1.0	-63.33	322.76	-4.80	-68.13
O=C(CN1C(=O)[N-]NC1=O)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033242901	0	40	-1.0	-70.35	344.20	-3.68	-74.03
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC(O)C1	REAL300033243471	0	40	-1.0	-72.88	331.14	0.55	-72.33
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC(O)C1	REAL300033243585	0	40	-1.0	-52.78	345.84	-4.15	-56.93
O=C(C1=COC(=O)[N-]1)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033243596	1	36	-1.0	-60.17	308.35	-2.32	-62.49
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)=CC1=O	REAL300033243762	0	43	-1.0	-64.28	357.37	-0.25	-64.53
O=C(CC1=CC(=O)N[N-]1)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033243769	1	40	-1.0	-70.24	335.76	-2.41	-72.65
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=CC(=S)N2[O-])CC(O)C1	REAL300033243784	0	40	-1.0	-72.50	341.60	1.43	-71.07
CN1N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)[N-]C1=O	REAL300033243807	0	39	-1.0	-69.16	330.80	-2.67	-71.83
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=C[N-]N=CC2=O)CC(O)C1	REAL300033243894	0	38	-1.0	-58.30	328.70	-1.40	-59.70
O=C(C1=CC(=O)N[N-]1)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033243986	0	37	-1.0	-59.31	311.12	-2.76	-62.07
C[PH](C)([O-])C(=O)C(=O)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033243991	0	42	-1.0	-63.38	343.01	-1.48	-64.86
CN1[N-]C(CC(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)=CC1=O	REAL300033243994	0	43	-1.0	-73.63	361.94	-0.86	-74.49
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=CN([O-])C2=O)CC(O)C1	REAL300033244020	0	40	-1.0	-85.75	345.06	0.73	-85.02
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)S1	REAL300033244048	1	39	-1.0	-66.32	340.19	-1.77	-68.09
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC(O)C1	REAL300033244061	1	39	-1.0	-55.15	338.73	1.22	-53.93
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC(O)C1	REAL300033244078	0	40	-1.0	-60.69	345.67	0.76	-59.93
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC(O)C1	REAL300033244109	0	40	-1.0	-68.56	330.51	0.58	-67.98
O=C(C[N-]C(=O)C(F)(F)F)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033244225	0	39	-1.0	-63.11	345.23	-3.21	-66.32
O=C(CC1=NC([O-])=CS1)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033244269	0	39	-1.0	-84.84	345.05	-3.30	-88.14
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)C(=O)[N-]1	REAL300033244287	1	44	-1.0	-56.61	354.71	-0.02	-56.63
O=C(CN1N=CC(=O)[N-]C1=O)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033244295	0	41	-1.0	-68.28	351.12	-4.61	-72.89
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)=N[N-]1	REAL300033244491	0	41	-1.0	-61.84	341.55	0.97	-60.87
O=C(C1=NC(=O)N[N-]1)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033244504	0	36	-1.0	-61.09	308.13	-3.20	-64.29
O=C(C1=CN=C(C=N[O-])S1)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033244611	0	39	-1.0	-74.02	341.16	-1.96	-75.98
COC1=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)=CC(=O)[N-]1	REAL300033244623	0	42	-1.0	-67.09	355.92	-4.56	-71.65
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=NC=CC=C2[O-])CC(O)C1	REAL300033244879	1	39	-1.0	-67.23	322.94	1.25	-65.98
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC(O)C1	REAL300033245000	0	38	-1.0	-63.33	322.76	-4.80	-68.13
O=C(CN1C(=O)[N-]NC1=O)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033245155	0	40	-1.0	-70.35	344.20	-3.68	-74.03
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC(O)C1	REAL300033246419	1	40	-1.0	-71.82	348.80	1.63	-70.19
N#CC1=CC([O-])=CC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)=C1	REAL300033246443	1	41	-1.0	-56.64	346.64	0.36	-56.28
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)C(=O)[N-]1	REAL300033246523	1	44	-1.0	-56.61	354.71	-0.02	-56.63
O=C(C1=COC(=O)[N-]1)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033246541	1	36	-1.0	-60.17	308.35	-2.32	-62.49
O=C(C[N-]C(=O)C(F)(F)F)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033246605	0	39	-1.0	-63.11	345.23	-3.21	-66.32
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C([O-])C=C2F)CC(O)C1	REAL300033246626	1	40	-1.0	-59.41	338.67	0.06	-59.35
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC(O)C1	REAL300033246632	0	39	-1.0	-61.20	331.39	-0.36	-61.56
N#CC1=CC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)C=C1[O-]	REAL300033246638	1	41	-1.0	-47.25	352.81	0.37	-46.88
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])CC(O)C1	REAL300033246641	0	39	-1.0	-66.72	343.93	-0.29	-67.01
O=C(CN1N=CC(=O)[N-]C1=O)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033246656	0	41	-1.0	-68.28	351.12	-4.61	-72.89
CC1=CC=C([O-])C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)=N1	REAL300033246716	1	42	-1.0	-69.43	346.14	1.63	-67.80
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=C[N-]N=CC2=O)CC(O)C1	REAL300033246733	0	38	-1.0	-58.30	328.70	-1.40	-59.70
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=CC(F)=C2[O-])CC(O)C1	REAL300033246742	0	40	-1.0	-77.98	328.87	1.65	-76.33
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=CC([O-])=C2F)CC(O)C1	REAL300033246827	1	40	-1.0	-75.95	329.18	0.18	-75.77
O=C(C1=CC(=O)N[N-]1)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033246923	0	37	-1.0	-59.31	311.12	-2.76	-62.07
C[PH](C)([O-])C(=O)C(=O)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033246929	0	42	-1.0	-63.38	343.01	-1.48	-64.86
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC(O)C1	REAL300033247012	0	40	-1.0	-60.69	345.67	0.76	-59.93
O=C(C1=NC(=O)N[N-]1)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033247035	0	36	-1.0	-61.09	308.13	-3.20	-64.29
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=C([O-])C=CC=C2Cl)CC(O)C1	REAL300033247037	1	40	-1.0	-60.97	352.50	0.45	-60.52
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=CN([O-])C2=O)CC(O)C1	REAL300033247041	0	40	-1.0	-85.75	345.06	0.73	-85.02
NC1=CC(=O)[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)=N1	REAL300033247149	0	40	-1.0	-66.59	329.13	-2.11	-68.70
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC(O)C1	REAL300033247192	0	40	-1.0	-55.80	348.57	0.51	-55.29
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(F)=CC=C2[O-])CC(O)C1	REAL300033247197	1	40	-1.0	-70.96	338.49	1.19	-69.77
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)=C1[O-]	REAL300033247259	1	42	-1.0	-72.80	342.92	1.97	-70.83
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CN=CC([O-])=C2)CC(O)C1	REAL300033247359	1	39	-1.0	-69.37	320.75	-1.93	-71.30
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=CC(=S)N2[O-])CC(O)C1	REAL300033247368	0	40	-1.0	-72.50	341.60	1.43	-71.07
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC(O)C1	REAL300033247469	0	39	-1.0	-57.19	340.17	0.08	-57.11
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C([O-])C=C2Cl)CC(O)C1	REAL300033247504	1	40	-1.0	-56.44	347.33	0.49	-55.95
O=C(CC1=NC([O-])=CS1)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033247515	0	39	-1.0	-84.84	345.05	-3.30	-88.14
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=C([O-])C=CC=C2F)CC(O)C1	REAL300033247530	0	40	-1.0	-63.92	345.48	0.21	-63.71
O=C(CN1[N-]C(=O)C=CC1=O)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033247531	0	42	-1.0	-70.59	356.87	-2.51	-73.10
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C(F)C=C2[O-])CC(O)C1	REAL300033247532	0	40	-1.0	-76.26	338.47	1.21	-75.05
CC1=CC=C(F)C([O-])=C1C(=O)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033247562	0	43	-1.0	-73.20	364.94	0.76	-72.44
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])CC(O)C1	REAL300033247650	0	40	-1.0	-70.20	344.03	1.12	-69.08
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)=N[N-]1	REAL300033247678	0	41	-1.0	-61.84	341.55	0.97	-60.87
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC(O)C1	REAL300033247702	0	40	-1.0	-68.56	330.51	0.58	-67.98
N#CC1=CC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)C(=O)[N-]1	REAL300033247726	0	40	-1.0	-65.89	355.28	-1.62	-67.51
CN1N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)[N-]C1=O	REAL300033247768	0	39	-1.0	-69.16	330.80	-2.67	-71.83
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=C(F)C=CC(O)=C2O)CC(O)C1	REAL300033247814	0	41	-1.0	-65.21	356.25	-1.72	-66.93
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC(O)C1	REAL300033247814	1	41	-1.0	-65.21	356.25	-1.72	-66.93
N#CC1=CC=C([O-])C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)=C1	REAL300033247823	0	41	-1.0	-67.25	352.92	1.56	-65.69
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC(O)C1	REAL300033247903	0	40	-1.0	-59.92	335.59	-0.81	-60.73
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C(F)C(O)=C2)CC(O)C1	REAL300033247954	0	40	-1.0	-72.75	338.80	-0.01	-72.76
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC(O)C1	REAL300033247954	1	40	-1.0	-72.75	338.80	-0.01	-72.76
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])CC(O)C1	REAL300033247972	1	40	-1.0	-75.69	348.79	1.66	-74.03
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC(O)C1	REAL300033248035	0	38	-1.0	-52.99	321.52	-3.42	-56.41
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC(O)C1	REAL300033248035	1	38	-1.0	-52.99	321.52	-3.42	-56.41
NC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)C(=O)N1	REAL300033248089	0	40	-1.0	-57.09	328.09	-1.68	-58.77
NC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)C(=O)[N-]1	REAL300033248089	1	40	-1.0	-57.09	328.09	-1.68	-58.77
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])CC(O)C1	REAL300033248170	0	39	-1.0	-67.69	337.37	2.02	-65.67
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033248222	0	36	-1.0	-67.91	308.45	-2.93	-70.84
CC1SC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)=NC1=O	REAL300033248244	0	39	-1.0	-66.32	340.19	-1.77	-68.09
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)S1	REAL300033248244	1	39	-1.0	-66.32	340.19	-1.77	-68.09
O=C(C(=O)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1)C1=CC=C(O)C=C1	REAL300033248332	0	42	-1.0	-60.21	349.90	0.22	-59.99
O=C(C(=O)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1)C1=CC=C([O-])C=C1	REAL300033248332	1	42	-1.0	-60.21	349.90	0.22	-59.99
O=C(C1=CN=C(C=N[O-])S1)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033248349	0	39	-1.0	-74.02	341.16	-1.96	-75.98
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(=O)C=C(Cl)N2)CC(O)C1	REAL300033248368	0	39	-1.0	-55.15	338.73	1.22	-53.93
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC(O)C1	REAL300033248368	1	39	-1.0	-55.15	338.73	1.22	-53.93
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC(O)C1	REAL300033248388	0	40	-1.0	-52.78	345.84	-4.15	-56.93
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)=CC1=O	REAL300033248444	0	43	-1.0	-64.28	357.37	-0.25	-64.53
CN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)=CC1=O	REAL300033248461	0	40	-1.0	-63.46	335.56	-1.18	-64.64
O=C(CC1=CC(=O)NN1)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033248591	0	40	-1.0	-70.24	335.76	-2.41	-72.65
O=C(CC1=CC(=O)N[N-]1)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033248591	1	40	-1.0	-70.24	335.76	-2.41	-72.65
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C(O)C(F)=C2)CC(O)C1	REAL300033248596	0	40	-1.0	-54.96	338.82	0.03	-54.93
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC(O)C1	REAL300033248596	1	40	-1.0	-54.96	338.82	0.03	-54.93
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])CC(O)C1	REAL300033248643	0	39	-1.0	-73.28	343.26	-0.29	-73.57
CC1=CN=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)C(O)=C1	REAL300033248693	0	42	-1.0	-73.92	343.15	2.06	-71.86
CC1=CN=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)C([O-])=C1	REAL300033248693	1	42	-1.0	-73.92	343.15	2.06	-71.86
O=C(C1=CC([O-])=CS1)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033248712	0	37	-1.0	-76.05	315.77	-1.35	-77.40
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC(O)C1	REAL300033248728	0	40	-1.0	-72.88	331.14	0.55	-72.33
CN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(O)C2)=CC1=O	REAL300033248871	0	40	-1.0	-63.46	335.56	-1.18	-64.64
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC(O)C1	REAL300033249022	0	38	-1.0	-65.05	322.40	-4.35	-69.40
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC(O)C1	REAL300033249022	1	38	-1.0	-52.99	321.52	-3.42	-56.41
O=C(CN1[N-]C(=O)C=CC1=O)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033249158	0	42	-1.0	-70.59	356.87	-2.51	-73.10
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NSNC2=O)CC(O)C1	REAL300033249165	0	36	-1.0	-67.91	308.45	-2.93	-70.84
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC(O)C1	REAL300033249176	0	40	-1.0	-59.92	335.59	-0.81	-60.73
O=C(C1=COC(=O)[N-]1)N1CC(N2CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300033249924	1	41	-1.0	-56.25	347.71	-2.62	-58.87
O=C(CC1=CC(=O)N[N-]1)N1CC(N2CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300033250002	1	45	-1.0	-64.39	375.86	-1.45	-65.84
CN1N=C(C(=O)N2CC(N3CCN(C(=O)C4=NSNC4=O)CC3)C2)[N-]C1=O	REAL300033250011	0	44	-1.0	-61.28	376.42	-1.66	-62.94
O=C(C1=NSNC1=O)N1CCN(C2CN(C(=O)C3=C[N-]N=CC3=O)C2)CC1	REAL300033250043	0	43	-1.0	-56.61	361.91	0.93	-55.68
O=C(C1=CC(=O)N[N-]1)N1CC(N2CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300033250077	0	42	-1.0	-56.39	352.55	-2.05	-58.44
O=C(C1=NC(=O)N[N-]1)N1CC(N2CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300033250246	0	41	-1.0	-56.26	347.36	-3.08	-59.34
O=C(C1=NSNC1=O)N1CC(N2CCN(C(=O)C3=NC=CC=C3[O-])CC2)C1	REAL300033250540	1	44	-1.0	-66.66	373.53	1.38	-65.28
O=C(C1=NSNC1=O)N1CC(N2CCN(C(=O)C3=COC(=O)[N-]3)CC2)C1	REAL300033251015	1	41	-1.0	-50.99	347.40	-1.89	-52.88
O=C(C1=NSNC1=O)N1CC(N2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)C1	REAL300033251085	0	43	-1.0	-45.59	358.04	-0.57	-46.16
O=C(C1=NSNC1=O)N1CC(N2CCN(C(=O)C3=CC(=O)N[N-]3)CC2)C1	REAL300033251144	0	42	-1.0	-53.64	359.03	-1.75	-55.39
O=C(C1=NSNC1=O)N1CC(N2CCN(C(=O)C3=NC(=O)N[N-]3)CC2)C1	REAL300033251178	0	41	-1.0	-53.45	353.45	-2.39	-55.84
O=C(C1=NSNC1=O)N1CC(N2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)C1	REAL300033251284	1	44	-1.0	-55.91	374.23	-0.64	-56.55
CN1N=C(C(=O)N2CCN(C3CN(C(=O)C4=NSNC4=O)C3)CC2)[N-]C1=O	REAL300033251392	0	44	-1.0	-58.33	369.73	-1.79	-60.12
O=C(C1=NSNC1=O)N1CC(N2CCN(C(=O)C3=CC=NC=C3[O-])CC2)C1	REAL300033251522	0	44	-1.0	-62.08	367.44	-0.56	-62.64
O=C(C1=NSNC1=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300033251525	0	41	-1.0	-59.72	353.63	-1.79	-61.51
CN1[N-]C(C(=O)N2CCN(C3CN(C(=O)C4=NSNC4=O)C3)CC2)=CC1=O	REAL300033251612	0	45	-1.0	-57.38	380.94	0.00	-57.38
O=C(CC1=CC(=O)N[N-]1)N1CCN(C2CN(C(=O)C3=NSNC3=O)C2)CC1	REAL300033251658	1	45	-1.0	-61.47	376.34	-1.57	-63.04
O=C(C1=NSNC1=O)N1CC(N2CCN(C(=O)C3=CC([O-])=CS3)CC2)C1	REAL300033251702	0	42	-1.0	-65.65	369.11	0.07	-65.58
CN1[N-]C(C(=O)N2CC(N3CCN(C(=O)C4=NSNC4=O)CC3)C2)=CC1=O	REAL300033251759	0	45	-1.0	-59.07	375.28	-0.35	-59.42
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300033251868	0	41	-1.0	-59.17	353.67	-1.46	-60.63
C[C@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033252378	1	44	-1.0	-56.98	369.29	2.02	-54.96
C[C@H]1CN(C(=O)CCCN2C(=O)[N-]NC2=O)CCN1C(=O)C1=NSNC1=O	REAL300033253017	0	45	-1.0	-58.48	379.00	0.47	-58.01
C[C@H]1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033253233	0	43	-1.0	-56.28	366.72	-2.24	-58.52
CC(=O)[N-]C1=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@@H](C)C2)=CS1	REAL300033253234	1	41	-1.0	-41.68	354.32	1.34	-40.34
C[C@H]1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033253392	1	44	-1.0	-59.09	368.63	1.47	-57.62
COC1=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@@H](C)C2)NC(=O)[N-]C1=O	REAL300033253501	1	42	-1.0	-50.00	358.21	-2.99	-52.99
C[C@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033253615	0	37	-1.0	-51.01	320.70	-4.16	-55.17
C[C@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)C1=NSNC1=O	REAL300033253732	0	39	-1.0	-57.41	336.42	-0.76	-58.17
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@@H](C)C2)=CC1=O	REAL300033254993	0	42	-1.0	-50.95	347.88	2.14	-48.81
C[C@H]1CN(C(=O)CC2=CC(=O)N[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033255001	1	39	-1.0	-60.94	331.46	0.31	-60.63
C[C@H]1CN(C(=O)C2=CC=CC(=S)N2[O-])CCN1C(=O)C1=NSNC1=O	REAL300033255025	0	39	-1.0	-71.35	341.50	4.35	-67.00
C[C@H]1CN(C(=O)CC2SC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033255039	0	39	-1.0	-49.13	340.78	-1.56	-50.69
C[C@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033255058	0	38	-1.0	-55.30	320.89	-0.31	-55.61
C[C@H]1CN(C(=O)C2=C[N-]N=CC2=O)CCN1C(=O)C1=NSNC1=O	REAL300033255173	0	37	-1.0	-45.58	313.32	1.31	-44.27
C[C@H]1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)CCN1C(=O)C1=NSNC1=O	REAL300033255213	0	41	-1.0	-63.08	345.65	1.49	-61.59
C[C@H]1CN(C(=O)C2=CC(=O)N[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033255311	0	36	-1.0	-46.88	303.72	-0.49	-47.37
C[C@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)C1=NSNC1=O	REAL300033255316	0	41	-1.0	-46.98	338.74	1.12	-45.86
C[C@H]1CN(C(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033255365	0	39	-1.0	-71.65	333.94	3.17	-68.48
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@@H](C)C2)C(=O)N1	REAL300033255385	0	41	-1.0	-48.42	354.22	0.77	-47.65
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@@H](C)C2)C(=O)[N-]1	REAL300033255385	1	41	-1.0	-48.42	354.22	0.77	-47.65
CC1SC(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@@H](C)C2)=NC1=O	REAL300033255410	0	38	-1.0	-48.38	330.51	0.32	-48.06
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@@H](C)C2)S1	REAL300033255410	1	38	-1.0	-48.38	330.51	0.32	-48.06
C[C@H]1CN(C(=O)C2=CC(=O)C=C(Cl)N2)CCN1C(=O)C1=NSNC1=O	REAL300033255431	0	38	-1.0	-44.10	336.69	2.85	-41.25
C[C@H]1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033255431	1	38	-1.0	-44.10	336.69	2.85	-41.25
C[C@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)C1=NSNC1=O	REAL300033255453	0	39	-1.0	-66.30	331.34	3.33	-62.97
C[C@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)C1=NSNC1=O	REAL300033255513	0	39	-1.0	-67.23	330.38	3.70	-63.53
C[C@H]1CN(C(=O)CC2=C([O-])N=C(N)S2)CCN1C(=O)C1=NSNC1=O	REAL300033255684	0	40	-1.0	-68.08	348.06	-1.68	-69.76
C[C@H]1CN(C(=O)CC2=NC([O-])=CS2)CCN1C(=O)C1=NSNC1=O	REAL300033255744	0	38	-1.0	-72.02	337.31	-0.40	-72.42
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@@H](C)C2)C(=O)N1	REAL300033255769	0	43	-1.0	-47.94	353.10	1.25	-46.69
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@@H](C)C2)C(=O)[N-]1	REAL300033255769	1	43	-1.0	-47.94	353.10	1.25	-46.69
C[C@H]1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)CCN1C(=O)C1=NSNC1=O	REAL300033255858	0	35	-1.0	-48.24	323.77	0.30	-47.94
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@@H](C)C2)C(=O)[N-]1	REAL300033255965	1	44	-1.0	-48.87	366.03	-0.51	-49.38
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@@H](C)C2)=N[N-]1	REAL300033256066	0	40	-1.0	-50.56	337.87	1.69	-48.87
C[C@H]1CN(C(=O)C2=NC(=O)N[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033256085	0	35	-1.0	-44.65	302.64	-0.67	-45.32
C[C@H]1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CCN1C(=O)C1=NSNC1=O	REAL300033256110	1	40	-1.0	-49.12	352.51	2.54	-46.58
C[C@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)CCN1C(=O)C1=NSNC1=O	REAL300033256248	0	38	-1.0	-63.09	342.83	0.85	-62.24
COC1=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@@H](C)C2)=CC(=O)[N-]1	REAL300033256268	0	41	-1.0	-53.57	347.27	-1.49	-55.06
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300033256527	1	38	-1.0	-61.72	316.18	3.17	-58.55
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300033256640	1	44	-1.0	-59.18	368.78	1.66	-57.52
CC(=O)[N-]C1=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C)=CS1	REAL300033256650	1	41	-1.0	-43.01	358.45	1.78	-41.23
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300033256675	0	37	-1.0	-54.59	320.09	-2.20	-56.79
COC1=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C)NC(=O)[N-]C1=O	REAL300033256722	1	42	-1.0	-51.16	358.08	-2.83	-53.99
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300033256866	0	39	-1.0	-57.64	336.45	-0.74	-58.38
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CCCN1C(=O)[N-]NC1=O	REAL300033257696	0	45	-1.0	-57.83	374.97	0.23	-57.60
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300033257878	1	44	-1.0	-48.45	361.76	1.97	-46.48
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300033259960	0	38	-1.0	-43.80	338.52	2.43	-41.37
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300033260017	1	39	-1.0	-51.28	334.80	3.05	-48.23
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300033260019	0	42	-1.0	-56.87	357.26	2.37	-54.50
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1=NC([O-])=CS1	REAL300033260028	0	38	-1.0	-72.36	337.38	-0.38	-72.74
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300033260048	0	41	-1.0	-57.51	348.52	-0.06	-57.57
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300033260050	0	39	-1.0	-61.56	326.26	3.80	-57.76
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300033260161	0	39	-1.0	-50.40	340.53	-1.43	-51.83
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300033260188	0	39	-1.0	-55.34	336.35	2.90	-52.44
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300033260191	1	40	-1.0	-41.57	344.94	1.19	-40.38
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300033260196	0	39	-1.0	-61.18	338.01	4.12	-57.06
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C)=N[N-]1	REAL300033260228	0	40	-1.0	-51.92	337.28	3.67	-48.25
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300033260233	0	44	-1.0	-65.70	364.41	2.83	-62.87
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300033260260	0	39	-1.0	-79.20	332.77	4.00	-75.20
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300033260292	0	39	-1.0	-45.97	339.66	0.90	-45.07
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300033260293	0	41	-1.0	-55.32	357.67	-4.12	-59.44
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300033260293	1	41	-1.0	-49.85	357.60	-4.06	-53.91
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300033260321	0	41	-1.0	-45.55	349.19	3.95	-41.60
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300033260360	0	38	-1.0	-54.93	325.35	0.12	-54.81
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300033260390	0	41	-1.0	-49.48	354.86	0.71	-48.77
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300033260429	0	40	-1.0	-53.92	348.83	4.17	-49.75
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300033260539	0	39	-1.0	-50.49	331.07	0.53	-49.96
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300033260594	1	39	-1.0	-60.12	330.47	2.68	-57.44
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300033260602	1	44	-1.0	-74.65	364.23	4.60	-70.05
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300033260605	0	41	-1.0	-58.83	348.03	4.39	-54.44
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300033260608	0	41	-1.0	-50.55	351.73	4.75	-45.80
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300033260618	1	39	-1.0	-61.18	336.58	4.25	-56.93
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300033260632	0	41	-1.0	-44.71	356.74	3.56	-41.15
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300033260697	0	37	-1.0	-48.16	321.68	-2.48	-50.64
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300033260697	1	37	-1.0	-47.87	317.78	-2.02	-49.89
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300033260723	0	41	-1.0	-64.33	343.78	1.57	-62.76
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300033260759	1	44	-1.0	-65.19	361.82	5.05	-60.14
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300033260760	0	35	-1.0	-50.93	324.20	0.59	-50.34
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300033260777	1	39	-1.0	-47.71	324.12	-0.36	-48.07
CC1=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C)[N-]C(=O)C(C#N)=C1	REAL300033260805	0	42	-1.0	-50.45	362.60	1.44	-49.01
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(F)C([O-])=C1F	REAL300033260820	0	39	-1.0	-65.94	336.32	2.87	-63.07
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300033260876	1	40	-1.0	-47.43	343.27	2.10	-45.33
COC1=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C)=CC(=O)[N-]1	REAL300033260882	0	41	-1.0	-53.79	346.62	-2.01	-55.80
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300033260884	0	41	-1.0	-46.74	343.02	1.26	-45.48
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300033260892	0	38	-1.0	-59.91	336.31	4.10	-55.81
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300033260898	1	42	-1.0	-65.20	368.43	4.46	-60.74
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300033260931	0	39	-1.0	-55.89	340.28	3.16	-52.73
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=NC=C1[O-]	REAL300033260941	0	38	-1.0	-62.99	319.71	2.27	-60.72
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300033260948	0	35	-1.0	-51.84	302.85	-0.03	-51.87
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C)S1	REAL300033260978	1	38	-1.0	-49.90	331.64	0.26	-49.64
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300033261041	1	45	-1.0	-64.73	372.99	6.14	-58.59
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300033261049	1	45	-1.0	-68.73	367.62	5.93	-62.80
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300033261090	1	41	-1.0	-51.24	350.39	2.64	-48.60
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300033261119	0	38	-1.0	-63.71	342.36	0.85	-62.86
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300033261148	1	38	-1.0	-44.87	338.43	3.46	-41.41
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C)C(=O)[N-]1	REAL300033261172	1	41	-1.0	-47.32	356.35	1.22	-46.10
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300033261179	0	39	-1.0	-45.86	331.65	-1.57	-47.43
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C)=CC1=O	REAL300033261253	0	42	-1.0	-51.52	348.59	2.31	-49.21
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300033261270	0	39	-1.0	-51.29	330.71	1.65	-49.64
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300033261285	0	39	-1.0	-54.90	347.76	-0.40	-55.30
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1=CC(=O)N[N-]1	REAL300033261425	1	39	-1.0	-61.14	331.44	0.33	-60.81
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300033261431	1	39	-1.0	-53.95	330.44	2.71	-51.24
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300033261482	0	39	-1.0	-52.75	339.44	3.03	-49.72
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300033261487	0	38	-1.0	-58.44	338.57	2.27	-56.17
CC1=C(CC(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C)C(=O)N(C)[N-]1	REAL300033261504	0	45	-1.0	-61.68	374.26	2.74	-58.94
CC1=CN=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C)C([O-])=C1	REAL300033261548	1	41	-1.0	-64.13	341.96	4.25	-59.88
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CS1	REAL300033261576	0	36	-1.0	-60.95	316.33	1.70	-59.25
C[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300033261594	0	39	-1.0	-66.11	327.16	3.08	-63.03
C[C@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033261820	0	39	-1.0	-50.14	326.16	1.21	-48.93
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033261832	0	39	-1.0	-53.96	343.71	-0.84	-54.80
CC1=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@@H](C)C2)C(=S)[N-]C(=O)N1	REAL300033261833	1	41	-1.0	-63.36	356.44	0.24	-63.12
CC1(C)CN(C(=O)C2=NSNC2=O)CC2(CN(C(=O)C3=COC(=O)[N-]3)C2)O1	REAL300033263185	1	43	-1.0	-48.99	361.99	-1.06	-50.05
CC1(C)CN(C(=O)C2=NSNC2=O)CC2(CN(C(=O)C3=CC(=O)N[N-]3)C2)O1	REAL300033263238	0	44	-1.0	-45.55	366.83	-0.50	-46.05
CC1(C)CN(C(=O)C2=NSNC2=O)CC2(CN(C(=O)C3=NC(=O)N[N-]3)C2)O1	REAL300033263248	0	43	-1.0	-53.36	361.12	-1.56	-54.92
CC1(C)CN(C(=O)C2=NSNC2=O)CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300033263394	0	43	-1.0	-58.62	361.39	-0.19	-58.81
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC2(CN(C(=O)C3=NSNC3=O)C2)O1	REAL300033263550	0	43	-1.0	-56.38	361.83	-0.32	-56.70
CC(C)[C@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033264268	0	43	-1.0	-52.74	345.48	-1.90	-54.64
CC(C)[C@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)C1=NSNC1=O	REAL300033264317	0	45	-1.0	-55.42	362.32	-0.41	-55.83
CC(C)[C@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)CCN1C(=O)C1=NSNC1=O	REAL300033264663	0	45	-1.0	-59.19	363.88	3.92	-55.27
CC(C)[C@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)C1=NSNC1=O	REAL300033264738	0	45	-1.0	-44.43	363.97	-0.83	-45.26
CC(C)[C@H]1CN(C(=O)C2=COC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033264749	1	41	-1.0	-48.42	330.15	0.61	-47.81
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@@H](C(C)C)C2)=CC1=O	REAL300033264854	0	48	-1.0	-49.79	378.44	3.06	-46.73
CC(C)[C@H]1CN(C(=O)CC2=CC(=O)N[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033264861	1	45	-1.0	-58.57	358.84	0.92	-57.65
CC(C)[C@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033264880	0	44	-1.0	-52.75	352.27	0.70	-52.05
CC(C)[C@H]1CN(C(=O)C2=C[N-]N=CC2=O)CCN1C(=O)C1=NSNC1=O	REAL300033264932	0	43	-1.0	-41.36	342.34	1.79	-39.57
CC(C)[C@H]1CN(C(=O)C2=CC(=O)N[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033264990	0	42	-1.0	-46.17	333.36	0.30	-45.87
CC(C)[C@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)C1=NSNC1=O	REAL300033264995	0	47	-1.0	-45.82	367.94	1.54	-44.28
CC(C)[C@H]1CN(C(=O)CC2=CC(=O)N(C)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033264997	0	48	-1.0	-60.79	381.67	2.65	-58.14
CC(C)[C@H]1CN(C(=O)CCC2=NC(=O)[N-]N2)CCN1C(=O)C1=NSNC1=O	REAL300033265013	1	47	-1.0	-56.75	374.10	0.04	-56.71
CC(C)[C@H]1CN(C(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033265015	0	45	-1.0	-62.61	355.89	3.61	-59.00
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@@H](C(C)C)C2)S1	REAL300033265034	1	44	-1.0	-47.31	361.96	1.31	-46.00
CC(C)[C@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)C1=NSNC1=O	REAL300033265049	0	45	-1.0	-63.78	359.48	3.78	-60.00
CC(C)[C@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)C1=NSNC1=O	REAL300033265071	0	45	-1.0	-72.02	364.17	3.97	-68.05
CC(C)[C@H]1CN(C(=O)CC2=NC([O-])=CS2)CCN1C(=O)C1=NSNC1=O	REAL300033265173	0	44	-1.0	-70.04	364.71	0.18	-69.86
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@@H](C(C)C)C2)=N[N-]1	REAL300033265312	0	46	-1.0	-49.69	362.68	3.98	-45.71
CC(C)[C@H]1CN(C(=O)C2=NNC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033265322	0	41	-1.0	-49.66	329.77	-1.05	-50.71
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300033265657	1	44	-1.0	-60.70	345.50	3.90	-56.80
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300033265742	0	43	-1.0	-53.75	345.07	-1.90	-55.65
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300033265820	0	45	-1.0	-55.92	363.14	-0.02	-55.94
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=COC(=O)[N-]1	REAL300033266475	1	41	-1.0	-44.06	328.26	0.55	-43.51
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C=C1F	REAL300033266534	1	45	-1.0	-52.69	355.76	3.46	-49.23
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300033266537	0	44	-1.0	-47.72	353.80	2.56	-45.16
CC1=CC=C([O-])C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C(C)C)=N1	REAL300033266577	1	47	-1.0	-61.24	371.65	3.77	-57.47
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300033266587	0	43	-1.0	-39.79	336.57	2.03	-37.76
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300033266592	0	45	-1.0	-66.20	355.86	4.67	-61.53
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC([O-])=C1F	REAL300033266638	1	45	-1.0	-64.66	356.16	3.52	-61.14
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300033266693	0	42	-1.0	-47.28	333.14	0.46	-46.82
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300033266697	0	47	-1.0	-46.57	367.93	1.80	-44.77
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300033266736	0	45	-1.0	-66.00	357.47	4.03	-61.97
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300033266751	0	41	-1.0	-44.19	329.09	0.02	-44.17
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300033266754	0	45	-1.0	-56.71	356.12	3.75	-52.96
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(F)=CC=C1O	REAL300033266838	0	45	-1.0	-56.62	356.13	4.49	-52.13
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300033266838	1	45	-1.0	-56.62	356.13	4.49	-52.13
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C(C)C)=C1O	REAL300033266876	0	47	-1.0	-59.74	365.54	4.54	-55.20
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C(C)C)=C1[O-]	REAL300033266876	1	47	-1.0	-59.74	365.54	4.54	-55.20
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=CC(O)=C1	REAL300033266928	0	44	-1.0	-54.03	345.93	1.49	-52.54
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=CC([O-])=C1	REAL300033266928	1	44	-1.0	-54.03	345.93	1.49	-52.54
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1=NC([O-])=CS1	REAL300033266997	0	44	-1.0	-70.67	362.79	0.16	-70.51
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300033267007	0	45	-1.0	-60.63	355.49	4.60	-56.03
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C(C)C)=N[N-]1	REAL300033267076	0	46	-1.0	-49.89	364.02	4.17	-45.72
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300033267086	0	45	-1.0	-59.02	356.69	4.22	-54.80
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300033267119	0	44	-1.0	-54.35	350.88	0.66	-53.69
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300033267217	1	45	-1.0	-61.63	357.53	3.44	-58.19
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300033267255	0	43	-1.0	-42.16	349.50	-1.04	-43.20
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300033267255	1	43	-1.0	-42.16	349.50	-1.04	-43.20
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(N)NC1=O	REAL300033267283	0	45	-1.0	-46.10	354.23	0.45	-45.65
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300033267283	1	45	-1.0	-46.10	354.23	0.45	-45.65
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300033267353	0	41	-1.0	-51.52	329.21	0.57	-50.95
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)C(C)S1	REAL300033267365	0	44	-1.0	-49.53	361.48	1.55	-47.98
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C(C)C)S1	REAL300033267365	1	44	-1.0	-49.53	361.48	1.55	-47.98
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300033267446	0	45	-1.0	-45.74	361.72	-0.95	-46.69
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C(C)C)=CC1=O	REAL300033267482	0	48	-1.0	-51.09	379.12	3.34	-47.75
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300033267494	0	45	-1.0	-50.21	356.25	2.19	-48.02
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1=CC(=O)NN1	REAL300033267556	0	45	-1.0	-59.30	358.31	1.01	-58.29
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1=CC(=O)N[N-]1	REAL300033267556	1	45	-1.0	-59.30	358.31	1.01	-58.29
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(O)C(F)=C1	REAL300033267560	0	45	-1.0	-54.27	357.49	3.48	-50.79
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300033267560	1	45	-1.0	-54.27	357.49	3.48	-50.79
CC1=CN=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C(C)C)C(O)=C1	REAL300033267606	0	47	-1.0	-61.07	370.42	4.34	-56.73
CC1=CN=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C(C)C)C([O-])=C1	REAL300033267606	1	47	-1.0	-61.07	370.42	4.34	-56.73
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CS1	REAL300033267617	0	42	-1.0	-57.07	345.28	2.46	-54.61
CC(C)[C@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300033267626	0	45	-1.0	-65.80	356.47	3.93	-61.87
CC(C)[C@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033267714	0	45	-1.0	-48.63	357.53	2.27	-46.36
CC(C)[C@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=NSNC1=O	REAL300033267799	0	43	-1.0	-45.38	348.31	-2.05	-47.43
CC(C)[C@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033267799	1	43	-1.0	-41.03	347.73	-1.34	-42.37
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NSNC1=O	REAL300033267900	0	41	-1.0	-49.41	329.78	0.54	-48.87
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300033268649	0	43	-1.0	-73.56	359.72	-1.05	-74.61
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)CN1C(=O)[N-]NC1=O	REAL300033268698	0	45	-1.0	-72.06	376.53	0.43	-71.63
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300033269044	0	45	-1.0	-80.11	369.55	4.50	-75.61
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300033269119	0	45	-1.0	-63.73	379.92	-0.08	-63.81
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=COC(=O)[N-]1	REAL300033269130	1	41	-1.0	-62.21	343.76	1.19	-61.02
CCN1[N-]C(C(=O)N(C)CC2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033269235	0	48	-1.0	-68.79	393.66	3.82	-64.97
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)CC1=CC(=O)N[N-]1	REAL300033269242	1	45	-1.0	-69.76	372.15	1.54	-68.22
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300033269261	0	44	-1.0	-76.48	365.48	1.28	-75.20
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=C[N-]N=CC1=O	REAL300033269313	0	43	-1.0	-55.03	353.86	2.57	-52.46
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(=O)N[N-]1	REAL300033269371	0	42	-1.0	-68.66	348.02	1.10	-67.56
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300033269376	0	47	-1.0	-61.60	383.91	2.90	-58.70
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=CN([O-])C1=O	REAL300033269396	0	45	-1.0	-80.94	377.74	4.71	-76.23
CC1SC(C(=O)N(C)CC2CCCN(C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300033269415	0	44	-1.0	-70.28	374.81	1.92	-68.36
CC1=C([O-])N=C(C(=O)N(C)CC2CCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300033269415	1	44	-1.0	-70.28	374.81	1.92	-68.36
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300033269430	0	45	-1.0	-81.69	378.46	4.75	-76.94
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300033269452	0	45	-1.0	-70.82	374.12	4.81	-66.01
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)CC1=NC([O-])=CS1	REAL300033269554	0	44	-1.0	-80.45	377.65	0.65	-79.80
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CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NNC(=O)[N-]1	REAL300033269703	0	41	-1.0	-73.12	342.71	-0.39	-73.51
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CN(CC1CCCN(C(=O)C2=CN=CC(O)=C2)C1)C(=O)C1=NSNC1=O	REAL300033271522	0	44	-1.0	-62.92	363.29	2.27	-60.65
CN(CC1CCCN(C(=O)C2=CN=CC([O-])=C2)C1)C(=O)C1=NSNC1=O	REAL300033271522	1	44	-1.0	-62.92	363.29	2.27	-60.65
CN(CC1CCCN(C(=O)CC2=NC([O-])=CS2)C1)C(=O)C1=NSNC1=O	REAL300033271601	0	44	-1.0	-75.84	376.78	0.85	-74.99
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CN(CC1CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C(=O)C1=NSNC1=O	REAL300033271712	0	45	-1.0	-90.70	372.27	5.40	-85.30
CN(CC1CCCN(C(=O)C2=NN(C)C(=O)[N-]2)C1)C(=O)C1=NSNC1=O	REAL300033271754	0	44	-1.0	-62.42	366.21	1.39	-61.03
CN(CC1CCCN(C(=O)C2=CC=C(F)C(O)=C2)C1)C(=O)C1=NSNC1=O	REAL300033271869	0	45	-1.0	-58.10	374.31	4.18	-53.92
CN(CC1CCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C(=O)C1=NSNC1=O	REAL300033271869	1	45	-1.0	-58.10	374.31	4.18	-53.92
CN(CC1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C(=O)C1=NSNC1=O	REAL300033271916	0	43	-1.0	-56.03	362.57	-1.22	-57.25
CN(CC1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C(=O)C1=NSNC1=O	REAL300033271916	1	43	-1.0	-52.90	362.63	-0.55	-53.45
CN(CC1CCCN(C(=O)C2=CN=C(N)[N-]C2=O)C1)C(=O)C1=NSNC1=O	REAL300033271951	1	45	-1.0	-60.86	376.37	1.43	-59.43
CN(CC1CCCN(C(=O)C2=CC=NC=C2[O-])C1)C(=O)C1=NSNC1=O	REAL300033272027	0	44	-1.0	-70.56	364.41	2.89	-67.67
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NSNC1=O	REAL300033272032	0	41	-1.0	-60.98	342.97	1.10	-59.88
CC1=C([O-])N=C(C(=O)N2CCCC(CN(C)C(=O)C3=NSNC3=O)C2)S1	REAL300033272047	1	44	-1.0	-59.41	375.78	2.01	-57.40
CN(CC1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C(=O)C1=NSNC1=O	REAL300033272139	0	45	-1.0	-55.35	374.19	-0.27	-55.62
CCN1[N-]C(C(=O)N2CCCC(CN(C)C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033272177	0	48	-1.0	-58.74	393.35	3.86	-54.88
CN(CC1CCCN(C(=O)C2=CC(=O)N(C)[N-]2)C1)C(=O)C1=NSNC1=O	REAL300033272193	0	45	-1.0	-60.67	370.95	2.82	-57.85
CN(CC1CCCN(C(=O)CC2=CC(=O)N[N-]2)C1)C(=O)C1=NSNC1=O	REAL300033272271	1	45	-1.0	-67.84	370.94	1.56	-66.28
CN(CC1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C(=O)C1=NSNC1=O	REAL300033272275	1	45	-1.0	-59.78	374.27	4.22	-55.56
CC1=CN=C(C(=O)N2CCCC(CN(C)C(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300033272331	1	47	-1.0	-71.24	384.44	5.21	-66.03
CN(CC1CCCN(C(=O)C2=CC([O-])=CS2)C1)C(=O)C1=NSNC1=O	REAL300033272343	0	42	-1.0	-69.03	357.32	3.02	-66.01
CN(CC1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C(=O)C1=NSNC1=O	REAL300033272354	0	45	-1.0	-71.15	379.25	4.88	-66.27
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300033272445	0	45	-1.0	-71.76	370.84	2.81	-68.95
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300033272530	0	43	-1.0	-60.11	362.44	-0.41	-60.52
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300033272530	1	43	-1.0	-60.11	362.44	-0.41	-60.52
CN(CC1CCCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300033272631	0	41	-1.0	-66.84	343.58	1.22	-65.62
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O=C(CCCN1C(=O)[N-]NC1=O)NC[C@@H]1CCCN1C(=O)C1=NSNC1=O	REAL300033273766	0	45	-1.0	-64.72	389.83	-0.89	-65.61
O=C(CCC1=NNC(=O)[N-]C1=O)NC[C@@H]1CCCN1C(=O)C1=NSNC1=O	REAL300033273982	0	43	-1.0	-64.07	376.27	-3.62	-67.69
CC(=O)[N-]C1=NC(C(=O)NC[C@@H]2CCCN2C(=O)C2=NSNC2=O)=CS1	REAL300033273983	1	41	-1.0	-53.70	371.72	-0.14	-53.84
O=C(CCN1C=C[N-]C(=O)C1=O)NC[C@@H]1CCCN1C(=O)C1=NSNC1=O	REAL300033274141	1	44	-1.0	-70.83	382.01	0.52	-70.31
COC1=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=NSNC2=O)NC(=O)[N-]C1=O	REAL300033274250	1	42	-1.0	-61.54	365.64	-2.40	-63.94
O=C(NC[C@@H]1CCCN1C(=O)C1=NSNC1=O)C1=NNC(=O)[N-]C1=O	REAL300033274364	0	37	-1.0	-62.84	333.18	-3.76	-66.60
O=C(CN1C(=O)[N-]NC1=O)NC[C@@H]1CCCN1C(=O)C1=NSNC1=O	REAL300033274481	0	39	-1.0	-66.49	347.29	-2.10	-68.59
O=C(NC[C@@H]1CCCN1C(=O)C1=NSNC1=O)C1=CC=C2N=NN([O-])C2=C1	REAL300033275962	0	41	-1.0	-73.99	359.69	0.93	-73.06
CC1=C(CC(=O)NC[C@@H]2CCCN2C(=O)C2=NSNC2=O)C(=O)N(C)[N-]1	REAL300033275974	0	45	-1.0	-67.92	385.16	1.34	-66.58
O=C(NC[C@@H]1CCCN1C(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300033276060	0	36	-1.0	-57.98	320.54	-1.65	-59.63
C[PH](C)([O-])C(=O)C(=O)NC[C@@H]1CCCN1C(=O)C1=NSNC1=O	REAL300033276065	0	41	-1.0	-56.88	353.50	-0.33	-57.21
CN1[N-]C(CC(=O)NC[C@@H]2CCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300033276068	0	42	-1.0	-71.15	365.04	0.67	-70.48
O=C(CCC1=NC(=O)[N-]N1)NC[C@@H]1CCCN1C(=O)C1=NSNC1=O	REAL300033276106	1	41	-1.0	-67.45	356.47	-1.99	-69.44
O=C(NC[C@@H]1CCCN1C(=O)C1=NSNC1=O)C1=CC=CN([O-])C1=O	REAL300033276114	0	39	-1.0	-67.33	340.54	2.58	-64.75
CSC1=NC=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033276134	1	41	-1.0	-57.58	367.78	0.34	-57.24
CC1=C([O-])N=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=NSNC2=O)S1	REAL300033276159	1	38	-1.0	-61.82	347.08	-1.53	-63.35
O=C(NC[C@@H]1CCCN1C(=O)C1=NSNC1=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300033276180	1	38	-1.0	-54.47	351.77	1.60	-52.87
O=C(NC[C@@H]1CCCN1C(=O)C1=NSNC1=O)C1=CC(=O)N([O-])C=C1	REAL300033276202	0	39	-1.0	-75.42	344.63	2.37	-73.05
O=C(NC[C@@H]1CCCN1C(=O)C1=NSNC1=O)C1=CC=CC(=O)N1[O-]	REAL300033276262	0	39	-1.0	-92.49	341.70	3.40	-89.09
O=C(C[N-]C(=O)C(F)(F)F)NC[C@@H]1CCCN1C(=O)C1=NSNC1=O	REAL300033276432	0	38	-1.0	-57.98	351.74	-1.81	-59.79
NC1=NC([O-])=C(CC(=O)NC[C@@H]2CCCN2C(=O)C2=NSNC2=O)S1	REAL300033276433	0	40	-1.0	-82.97	361.71	-2.64	-85.61
O=C(CC1=NC([O-])=CS1)NC[C@@H]1CCCN1C(=O)C1=NSNC1=O	REAL300033276493	0	38	-1.0	-81.01	348.13	-1.78	-82.79
CCC1=NC=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033276518	1	43	-1.0	-57.54	365.40	0.86	-56.68
O=C(CN1N=CC(=O)[N-]C1=O)NC[C@@H]1CCCN1C(=O)C1=NSNC1=O	REAL300033276530	0	40	-1.0	-71.98	357.62	-3.23	-75.21
O=C(NC[C@@H]1CCCN1C(=O)C1=NSNC1=O)C1=C(Cl)C(=O)[N-]S1	REAL300033276607	0	35	-1.0	-58.39	338.06	-0.35	-58.74
COCC1=NC=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=NSNC2=O)C(=O)N1	REAL300033276714	0	44	-1.0	-58.15	379.46	-0.94	-59.09
COCC1=NC=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033276714	1	44	-1.0	-58.15	379.46	-0.94	-59.09
CC1=CC(=O)C(C(=O)NC[C@@H]2CCCN2C(=O)C2=NSNC2=O)=N[N-]1	REAL300033276815	0	40	-1.0	-62.59	350.34	2.12	-60.47
O=C(NC[C@@H]1CCCN1C(=O)C1=NSNC1=O)C1=NNC(=O)[N-]1	REAL300033276834	0	35	-1.0	-61.28	315.03	-3.12	-64.40
O=C(NC[C@@H]1CCCN1C(=O)C1=NSNC1=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300033276859	0	40	-1.0	-56.91	357.73	1.37	-55.54
O=C(NC[C@@H]1CCCN1C(=O)C1=NSNC1=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300033276859	1	40	-1.0	-56.91	357.73	1.37	-55.54
O=C(NC[C@@H]1CCCN1C(=O)C1=NSNC1=O)C1=CN=C(C=N[O-])S1	REAL300033276997	0	38	-1.0	-69.77	356.99	-0.10	-69.87
COC1=NC(C(=O)NC[C@@H]2CCCN2C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300033277017	0	41	-1.0	-62.82	361.27	-3.66	-66.48
O=C(NC[C@@H]1CCCN1C(=O)C1=NC=CC=C1[O-])C1=NSNC1=O	REAL300033277276	1	38	-1.0	-74.07	333.50	1.97	-72.10
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC[C@H]1CNC(=O)C1=NSNC1=O	REAL300033277389	1	44	-1.0	-66.59	385.36	0.33	-66.26
CC(=O)[N-]C1=NC(C(=O)N2CCC[C@H]2CNC(=O)C2=NSNC2=O)=CS1	REAL300033277399	1	41	-1.0	-54.51	370.59	0.17	-54.34
O=C(NC[C@@H]1CCCN1C(=O)C1=NNC(=O)[N-]C1=O)C1=NSNC1=O	REAL300033277424	0	37	-1.0	-65.39	331.96	-3.79	-69.18
COC1=C(C(=O)N2CCC[C@H]2CNC(=O)C2=NSNC2=O)NC(=O)[N-]C1=O	REAL300033277471	1	42	-1.0	-56.96	361.08	-1.95	-58.91
O=C(CN1C(=O)[N-]NC1=O)N1CCC[C@H]1CNC(=O)C1=NSNC1=O	REAL300033277615	0	39	-1.0	-67.71	349.64	-2.31	-70.02
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC[C@H]1CNC(=O)C1=NSNC1=O	REAL300033278445	0	45	-1.0	-66.60	392.45	-1.13	-67.73
O=C(NC[C@@H]1CCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=NSNC1=O	REAL300033278627	1	44	-1.0	-58.10	376.56	1.62	-56.48
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)N[N-]1)C1=NSNC1=O	REAL300033279980	0	36	-1.0	-60.56	320.27	-1.67	-62.23
C[PH](C)([O-])C(=O)C(=O)N1CCC[C@H]1CNC(=O)C1=NSNC1=O	REAL300033279987	0	41	-1.0	-60.01	360.44	-0.57	-60.58
CN1[N-]C(CC(=O)N2CCC[C@H]2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300033279991	0	42	-1.0	-72.99	367.65	0.44	-72.55
NC1=CC(C(=O)N2CCC[C@H]2CNC(=O)C2=NSNC2=O)=C(F)C([O-])=C1F	REAL300033280038	0	41	-1.0	-65.50	356.86	0.11	-65.39
COCC1=NC=C(C(=O)N2CCC[C@H]2CNC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033280043	1	44	-1.0	-57.03	378.65	-0.80	-57.83
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(F)=CC(F)=C1[O-])C1=NSNC1=O	REAL300033280069	0	39	-1.0	-55.62	342.72	3.57	-52.05
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)N([O-])C=C1)C1=NSNC1=O	REAL300033280093	0	39	-1.0	-68.23	337.86	2.64	-65.59
O=C(NC[C@@H]1CCCN1C(=O)C1=NC(=O)N[N-]1)C1=NSNC1=O	REAL300033280127	0	35	-1.0	-58.93	315.05	-2.39	-61.32
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=CN([O-])C1=O)C1=NSNC1=O	REAL300033280137	0	39	-1.0	-72.32	341.02	2.66	-69.66
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O=C(CC1=NC([O-])=CS1)N1CCC[C@H]1CNC(=O)C1=NSNC1=O	REAL300033280777	0	38	-1.0	-81.63	350.48	-1.95	-83.58
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O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C(F)C=C1[O-])C1=NSNC1=O	REAL300033280799	0	39	-1.0	-57.81	336.51	3.51	-54.30
O=C(CC1SC(=O)[N-]C1=O)N1CCC[C@H]1CNC(=O)C1=NSNC1=O	REAL300033280910	0	39	-1.0	-58.02	358.50	-2.75	-60.77
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C([O-])C(F)=C1F)C1=NSNC1=O	REAL300033280937	0	39	-1.0	-56.71	342.97	2.24	-54.47
O=C(NC[C@@H]1CCCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C1=NSNC1=O	REAL300033280940	1	40	-1.0	-47.05	356.13	0.76	-46.29
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O=C(CN1[N-]C(=O)C=CC1=O)NC[C@@H]1CCCN1C(=O)C1=NSNC1=O	REAL300033283003	0	41	-1.0	-66.68	362.32	-1.08	-67.76
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O=C(NC[C@@H]1CCCN1C(=O)C1=NSNC1=O)C1=CN([O-])C(=O)NC1=O	REAL300033283036	0	39	-1.0	-61.63	337.06	1.68	-59.95
O=C(NC[C@@H]1CCCN1C(=O)C1=NSNC1=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300033283071	1	40	-1.0	-55.45	347.80	2.34	-53.11
COCC1(NC(=O)C2=COC(=O)[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300033283704	1	42	-1.0	-53.54	354.09	-2.63	-56.17
COCC1(NC(=O)CC2=CC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300033283768	1	46	-1.0	-56.13	379.97	-0.96	-57.09
COCC1(NC(=O)C2=NN(C)C(=O)[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300033283773	0	45	-1.0	-60.29	376.54	-1.41	-61.70
COCC1(NC(=O)C2=C[N-]N=CC2=O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300033283795	0	44	-1.0	-45.18	363.44	0.55	-44.63
COCC1(NC(=O)C2=CC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300033283826	0	43	-1.0	-53.65	359.22	-1.61	-55.26
COCC1(NC(=O)C2=NC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300033283954	0	42	-1.0	-52.63	353.82	-2.91	-55.54
COCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300033284228	1	45	-1.0	-63.59	371.51	1.98	-61.61
COCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300033284667	1	42	-1.0	-46.50	354.30	-1.59	-48.09
COCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300033284729	0	44	-1.0	-45.83	364.45	-0.33	-46.16
COCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300033284783	0	43	-1.0	-48.88	359.13	-1.66	-50.54
COCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300033284812	0	42	-1.0	-51.20	353.51	-2.32	-53.52
COCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300033284907	1	45	-1.0	-56.59	371.62	-0.69	-57.28
COCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1	REAL300033285001	0	45	-1.0	-55.72	376.61	-1.46	-57.18
COCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=NC=C2[O-])CC1	REAL300033285109	0	45	-1.0	-59.88	374.45	-0.31	-60.19
COCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300033285111	0	42	-1.0	-52.96	354.04	-1.62	-54.58
COCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1	REAL300033285186	0	46	-1.0	-51.61	381.99	0.06	-51.55
COCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)CC2=CC(=O)N[N-]2)CC1	REAL300033285225	1	46	-1.0	-61.52	383.08	-1.28	-62.80
COCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC([O-])=CS2)CC1	REAL300033285263	0	43	-1.0	-61.97	367.89	0.11	-61.86
COCC1(NC(=O)C2=CC(=O)N(C)[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300033285310	0	46	-1.0	-56.31	381.96	0.10	-56.21
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300033285390	0	42	-1.0	-58.69	353.67	-1.16	-59.85
C[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033285863	1	44	-1.0	-57.58	372.81	2.41	-55.17
C[C@@H]1CN(C(=O)CCCN2C(=O)[N-]NC2=O)CCN1C(=O)C1=NSNC1=O	REAL300033286502	0	45	-1.0	-58.18	379.45	0.54	-57.64
C[C@@H]1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033286718	0	43	-1.0	-56.37	366.73	-2.22	-58.59
CC(=O)[N-]C1=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@H](C)C2)=CS1	REAL300033286719	1	41	-1.0	-41.16	353.88	1.35	-39.81
C[C@@H]1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033286877	1	44	-1.0	-60.17	372.52	1.91	-58.26
COC1=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@H](C)C2)NC(=O)[N-]C1=O	REAL300033286986	1	42	-1.0	-50.89	361.81	-2.57	-53.46
C[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033287100	0	37	-1.0	-53.92	321.06	-2.44	-56.36
C[C@@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)C1=NSNC1=O	REAL300033287217	0	39	-1.0	-57.26	336.97	-0.72	-57.98
C[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)C1=NSNC1=O	REAL300033288998	0	39	-1.0	-78.55	328.46	3.60	-74.95
C[C@@H]1CN(C(=O)C[N-]C(=O)C(F)(F)F)CCN1C(=O)C1=NSNC1=O	REAL300033289168	0	38	-1.0	-48.66	341.41	-0.43	-49.09
C[C@@H]1CN(C(=O)CC2=C([O-])N=C(N)S2)CCN1C(=O)C1=NSNC1=O	REAL300033289169	0	40	-1.0	-69.41	352.57	-1.24	-70.65
C[C@@H]1CN(C(=O)CC2=NC([O-])=CS2)CCN1C(=O)C1=NSNC1=O	REAL300033289229	0	38	-1.0	-70.64	333.68	-0.79	-71.43
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@H](C)C2)C(=O)[N-]1	REAL300033289254	1	43	-1.0	-56.01	361.98	1.76	-54.25
C[C@@H]1CN(C(=O)CN2N=CC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033289266	0	40	-1.0	-62.44	347.21	-1.84	-64.28
C[C@@H]1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)CCN1C(=O)C1=NSNC1=O	REAL300033289343	0	35	-1.0	-49.28	328.06	0.72	-48.56
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@H](C)C2)C(=O)N1	REAL300033289450	0	44	-1.0	-56.06	374.91	0.00	-56.06
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@H](C)C2)C(=O)[N-]1	REAL300033289450	1	44	-1.0	-56.06	374.91	0.00	-56.06
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=NSNC3=O)[C@H](C)C2)=N[N-]1	REAL300033289551	0	40	-1.0	-51.61	336.36	3.61	-48.00
C[C@@H]1CN(C(=O)C2=NNC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033289570	0	35	-1.0	-52.39	298.66	-1.93	-54.32
C[C@@H]1CN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)CCN1C(=O)C1=NSNC1=O	REAL300033289595	0	40	-1.0	-49.04	352.04	2.51	-46.53
C[C@@H]1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CCN1C(=O)C1=NSNC1=O	REAL300033289595	1	40	-1.0	-49.04	352.04	2.51	-46.53
C[C@@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)CCN1C(=O)C1=NSNC1=O	REAL300033289733	0	38	-1.0	-62.45	338.92	0.46	-61.99
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300033290012	1	38	-1.0	-63.44	320.13	3.59	-59.85
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300033290125	1	44	-1.0	-59.94	368.49	1.63	-58.31
CC(=O)[N-]C1=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@H]2C)=CS1	REAL300033290135	1	41	-1.0	-42.88	358.46	1.71	-41.17
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300033290160	0	37	-1.0	-54.29	315.94	-2.69	-56.98
COC1=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@H]2C)NC(=O)[N-]C1=O	REAL300033290207	1	42	-1.0	-51.65	359.80	-2.76	-54.41
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300033290351	0	39	-1.0	-57.16	332.53	-1.04	-58.20
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CCCN1C(=O)[N-]NC1=O	REAL300033291181	0	45	-1.0	-57.92	375.25	0.23	-57.69
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300033291363	1	44	-1.0	-51.47	365.49	2.06	-49.41
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(N)=CC(=O)[N-]1	REAL300033292996	0	39	-1.0	-57.54	328.23	-0.78	-58.32
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300033293053	0	39	-1.0	-48.74	340.98	3.21	-45.53
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300033293059	1	39	-1.0	-56.02	330.20	3.25	-52.77
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@H]2C)=C1[O-]	REAL300033293141	1	41	-1.0	-61.51	344.74	3.07	-58.44
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=CC([O-])=C1	REAL300033293290	1	38	-1.0	-53.33	319.32	0.72	-52.61
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300033293302	0	39	-1.0	-63.11	337.41	4.10	-59.01
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300033293441	1	41	-1.0	-59.06	356.09	1.34	-57.72
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300033293445	0	38	-1.0	-44.22	340.33	2.17	-42.05
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300033293502	1	39	-1.0	-51.28	338.88	3.34	-47.94
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300033293504	0	42	-1.0	-57.51	357.27	2.44	-55.07
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1=NC([O-])=CS1	REAL300033293513	0	38	-1.0	-72.52	337.75	-0.33	-72.85
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300033293533	0	41	-1.0	-57.78	352.99	0.27	-57.51
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300033293535	0	39	-1.0	-62.70	330.35	4.26	-58.44
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300033293646	0	39	-1.0	-49.53	345.54	-1.10	-50.63
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300033293673	0	39	-1.0	-55.71	336.28	2.95	-52.76
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300033293676	1	40	-1.0	-40.72	342.92	1.23	-39.49
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300033293681	0	39	-1.0	-59.09	340.96	3.47	-55.62
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@H]2C)=N[N-]1	REAL300033293713	0	40	-1.0	-51.17	333.06	3.18	-47.99
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300033293718	0	44	-1.0	-65.67	364.56	2.86	-62.81
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300033293745	0	39	-1.0	-60.28	326.29	3.47	-56.81
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300033293777	0	39	-1.0	-46.49	340.33	0.93	-45.56
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300033293778	0	41	-1.0	-55.20	358.18	-4.10	-59.30
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300033293778	1	41	-1.0	-49.66	358.07	-4.02	-53.68
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300033293806	0	41	-1.0	-45.76	353.10	4.38	-41.38
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300033293845	0	38	-1.0	-55.30	324.92	0.14	-55.16
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300033293875	0	41	-1.0	-49.77	355.22	0.71	-49.06
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300033293914	0	40	-1.0	-53.17	344.67	3.61	-49.56
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300033294024	0	39	-1.0	-50.61	334.58	0.79	-49.82
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300033294079	1	39	-1.0	-52.05	331.23	2.70	-49.35
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300033294087	1	44	-1.0	-74.64	364.36	4.62	-70.02
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300033294090	0	41	-1.0	-56.06	352.17	4.39	-51.67
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300033294093	0	41	-1.0	-50.97	351.70	4.85	-46.12
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300033294103	1	39	-1.0	-62.37	340.67	4.71	-57.66
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300033294117	0	41	-1.0	-44.19	355.57	3.51	-40.68
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300033294182	0	37	-1.0	-43.30	319.13	-2.31	-45.61
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300033294182	1	37	-1.0	-43.30	319.13	-2.31	-45.61
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300033294208	0	41	-1.0	-62.46	346.63	1.65	-60.81
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C(O)C2=CC=CC=C2C=N1	REAL300033294244	0	44	-1.0	-66.05	361.06	5.43	-60.62
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300033294244	1	44	-1.0	-66.05	361.06	5.43	-60.62
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300033294245	0	35	-1.0	-48.78	329.62	0.53	-48.25
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(N)NC1=O	REAL300033294262	0	39	-1.0	-50.64	327.91	-0.24	-50.88
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300033294262	1	39	-1.0	-50.64	327.91	-0.24	-50.88
CC1=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@H]2C)[N-]C(=O)C(C#N)=C1	REAL300033294290	0	42	-1.0	-42.49	354.46	2.96	-39.53
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300033294361	0	40	-1.0	-47.58	344.71	2.13	-45.45
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300033294361	1	40	-1.0	-47.58	344.71	2.13	-45.45
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300033294369	0	41	-1.0	-45.04	340.58	1.28	-43.76
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300033294377	0	38	-1.0	-59.86	336.32	4.10	-55.76
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1=CC=C(O)C(Cl)=C1	REAL300033294383	0	42	-1.0	-64.54	364.74	4.17	-60.37
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300033294383	1	42	-1.0	-64.54	364.74	4.17	-60.37
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300033294433	0	35	-1.0	-51.80	298.63	-0.39	-52.19
CC1SC(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@H]2C)=NC1=O	REAL300033294463	0	38	-1.0	-49.19	334.43	0.74	-48.45
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@H]2C)S1	REAL300033294463	1	38	-1.0	-49.19	334.43	0.74	-48.45
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C(O)C2=CC=CC=C2C=C1	REAL300033294526	0	45	-1.0	-65.35	365.50	6.07	-59.28
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300033294526	1	45	-1.0	-65.35	365.50	6.07	-59.28
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC2=CC=CC=C2C=C1O	REAL300033294534	0	45	-1.0	-68.80	366.70	6.03	-62.77
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300033294534	1	45	-1.0	-68.80	366.70	6.03	-62.77
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C(=O)C1=CC=C(O)C=C1	REAL300033294575	0	41	-1.0	-51.22	350.59	2.64	-48.58
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300033294575	1	41	-1.0	-51.22	350.59	2.64	-48.58
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300033294604	0	38	-1.0	-61.42	346.20	0.95	-60.47
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)C=C(Cl)N1	REAL300033294633	0	38	-1.0	-45.05	338.18	3.44	-41.61
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300033294633	1	38	-1.0	-45.05	338.18	3.44	-41.61
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@H]2C)C(=O)N1	REAL300033294657	0	41	-1.0	-50.61	355.82	0.94	-49.67
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@H]2C)C(=O)[N-]1	REAL300033294657	1	41	-1.0	-50.61	355.82	0.94	-49.67
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300033294664	0	39	-1.0	-46.26	327.61	-1.81	-48.07
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C[C@H]2C)=CC1=O	REAL300033294738	0	42	-1.0	-51.57	348.56	2.31	-49.26
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300033294755	0	39	-1.0	-51.17	330.19	1.65	-49.52
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300033294770	0	39	-1.0	-54.72	348.23	-0.36	-55.08
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1=CC(=O)NN1	REAL300033294910	0	39	-1.0	-60.84	331.90	0.38	-60.46
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1=CC(=O)N[N-]1	REAL300033294910	1	39	-1.0	-60.84	331.90	0.38	-60.46
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(O)C(F)=C1	REAL300033294916	0	39	-1.0	-52.27	331.19	2.73	-49.54
C[C@@H]1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300033294916	1	39	-1.0	-52.27	331.19	2.73	-49.54
O=C(C1=COC(=O)[N-]1)N1C2CCCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300033296563	1	42	-1.0	-47.41	332.27	2.12	-45.29
O=C(CC1=CC(=O)N[N-]1)N1C2CCCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300033296641	1	46	-1.0	-59.56	359.18	2.45	-57.11
CN1N=C(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)CC3)[N-]C1=O	REAL300033296650	0	45	-1.0	-57.83	357.68	2.32	-55.51
O=C(C1=NSNC1=O)N1CCC2CCCC(C1)N2C(=O)C1=C[N-]N=CC1=O	REAL300033296682	0	44	-1.0	-44.38	338.91	3.51	-40.87
O=C(C1=CC(=O)N[N-]1)N1C2CCCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300033296716	0	43	-1.0	-51.41	336.73	2.01	-49.40
O=C(C1=NC(=O)N[N-]1)N1C2CCCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300033296887	0	42	-1.0	-47.04	334.84	1.47	-45.57
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=NC=CC=C1[O-])CC2	REAL300033297181	1	45	-1.0	-58.71	353.22	5.96	-52.75
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=COC(=O)[N-]1)CC2	REAL300033297656	1	42	-1.0	-49.36	336.24	2.38	-46.98
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=C[N-]N=CC1=O)CC2	REAL300033297727	0	44	-1.0	-50.59	351.53	3.11	-47.48
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC(=O)N[N-]1)CC2	REAL300033297786	0	43	-1.0	-48.81	341.13	2.17	-46.64
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=NC(=O)N[N-]1)CC2	REAL300033297820	0	42	-1.0	-48.00	335.98	-0.02	-48.02
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CN=CC([O-])=C1)CC2	REAL300033297928	1	45	-1.0	-50.46	347.30	2.63	-47.83
CN1N=C(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=NSNC2=O)[N-]C1=O	REAL300033298036	0	45	-1.0	-54.91	358.58	2.34	-52.57
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC=NC=C1[O-])CC2	REAL300033298166	0	45	-1.0	-64.05	351.98	3.18	-60.87
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300033298169	0	42	-1.0	-53.28	336.16	2.22	-51.06
CN1[N-]C(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=NSNC2=O)=CC1=O	REAL300033298256	0	46	-1.0	-51.12	363.00	3.75	-47.37
O=C(CC1=CC(=O)N[N-]1)N1CCC2CCCC(C1)N2C(=O)C1=NSNC1=O	REAL300033298302	1	46	-1.0	-63.32	365.02	0.86	-62.46
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC([O-])=CS1)CC2	REAL300033298346	0	43	-1.0	-64.60	347.64	2.11	-62.49
CN1[N-]C(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)CC3)=CC1=O	REAL300033298405	0	46	-1.0	-54.23	359.46	3.71	-50.52
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=NSNC1=O)CC2	REAL300033298514	0	42	-1.0	-54.83	332.06	2.10	-52.73
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=NNC(=O)[N-]C1=O	REAL300033299304	0	41	-1.0	-54.58	334.26	-0.99	-55.57
O=C(CN1C(=O)[N-]NC1=O)N1C2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300033299355	0	43	-1.0	-57.45	350.77	0.69	-56.76
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=CN([O-])C(=O)C=C1	REAL300033299735	0	43	-1.0	-58.95	353.39	4.78	-54.17
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)NC([O-])=C1	REAL300033299814	0	43	-1.0	-50.53	343.24	-0.34	-50.87
O=C(C1=COC(=O)[N-]1)N1C2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300033299825	1	39	-1.0	-51.31	317.00	1.46	-49.85
CCN1[N-]C(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033299942	0	46	-1.0	-54.26	366.07	3.91	-50.35
O=C(CC1=CC(=O)N[N-]1)N1C2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300033299949	1	43	-1.0	-60.86	345.91	1.75	-59.11
CN1N=C(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300033299972	0	42	-1.0	-57.21	339.00	1.44	-55.77
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=C[N-]N=CC1=O	REAL300033300029	0	41	-1.0	-47.35	335.80	2.76	-44.59
O=C(C1=CC(=O)N[N-]1)N1C2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300033300094	0	40	-1.0	-51.07	321.41	1.29	-49.78
C[PH](C)([O-])C(=O)C(=O)N1C2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300033300099	0	45	-1.0	-50.57	355.28	2.34	-48.23
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=CC=CN([O-])C1=O	REAL300033300123	0	43	-1.0	-72.87	352.60	4.76	-68.11
CC1SC(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)=NC1=O	REAL300033300144	0	42	-1.0	-58.01	349.08	2.05	-55.96
CC1=C([O-])N=C(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)S1	REAL300033300144	1	42	-1.0	-58.01	349.08	2.05	-55.96
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)N([O-])C=C1	REAL300033300160	0	43	-1.0	-65.69	353.54	4.79	-60.90
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=CC=CC(=O)N1[O-]	REAL300033300185	0	43	-1.0	-64.83	341.06	4.91	-59.92
O=C(CC1=NC([O-])=CS1)N1C2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300033300299	0	42	-1.0	-67.58	351.62	1.03	-66.55
CC1=CC(=O)C(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300033300453	0	44	-1.0	-53.32	349.95	4.98	-48.34
O=C(C1=NC(=O)N[N-]1)N1C2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300033300463	0	39	-1.0	-51.44	316.31	0.67	-50.77
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=NC=CC=C1O)C2	REAL300033300805	0	42	-1.0	-59.72	333.32	4.99	-54.73
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=NC=CC=C1[O-])C2	REAL300033300805	1	42	-1.0	-59.72	333.32	4.99	-54.73
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300033300903	0	41	-1.0	-54.18	338.32	-2.40	-56.58
O=C(CN1C(=O)[N-]NC1=O)N1CC2CCCC(C1)N2C(=O)C1=NSNC1=O	REAL300033300995	0	43	-1.0	-54.61	350.28	0.66	-53.95
N#CC1=CC([O-])=CC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)=C1	REAL300033301805	1	44	-1.0	-50.97	362.68	4.65	-46.32
O=C(C1=COC(=O)[N-]1)N1CC2CCCC(C1)N2C(=O)C1=NSNC1=O	REAL300033301872	1	39	-1.0	-51.23	316.65	1.43	-49.80
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC=C([O-])C=C1F)C2	REAL300033301941	1	43	-1.0	-54.43	344.33	4.25	-50.18
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC([O-])=CC(=O)O1)C2	REAL300033301945	0	42	-1.0	-47.66	343.96	3.65	-44.01
N#CC1=CC=C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)C=C1[O-]	REAL300033301948	1	44	-1.0	-56.68	361.43	4.69	-51.99
CC1=CC=C([O-])C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)=N1	REAL300033301999	1	45	-1.0	-60.68	355.50	5.51	-55.17
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300033302010	0	41	-1.0	-45.86	329.97	2.82	-43.04
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC=CC(F)=C1[O-])C2	REAL300033302017	0	43	-1.0	-62.74	347.66	4.78	-57.96
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC=CC([O-])=C1F)C2	REAL300033302081	1	43	-1.0	-63.02	347.94	4.39	-58.63
O=C(C1=CC(=O)N[N-]1)N1CC2CCCC(C1)N2C(=O)C1=NSNC1=O	REAL300033302153	0	40	-1.0	-50.20	321.25	1.31	-48.89
C[PH](C)([O-])C(=O)C(=O)N1CC2CCCC(C1)N2C(=O)C1=NSNC1=O	REAL300033302158	0	45	-1.0	-49.14	360.75	2.29	-46.85
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300033302208	0	43	-1.0	-61.42	349.55	4.91	-56.51
O=C(C1=NNC(=O)[N-]1)N1CC2CCCC(C1)N2C(=O)C1=NSNC1=O	REAL300033302225	0	39	-1.0	-53.58	315.92	-0.13	-53.71
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300033302230	0	43	-1.0	-72.93	343.96	4.71	-68.22
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC(F)=CC=C1O)C2	REAL300033302336	0	43	-1.0	-55.95	347.53	4.81	-51.14
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC(F)=CC=C1[O-])C2	REAL300033302336	1	43	-1.0	-55.95	347.53	4.81	-51.14
CC1=CC=NC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)=C1O	REAL300033302378	0	45	-1.0	-59.79	354.19	5.63	-54.16
CC1=CC=NC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)=C1[O-]	REAL300033302378	1	45	-1.0	-59.79	354.19	5.63	-54.16
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CN=CC(O)=C1)C2	REAL300033302438	0	42	-1.0	-54.70	334.02	2.31	-52.39
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CN=CC([O-])=C1)C2	REAL300033302438	1	42	-1.0	-54.70	334.02	2.31	-52.39
O=C(CC1=NC([O-])=CS1)N1CC2CCCC(C1)N2C(=O)C1=NSNC1=O	REAL300033302531	0	42	-1.0	-72.66	351.34	1.00	-71.66
CC1=CC(=O)C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)=N[N-]1	REAL300033302637	0	44	-1.0	-52.49	351.92	4.89	-47.60
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300033302652	0	43	-1.0	-73.61	347.31	4.65	-68.96
CN1N=C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)[N-]C1=O	REAL300033302698	0	42	-1.0	-56.39	338.55	1.45	-54.94
N#CC1=CC=C([O-])C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)=C1	REAL300033302737	0	44	-1.0	-52.83	361.97	5.16	-47.67
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC=C(F)C(O)=C1)C2	REAL300033302827	0	43	-1.0	-60.61	347.47	4.30	-56.31
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC=C(F)C([O-])=C1)C2	REAL300033302827	1	43	-1.0	-60.61	347.47	4.30	-56.31
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300033302877	0	41	-1.0	-46.98	335.28	-1.09	-48.07
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300033302877	1	41	-1.0	-41.71	334.62	-0.35	-42.06
NC1=NC=C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033302913	1	43	-1.0	-56.41	342.13	1.21	-55.20
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC=NC=C1[O-])C2	REAL300033302996	0	42	-1.0	-59.46	336.48	2.75	-56.71
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=NSNC1=O	REAL300033303001	0	39	-1.0	-55.51	316.39	1.26	-54.25
CC1=C([O-])N=C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)S1	REAL300033303017	1	42	-1.0	-58.01	348.02	2.15	-55.86
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300033303116	0	43	-1.0	-49.99	349.93	-0.04	-50.03
CCN1[N-]C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)=CC1=O	REAL300033303158	0	46	-1.0	-51.13	366.48	4.00	-47.13
CN1[N-]C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)=CC1=O	REAL300033303174	0	43	-1.0	-50.53	344.11	3.01	-47.52
O=C(CC1=CC(=O)N[N-]1)N1CC2CCCC(C1)N2C(=O)C1=NSNC1=O	REAL300033303255	1	43	-1.0	-61.00	345.49	1.71	-59.29
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CC=C([O-])C(F)=C1)C2	REAL300033303259	1	43	-1.0	-53.81	347.45	4.33	-49.48
CC1=CN=C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=NSNC2=O)C([O-])=C1	REAL300033303321	1	45	-1.0	-60.91	354.73	5.64	-55.27
O=C(C1=CC([O-])=CS1)N1CC2CCCC(C1)N2C(=O)C1=NSNC1=O	REAL300033303334	0	40	-1.0	-59.58	333.09	3.30	-56.28
O=C(C1=NSNC1=O)N1C2CCCC1CN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300033303345	0	43	-1.0	-64.98	349.53	4.85	-60.13
CN1[N-]C(C(=O)N2C3CCCC2CN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033303442	0	43	-1.0	-53.58	344.26	2.97	-50.61
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300033303537	0	41	-1.0	-42.49	335.26	-0.37	-42.86
O=C(C1=NSNC1=O)N1CC2CCCC(C1)N2C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300033303537	1	41	-1.0	-42.49	335.26	-0.37	-42.86
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=NSNC1=O)C2	REAL300033303643	0	39	-1.0	-55.30	316.84	1.40	-53.90
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300033304331	0	40	-1.0	-70.32	330.46	-0.73	-71.05
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300033304683	0	42	-1.0	-80.18	340.74	4.22	-75.96
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300033304750	0	42	-1.0	-59.25	358.05	-0.14	-59.39
CC1(F)CN(C(=O)C2=COC(=O)[N-]2)CCN(C(=O)C2=NSNC2=O)C1	REAL300033304759	1	38	-1.0	-66.73	316.95	1.80	-64.93
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(C)(F)C2)=CC1=O	REAL300033304855	0	45	-1.0	-70.54	365.42	3.74	-66.80
CC1(F)CN(C(=O)CC2=CC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)C1	REAL300033304862	1	42	-1.0	-76.53	351.68	1.44	-75.09
CN1N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(C)(F)C2)[N-]C1=O	REAL300033304878	0	41	-1.0	-77.32	339.35	1.41	-75.91
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300033304920	0	40	-1.0	-65.24	340.97	2.63	-62.61
CC1(F)CN(C(=O)C2=CC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)C1	REAL300033304971	0	39	-1.0	-69.23	321.85	1.26	-67.97
CC1(F)CN(C(=O)C(=O)[PH](C)(C)[O-])CCN(C(=O)C2=NSNC2=O)C1	REAL300033304976	0	44	-1.0	-68.79	357.17	2.69	-66.10
CN1[N-]C(CC(=O)N2CCN(C(=O)C3=NSNC3=O)CC(C)(F)C2)=CC1=O	REAL300033304978	0	45	-1.0	-78.96	374.44	3.16	-75.80
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300033304995	0	42	-1.0	-93.33	357.25	4.73	-88.60
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300033305021	0	42	-1.0	-72.42	353.78	4.72	-67.70
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300033305041	0	42	-1.0	-95.53	339.39	5.39	-90.14
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(C)(F)C2)=N[N-]1	REAL300033305250	0	43	-1.0	-70.59	349.39	5.16	-65.43
CC1(F)CN(C(=O)C2=NC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)C1	REAL300033305258	0	38	-1.0	-63.60	315.66	1.26	-62.34
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300033305580	1	41	-1.0	-75.62	330.77	5.09	-70.53
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300033305668	0	40	-1.0	-70.32	330.46	-0.73	-71.05
CC1(F)CN(C(=O)C2=COC(=O)[N-]2)CCN(C(=O)C2=NSNC2=O)C1	REAL300033306429	1	38	-1.0	-66.73	316.95	1.80	-64.93
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300033306484	1	42	-1.0	-65.80	350.78	4.07	-61.73
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300033306487	0	41	-1.0	-66.91	337.36	3.09	-63.82
CC1=CC=C([O-])C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(C)(F)C2)=N1	REAL300033306527	1	44	-1.0	-80.11	358.44	5.32	-74.79
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300033306536	0	40	-1.0	-65.24	340.97	2.63	-62.61
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300033306543	0	42	-1.0	-82.52	340.06	5.46	-77.06
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300033306592	1	42	-1.0	-80.73	340.37	4.00	-76.73
CC1(F)CN(C(=O)C2=CC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)C1	REAL300033306650	0	39	-1.0	-69.23	321.85	1.26	-67.97
CC1(F)CN(C(=O)C(=O)[PH](C)(C)[O-])CCN(C(=O)C2=NSNC2=O)C1	REAL300033306655	0	44	-1.0	-68.79	357.17	2.69	-66.10
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300033306695	0	42	-1.0	-72.42	353.78	4.72	-67.70
CC1(F)CN(C(=O)C2=NC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)C1	REAL300033306709	0	38	-1.0	-63.60	315.66	1.26	-62.34
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300033306712	0	42	-1.0	-93.33	357.25	4.73	-88.60
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300033306796	0	42	-1.0	-81.61	351.62	4.23	-77.38
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300033306796	1	42	-1.0	-81.61	351.62	4.23	-77.38
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(C)(F)C2)=C1O	REAL300033306835	0	44	-1.0	-76.97	352.93	6.00	-70.97
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(C)(F)C2)=C1[O-]	REAL300033306835	1	44	-1.0	-76.97	352.93	6.00	-70.97
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CN=CC(O)=C2)C1	REAL300033306884	0	41	-1.0	-69.47	330.71	2.04	-67.43
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300033306884	1	41	-1.0	-69.47	330.71	2.04	-67.43
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300033306959	0	42	-1.0	-68.32	357.88	4.24	-64.08
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300033306960	0	42	-1.0	-82.88	350.55	5.22	-77.66
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(C)(F)C2)=N[N-]1	REAL300033307036	0	43	-1.0	-70.59	349.39	5.16	-65.43
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300033307048	0	42	-1.0	-95.53	339.39	5.39	-90.14
CN1N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(C)(F)C2)[N-]C1=O	REAL300033307082	0	41	-1.0	-77.32	339.35	1.41	-75.91
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300033307176	1	42	-1.0	-72.42	342.34	3.88	-68.54
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300033307212	0	40	-1.0	-65.53	335.70	0.12	-65.41
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300033307212	1	40	-1.0	-65.53	335.70	0.12	-65.41
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NSNC2=O)C1	REAL300033307314	0	38	-1.0	-75.34	316.95	1.16	-74.18
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300033307407	0	42	-1.0	-59.25	358.05	-0.14	-59.39
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(C)(F)C2)=CC1=O	REAL300033307441	0	45	-1.0	-70.54	365.42	3.74	-66.80
CN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(C)(F)C2)=CC1=O	REAL300033307455	0	42	-1.0	-69.61	343.60	2.81	-66.80
CC1(F)CN(C(=O)CC2=CC(=O)NN2)CCN(C(=O)C2=NSNC2=O)C1	REAL300033307527	0	42	-1.0	-76.53	351.68	1.44	-75.09
CC1(F)CN(C(=O)CC2=CC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)C1	REAL300033307527	1	42	-1.0	-76.53	351.68	1.44	-75.09
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C(O)C(F)=C2)C1	REAL300033307529	0	42	-1.0	-72.36	342.31	3.92	-68.44
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300033307529	1	42	-1.0	-72.36	342.31	3.92	-68.44
CC1=CN=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(C)(F)C2)C(O)=C1	REAL300033307578	0	44	-1.0	-77.24	352.23	5.75	-71.49
CC1=CN=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(C)(F)C2)C([O-])=C1	REAL300033307578	1	44	-1.0	-77.24	352.23	5.75	-71.49
CC1(F)CN(C(=O)C2=CC([O-])=CS2)CCN(C(=O)C2=NSNC2=O)C1	REAL300033307589	0	39	-1.0	-81.60	325.99	2.60	-79.00
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300033307599	0	42	-1.0	-80.18	340.74	4.22	-75.96
CN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC(C)(F)C2)=CC1=O	REAL300033307682	0	42	-1.0	-69.61	343.60	2.81	-66.80
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300033307754	0	40	-1.0	-71.12	333.74	-0.57	-71.69
CC1(F)CN(C(=O)C2=NSNC2=O)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300033307754	1	40	-1.0	-65.53	335.70	0.12	-65.41
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NSNC2=O)C1	REAL300033307837	0	38	-1.0	-75.34	316.95	1.16	-74.18
O=C(C1=COC(=O)[N-]1)N1CCCC2(CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300033308195	1	45	-1.0	-56.05	355.10	1.96	-54.09
O=C(C1=CC(=O)N[N-]1)N1CCCC2(CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300033308277	0	46	-1.0	-59.38	360.03	1.87	-57.51
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CN1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300033309794	0	42	-1.0	-58.71	359.95	-4.96	-63.67
CN1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)CN1C(=O)[N-]NC1=O	REAL300033309842	0	44	-1.0	-60.89	373.75	-3.32	-64.21
CN1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300033310182	0	44	-1.0	-71.20	370.72	1.16	-70.04
CN1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300033310257	0	44	-1.0	-52.67	371.18	-3.75	-56.42
CN1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=COC(=O)[N-]1	REAL300033310268	1	40	-1.0	-53.66	343.25	-3.92	-57.58
CCN1[N-]C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCN2C)=CC1=O	REAL300033310373	0	47	-1.0	-57.84	392.63	-0.27	-58.11
CN1N=C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCN2C)[N-]C1=O	REAL300033310399	0	43	-1.0	-60.25	365.71	-2.72	-62.97
CN1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=C[N-]N=CC1=O	REAL300033310451	0	42	-1.0	-47.59	352.31	-0.76	-48.35
CN1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(=O)N[N-]1	REAL300033310509	0	41	-1.0	-54.30	348.08	-2.92	-57.22
CN1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C(=O)[PH](C)(C)[O-]	REAL300033310514	0	46	-1.0	-52.59	382.52	-1.42	-54.01
CN1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)CCC1=NNC(=O)[N-]1	REAL300033310532	0	46	-1.0	-58.32	384.10	-2.72	-61.04
CN1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=CN([O-])C1=O	REAL300033310534	0	44	-1.0	-82.66	369.02	2.06	-80.60
CC1SC(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCN2C)=NC1=O	REAL300033310553	0	43	-1.0	-58.66	374.93	-2.79	-61.45
CC1=C([O-])N=C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCN2C)S1	REAL300033310553	1	43	-1.0	-58.66	374.93	-2.79	-61.45
CN1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300033310567	0	44	-1.0	-71.31	371.40	1.16	-70.15
CN1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300033310588	0	44	-1.0	-84.58	368.05	1.98	-82.60
CN1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)CC1=NC([O-])=CS1	REAL300033310689	0	43	-1.0	-75.32	374.71	-2.99	-78.31
CC1=CC(=O)C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCN2C)=N[N-]1	REAL300033310827	0	45	-1.0	-57.53	377.11	0.89	-56.64
CN1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=NC(=O)N[N-]1	REAL300033310837	0	40	-1.0	-52.89	342.98	-4.20	-57.09
CN1CCN(C(=O)C2=NC=CC=C2[O-])CC1CNC(=O)C1=NSNC1=O	REAL300033311171	1	43	-1.0	-63.15	363.54	-0.06	-63.21
CN1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1CNC(=O)C1=NSNC1=O	REAL300033311260	0	42	-1.0	-56.65	359.89	-5.08	-61.73
CN1CCN(C(=O)CN2C(=O)[N-]NC2=O)CC1CNC(=O)C1=NSNC1=O	REAL300033311346	0	44	-1.0	-58.81	377.11	-3.56	-62.37
CN1CCN(C(=O)C2=COC(=O)[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300033312130	1	40	-1.0	-47.81	343.18	-2.88	-50.69
CN1CCN(C(=O)C2=CC=C([O-])C=C2F)CC1CNC(=O)C1=NSNC1=O	REAL300033312192	1	44	-1.0	-55.67	371.54	-0.04	-55.71
CN1CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1CNC(=O)C1=NSNC1=O	REAL300033312195	0	43	-1.0	-51.46	370.14	-0.65	-52.11
CN1CCN(C(=O)C2=C[N-]N=CC2=O)CC1CNC(=O)C1=NSNC1=O	REAL300033312252	0	42	-1.0	-43.50	351.55	-1.43	-44.93
CN1CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1CNC(=O)C1=NSNC1=O	REAL300033312259	0	44	-1.0	-70.13	370.20	1.38	-68.75
CN1CCN(C(=O)C2=CC=CC([O-])=C2F)CC1CNC(=O)C1=NSNC1=O	REAL300033312314	1	44	-1.0	-67.19	370.50	0.07	-67.12
CN1CCN(C(=O)C2=CC(=O)N[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300033312378	0	41	-1.0	-50.62	348.22	-2.78	-53.40
CN1CCN(C(=O)C(=O)[PH](C)(C)[O-])CC1CNC(=O)C1=NSNC1=O	REAL300033312383	0	46	-1.0	-49.49	382.72	-1.92	-51.41
CN1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1CNC(=O)C1=NSNC1=O	REAL300033312428	0	44	-1.0	-64.19	379.27	0.79	-63.40
CN1CCN(C(=O)C2=NC(=O)N[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300033312442	0	40	-1.0	-48.11	342.92	-3.53	-51.64
CN1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1CNC(=O)C1=NSNC1=O	REAL300033312446	0	44	-1.0	-60.24	367.95	0.48	-59.76
CN1CCN(C(=O)C2=CC(F)=CC=C2O)CC1CNC(=O)C1=NSNC1=O	REAL300033312542	0	44	-1.0	-60.39	370.39	1.39	-59.00
CN1CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1CNC(=O)C1=NSNC1=O	REAL300033312542	1	44	-1.0	-60.39	370.39	1.39	-59.00
CC1=CC=NC(C(=O)N2CCN(C)C(CNC(=O)C3=NSNC3=O)C2)=C1O	REAL300033312583	0	46	-1.0	-62.85	383.76	0.66	-62.19
CC1=CC=NC(C(=O)N2CCN(C)C(CNC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300033312583	1	46	-1.0	-62.85	383.76	0.66	-62.19
CN1CCN(C(=O)CC2=NC([O-])=CS2)CC1CNC(=O)C1=NSNC1=O	REAL300033312716	0	43	-1.0	-73.10	377.79	-3.31	-76.41
CC1=CC(=O)C(C(=O)N2CCN(C)C(CNC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033312811	0	45	-1.0	-54.54	377.48	1.14	-53.40
CN1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1CNC(=O)C1=NSNC1=O	REAL300033312826	0	44	-1.0	-83.30	369.44	1.38	-81.92
CN1N=C(C(=O)N2CCN(C)C(CNC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033312868	0	43	-1.0	-57.66	365.69	-2.71	-60.37
CN1CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1CNC(=O)C1=NSNC1=O	REAL300033312981	1	44	-1.0	-64.60	374.15	0.09	-64.51
CN1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1CNC(=O)C1=NSNC1=O	REAL300033313026	0	42	-1.0	-48.73	362.16	-4.40	-53.13
CN1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300033313026	1	42	-1.0	-48.73	362.16	-4.40	-53.13
CN1CCN(C(=O)C2=CN=C(N)NC2=O)CC1CNC(=O)C1=NSNC1=O	REAL300033313060	0	44	-1.0	-59.77	376.08	-2.81	-62.58
CN1CCN(C(=O)C2=CN=C(N)[N-]C2=O)CC1CNC(=O)C1=NSNC1=O	REAL300033313060	1	44	-1.0	-59.77	376.08	-2.81	-62.58
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=NSNC1=O	REAL300033313140	0	40	-1.0	-54.79	342.99	-2.95	-57.74
CC1SC(C(=O)N2CCN(C)C(CNC(=O)C3=NSNC3=O)C2)=NC1=O	REAL300033313155	0	43	-1.0	-52.93	374.90	-2.04	-54.97
CC1=C([O-])N=C(C(=O)N2CCN(C)C(CNC(=O)C3=NSNC3=O)C2)S1	REAL300033313155	1	43	-1.0	-52.93	374.90	-2.04	-54.97
CN1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1CNC(=O)C1=NSNC1=O	REAL300033313246	0	44	-1.0	-49.08	371.79	-4.35	-53.43
CCN1[N-]C(C(=O)N2CCN(C)C(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033313284	0	47	-1.0	-53.90	392.59	-0.33	-54.23
CN1[N-]C(C(=O)N2CCN(C)C(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033313300	0	44	-1.0	-53.04	370.78	-1.27	-54.31
CN1CCN(C(=O)C2=CC=C(O)C(F)=C2)CC1CNC(=O)C1=NSNC1=O	REAL300033313380	0	44	-1.0	-57.46	374.12	0.12	-57.34
CN1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1CNC(=O)C1=NSNC1=O	REAL300033313380	1	44	-1.0	-57.46	374.12	0.12	-57.34
CC1=CN=C(C(=O)N2CCN(C)C(CNC(=O)C3=NSNC3=O)C2)C(O)=C1	REAL300033313435	0	46	-1.0	-64.39	385.06	0.60	-63.79
CC1=CN=C(C(=O)N2CCN(C)C(CNC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300033313435	1	46	-1.0	-64.39	385.06	0.60	-63.79
CN1CCN(C(=O)C2=CC([O-])=CS2)CC1CNC(=O)C1=NSNC1=O	REAL300033313447	0	41	-1.0	-60.98	358.92	-0.94	-61.92
CN1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1CNC(=O)C1=NSNC1=O	REAL300033313458	0	44	-1.0	-62.87	378.59	0.76	-62.11
CN1[N-]C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCN2C)=CC1=O	REAL300033313549	0	44	-1.0	-56.65	371.21	-1.20	-57.85
CN1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300033313633	0	42	-1.0	-55.33	361.51	-5.97	-61.30
CN1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300033313633	1	42	-1.0	-49.93	362.15	-5.20	-55.13
CN1CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300033313732	0	40	-1.0	-57.84	342.82	-2.43	-60.27
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=NSNC1=O)C1=NNC(=O)[N-]C1=O	REAL300033314823	0	37	-1.0	-63.11	338.37	-3.64	-66.75
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O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=NSNC1=O)C1=CN([O-])C(=O)C=C1	REAL300033315427	0	39	-1.0	-74.73	350.74	2.44	-72.29
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=NSNC1=O)C1=CC(=O)NC([O-])=C1	REAL300033315533	0	39	-1.0	-55.42	350.14	-2.41	-57.83
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300033315544	1	35	-1.0	-54.85	323.27	-2.62	-57.47
O=C([N-]C[C@@H]1C[C@H](F)CN1C(=O)C1=NSNC1=O)C(F)(F)C(F)(F)F	REAL300033315628	0	34	-1.0	-53.41	324.75	2.46	-50.95
CCN1[N-]C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=NSNC2=O)=CC1=O	REAL300033315705	0	42	-1.0	-60.30	371.53	1.08	-59.22
O=C(CC1=CC(=O)N[N-]1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=NSNC1=O	REAL300033315712	1	39	-1.0	-67.67	348.77	-0.98	-68.65
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CN1N=C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=NSNC2=O)[N-]C1=O	REAL300033315748	0	38	-1.0	-63.15	344.31	-1.35	-64.50
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C[PH](C)([O-])C(=O)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=NSNC1=O	REAL300033315918	0	41	-1.0	-55.65	360.00	-0.25	-55.90
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CC1=C([O-])N=C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=NSNC2=O)S1	REAL300033315971	1	38	-1.0	-60.22	353.53	-1.42	-61.64
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CC1=CC(=O)C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=NSNC2=O)=N[N-]1	REAL300033316397	0	40	-1.0	-62.30	355.56	2.23	-60.07
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COC1=NC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300033316522	0	41	-1.0	-61.52	367.80	-3.59	-65.11
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CCN1[N-]C(C(=O)NCC23CC(C2)CN3C(=O)C2=NSNC2=O)=CC1=O	REAL300033322563	0	43	-1.0	-69.42	371.43	2.10	-67.32
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CC1CCN(C(=O)C2=CC=C(F)C(O)=C2)C(C)C1NC(=O)C1=NSNC1=O	REAL300033339601	0	45	-1.0	-57.55	375.80	2.97	-54.58
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CC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C(C)C1NC(=O)C1=NSNC1=O	REAL300033339639	0	43	-1.0	-51.96	362.56	-2.56	-54.52
CC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C(C)C1NC(=O)C1=NSNC1=O	REAL300033339639	1	43	-1.0	-53.17	357.17	-2.10	-55.27
CC1CCN(C(=O)C2=CN=C(N)[N-]C2=O)C(C)C1NC(=O)C1=NSNC1=O	REAL300033339667	1	45	-1.0	-64.75	376.69	0.12	-64.63
CC1CCN(C(=O)C2=CC=NC=C2[O-])C(C)C1NC(=O)C1=NSNC1=O	REAL300033339732	0	44	-1.0	-65.34	350.28	2.02	-63.32
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=NSNC1=O	REAL300033339737	0	41	-1.0	-55.35	333.71	-0.27	-55.62
CC1=C([O-])N=C(C(=O)N2CCC(C)C(NC(=O)C3=NSNC3=O)C2C)S1	REAL300033339749	1	44	-1.0	-52.52	365.76	0.57	-51.95
CC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C(C)C1NC(=O)C1=NSNC1=O	REAL300033339830	0	45	-1.0	-59.55	380.77	-1.11	-60.66
CCN1[N-]C(C(=O)N2CCC(C)C(NC(=O)C3=NSNC3=O)C2C)=CC1=O	REAL300033339866	0	48	-1.0	-66.37	395.30	2.82	-63.55
CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)C(C)C1NC(=O)C1=NSNC1=O	REAL300033339878	0	45	-1.0	-65.38	373.49	1.88	-63.50
CC1CCN(C(=O)CC2=CC(=O)N[N-]2)C(C)C1NC(=O)C1=NSNC1=O	REAL300033339940	1	45	-1.0	-63.68	362.87	0.20	-63.48
CC1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C(C)C1NC(=O)C1=NSNC1=O	REAL300033339944	1	45	-1.0	-57.64	375.76	2.99	-54.65
CC1=CN=C(C(=O)N2CCC(C)C(NC(=O)C3=NSNC3=O)C2C)C([O-])=C1	REAL300033339990	1	47	-1.0	-69.85	385.20	3.67	-66.18
CC1CCN(C(=O)C2=CC([O-])=CS2)C(C)C1NC(=O)C1=NSNC1=O	REAL300033340001	0	42	-1.0	-63.77	347.79	1.61	-62.16
CC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C(C)C1NC(=O)C1=NSNC1=O	REAL300033340010	0	45	-1.0	-74.31	365.67	3.00	-71.31
CC1CCN(C(=O)C2=NSNC2=O)C(C)C1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300033340090	0	45	-1.0	-61.72	365.97	1.18	-60.54
CC1CCN(C(=O)C2=NSNC2=O)C(C)C1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300033340158	0	43	-1.0	-58.35	353.02	-2.57	-60.92
CC1CCN(C(=O)C2=NSNC2=O)C(C)C1NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300033340158	1	43	-1.0	-58.35	353.02	-2.57	-60.92
CC1CCN(C(=O)C2=NSNC2=O)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300033340247	0	41	-1.0	-67.53	343.66	0.39	-67.14
CC1(CNC(=O)C2=NNC(=O)[N-]C2=O)CCCN1C(=O)C1=NSNC1=O	REAL300033341424	0	40	-1.0	-62.22	346.17	-2.58	-64.80
CC1(CNC(=O)CN2C(=O)[N-]NC2=O)CCCN1C(=O)C1=NSNC1=O	REAL300033341508	0	42	-1.0	-67.64	360.41	-0.98	-68.62
CC1(CNC(=O)C2=CN([O-])C(=O)C=C2)CCCN1C(=O)C1=NSNC1=O	REAL300033342099	0	42	-1.0	-72.43	357.99	3.56	-68.87
CC1(CNC(=O)C2=CC(=O)NC([O-])=C2)CCCN1C(=O)C1=NSNC1=O	REAL300033342213	0	42	-1.0	-52.12	358.36	-1.35	-53.47
CC1(CNC(=O)C2=COC(=O)[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300033342224	1	38	-1.0	-52.61	330.43	-1.51	-54.12
CC1(C[N-]C(=O)C(F)(F)C(F)(F)F)CCCN1C(=O)C1=NSNC1=O	REAL300033342314	1	37	-1.0	-54.79	333.24	3.08	-51.71
CCN1[N-]C(C(=O)NCC2(C)CCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300033342394	0	45	-1.0	-59.44	379.81	2.13	-57.31
CC1(CNC(=O)CC2=CC(=O)N[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300033342402	1	42	-1.0	-68.10	355.20	0.08	-68.02
CC1(CNC(=O)C2=CC=CC(=S)N2[O-])CCCN1C(=O)C1=NSNC1=O	REAL300033342420	0	42	-1.0	-95.88	365.81	5.59	-90.29
CC1(CNC(=O)CC2SC(=O)[N-]C2=O)CCCN1C(=O)C1=NSNC1=O	REAL300033342429	0	42	-1.0	-57.86	368.39	-1.38	-59.24
CN1N=C(C(=O)NCC2(C)CCCN2C(=O)C2=NSNC2=O)[N-]C1=O	REAL300033342445	0	41	-1.0	-63.22	351.86	-0.31	-63.53
CC1(CNC(=O)C2=C[N-]N=CC2=O)CCCN1C(=O)C1=NSNC1=O	REAL300033342534	0	40	-1.0	-56.84	327.10	2.62	-54.22
CC1(CNC(=O)C2=CC(=O)N[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300033342633	0	39	-1.0	-55.32	335.26	-0.52	-55.84
CC1(CNC(=O)C(=O)[PH](C)(C)[O-])CCCN1C(=O)C1=NSNC1=O	REAL300033342638	0	44	-1.0	-58.46	368.54	0.92	-57.54
CC1(CNC(=O)CCC2=NC(=O)NN2)CCCN1C(=O)C1=NSNC1=O	REAL300033342665	0	44	-1.0	-64.93	370.65	-0.89	-65.82
CC1(CNC(=O)CCC2=NC(=O)[N-]N2)CCCN1C(=O)C1=NSNC1=O	REAL300033342665	1	44	-1.0	-64.93	370.65	-0.89	-65.82
CC1(CNC(=O)C2=CC=CN([O-])C2=O)CCCN1C(=O)C1=NSNC1=O	REAL300033342669	0	42	-1.0	-61.23	354.76	3.67	-57.56
CC1SC(C(=O)NCC2(C)CCCN2C(=O)C2=NSNC2=O)=NC1=O	REAL300033342697	0	41	-1.0	-58.89	361.27	-0.44	-59.33
CC1=C([O-])N=C(C(=O)NCC2(C)CCCN2C(=O)C2=NSNC2=O)S1	REAL300033342697	1	41	-1.0	-58.89	361.27	-0.44	-59.33
CC1(CNC(=O)C2=CC(=O)C=C(Cl)N2)CCCN1C(=O)C1=NSNC1=O	REAL300033342711	0	41	-1.0	-53.48	364.76	2.76	-50.72
CC1(CNC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300033342711	1	41	-1.0	-53.48	364.76	2.76	-50.72
CC1(CNC(=O)C2=CC(=O)N([O-])C=C2)CCCN1C(=O)C1=NSNC1=O	REAL300033342728	0	42	-1.0	-73.00	357.62	3.54	-69.46
CC1(CNC(=O)C2=CC=CC(=O)N2[O-])CCCN1C(=O)C1=NSNC1=O	REAL300033342761	0	42	-1.0	-92.47	354.69	4.54	-87.93
CC1(CNC(=O)CC2=C([O-])N=C(N)S2)CCCN1C(=O)C1=NSNC1=O	REAL300033342884	0	43	-1.0	-81.01	375.86	-1.51	-82.52
CC1(CNC(=O)CC2=NC([O-])=CS2)CCCN1C(=O)C1=NSNC1=O	REAL300033342929	0	41	-1.0	-80.26	361.05	-0.64	-80.90
CCC1=NC=C(C(=O)NCC2(C)CCCN2C(=O)C2=NSNC2=O)C(=O)N1	REAL300033342947	0	46	-1.0	-53.06	379.78	1.97	-51.09
CCC1=NC=C(C(=O)NCC2(C)CCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033342947	1	46	-1.0	-53.06	379.78	1.97	-51.09
CC1=CC(=O)C(C(=O)NCC2(C)CCCN2C(=O)C2=NSNC2=O)=N[N-]1	REAL300033343158	0	43	-1.0	-62.28	363.33	3.28	-59.00
CC1(CNC(=O)C2=NNC(=O)[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300033343173	0	38	-1.0	-61.05	329.22	-2.02	-63.07
CC1(CNC(=O)C2=CN=C(C=N[O-])S2)CCCN1C(=O)C1=NSNC1=O	REAL300033343284	0	41	-1.0	-67.91	370.10	1.02	-66.89
COC1=NC(C(=O)NCC2(C)CCCN2C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300033343297	0	44	-1.0	-63.13	375.45	-2.55	-65.68
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NC=CC=C1[O-]	REAL300033343553	1	41	-1.0	-70.86	347.09	3.10	-67.76
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300033343666	0	40	-1.0	-64.31	346.19	-2.70	-67.01
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300033343804	0	42	-1.0	-64.15	363.99	-1.09	-65.24
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300033344906	1	42	-1.0	-57.45	361.07	4.55	-52.90
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300033344929	1	43	-1.0	-50.59	367.48	3.18	-47.41
CCC1=NC=C(C(=O)N2CCCC2(C)CNC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033344996	1	46	-1.0	-57.45	380.59	1.74	-55.71
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=COC(=O)[N-]1	REAL300033345011	1	38	-1.0	-52.00	329.81	-0.55	-52.55
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300033345077	0	41	-1.0	-55.59	368.28	-0.82	-56.41
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300033345078	0	43	-1.0	-77.90	379.44	-1.69	-79.59
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C([O-])C=C1F	REAL300033345097	1	42	-1.0	-56.56	351.05	2.71	-53.85
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300033345103	0	41	-1.0	-55.14	355.06	1.83	-53.31
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300033345109	1	43	-1.0	-58.25	366.79	3.23	-55.02
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300033345112	0	41	-1.0	-53.25	356.83	2.77	-50.48
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300033345124	0	43	-1.0	-70.95	374.13	-2.30	-73.25
CC1=CC=C([O-])C(C(=O)N2CCCC2(C)CNC(=O)C2=NSNC2=O)=N1	REAL300033345178	1	44	-1.0	-71.69	368.75	3.70	-67.99
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300033345195	0	40	-1.0	-48.53	336.39	1.46	-47.07
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300033345202	0	42	-1.0	-62.90	351.14	4.20	-58.70
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=CC([O-])=C1F	REAL300033345277	1	42	-1.0	-64.12	351.45	2.91	-61.21
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300033345359	0	39	-1.0	-55.49	335.28	-0.48	-55.97
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300033345364	0	44	-1.0	-55.35	368.88	0.71	-54.64
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300033345438	0	42	-1.0	-68.19	352.59	3.38	-64.81
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NNC(=O)[N-]1	REAL300033345462	0	38	-1.0	-61.69	329.34	-2.04	-63.73
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=CN([O-])C1=O	REAL300033345467	0	42	-1.0	-73.61	356.04	3.45	-70.16
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(F)=CC=C1O	REAL300033345602	0	42	-1.0	-57.05	350.75	4.12	-52.93
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300033345602	1	42	-1.0	-57.05	350.75	4.12	-52.93
CC1=CC=NC(C(=O)N2CCCC2(C)CNC(=O)C2=NSNC2=O)=C1O	REAL300033345660	0	44	-1.0	-72.19	366.93	3.78	-68.41
CC1=CC=NC(C(=O)N2CCCC2(C)CNC(=O)C2=NSNC2=O)=C1[O-]	REAL300033345660	1	44	-1.0	-72.19	366.93	3.78	-68.41
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CN=CC(O)=C1	REAL300033345752	0	41	-1.0	-57.03	341.60	0.96	-56.07
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CN=CC([O-])=C1	REAL300033345752	1	41	-1.0	-57.03	341.60	0.96	-56.07
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300033345762	0	42	-1.0	-71.81	371.98	3.98	-67.83
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300033345859	0	41	-1.0	-51.13	364.85	1.98	-49.15
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(O)C=C1Cl	REAL300033345896	0	42	-1.0	-54.00	360.30	3.24	-50.76
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300033345896	1	42	-1.0	-54.00	360.30	3.24	-50.76
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)CC1=NC([O-])=CS1	REAL300033345903	0	41	-1.0	-81.08	364.57	-0.85	-81.93
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300033345917	0	44	-1.0	-66.25	379.90	-0.19	-66.44
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300033345993	0	42	-1.0	-57.42	371.84	-1.62	-59.04
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300033346013	0	42	-1.0	-56.69	357.90	2.82	-53.87
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300033346019	0	42	-1.0	-57.90	360.95	4.67	-53.23
CC1=CC(=O)C(C(=O)N2CCCC2(C)CNC(=O)C2=NSNC2=O)=N[N-]1	REAL300033346042	0	43	-1.0	-61.97	363.35	3.17	-58.80
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300033346061	0	42	-1.0	-69.49	360.87	3.35	-66.14
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300033346082	0	42	-1.0	-53.09	365.50	1.22	-51.87
CN1N=C(C(=O)N2CCCC2(C)CNC(=O)C2=NSNC2=O)[N-]C1=O	REAL300033346123	0	41	-1.0	-64.85	352.23	-0.35	-65.20
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300033346169	0	43	-1.0	-53.75	365.20	4.44	-49.31
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300033346243	0	42	-1.0	-55.07	360.68	0.89	-54.18
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(F)C(O)=C1	REAL300033346286	0	42	-1.0	-62.52	352.84	2.87	-59.65
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300033346286	1	42	-1.0	-62.52	352.84	2.87	-59.65
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(Cl)C=C1O	REAL300033346301	0	42	-1.0	-59.43	361.07	4.56	-54.87
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300033346301	1	42	-1.0	-59.43	361.07	4.56	-54.87
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300033346357	0	40	-1.0	-54.23	347.57	-2.93	-57.16
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300033346357	1	40	-1.0	-50.44	348.85	-2.20	-52.64
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300033346400	1	42	-1.0	-57.84	354.00	0.08	-57.76
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(F)C([O-])=C1F	REAL300033346430	0	42	-1.0	-65.83	357.07	2.76	-63.07
COC1=NC(C(=O)N2CCCC2(C)CNC(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300033346470	0	44	-1.0	-62.90	372.48	-2.01	-64.91
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300033346475	0	41	-1.0	-68.85	362.80	3.60	-65.25
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300033346506	0	42	-1.0	-58.22	362.64	3.36	-54.86
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=NC=C1[O-]	REAL300033346514	0	41	-1.0	-59.65	339.26	2.26	-57.39
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300033346519	0	38	-1.0	-60.52	329.69	-0.38	-60.90
CC1=C([O-])N=C(C(=O)N2CCCC2(C)CNC(=O)C2=NSNC2=O)S1	REAL300033346537	1	41	-1.0	-57.84	361.42	0.17	-57.67
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300033346620	1	44	-1.0	-59.46	372.36	2.56	-56.90
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300033346636	0	41	-1.0	-66.80	364.70	0.82	-65.98
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300033346653	1	41	-1.0	-53.95	364.59	3.01	-50.94
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300033346671	0	42	-1.0	-50.85	352.75	-1.52	-52.37
CCN1[N-]C(C(=O)N2CCCC2(C)CNC(=O)C2=NSNC2=O)=CC1=O	REAL300033346725	0	45	-1.0	-61.42	379.19	2.10	-59.32
CN1[N-]C(C(=O)N2CCCC2(C)CNC(=O)C2=NSNC2=O)=CC1=O	REAL300033346739	0	42	-1.0	-60.51	357.46	1.16	-59.35
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300033346748	0	42	-1.0	-59.33	375.13	-0.83	-60.16
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)CC1=CC(=O)N[N-]1	REAL300033346850	1	42	-1.0	-67.66	358.71	-0.04	-67.70
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300033346855	1	42	-1.0	-58.14	352.81	2.89	-55.25
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300033346891	0	42	-1.0	-57.44	359.00	2.96	-54.48
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300033346895	0	41	-1.0	-56.66	356.14	2.78	-53.88
CC1=C(CC(=O)N2CCCC2(C)CNC(=O)C2=NSNC2=O)C(=O)N(C)[N-]1	REAL300033346909	0	48	-1.0	-68.04	401.71	2.40	-65.64
CC1=CN=C(C(=O)N2CCCC2(C)CNC(=O)C2=NSNC2=O)C([O-])=C1	REAL300033346944	1	44	-1.0	-74.57	368.00	3.70	-70.87
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC([O-])=CS1	REAL300033346963	0	39	-1.0	-63.14	338.48	1.68	-61.46
CC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300033346976	0	42	-1.0	-67.18	352.27	3.38	-63.80
CN1[N-]C(C(=O)NCC2(C)CCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300033347125	0	42	-1.0	-58.48	358.08	1.19	-57.29
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300033347132	0	42	-1.0	-59.33	372.24	-0.72	-60.05
CC1(CNC(=O)C2=NC(=O)[N-]C(=O)N2)CCCN1C(=O)C1=NSNC1=O	REAL300033347281	0	40	-1.0	-54.86	347.85	-3.63	-58.49
CC1(CNC(=O)C2=NC(=O)NC(=O)[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300033347281	1	40	-1.0	-49.84	349.03	-2.84	-52.68
CC1(CNC(=O)CN2[N-]C(=O)C=CC2=O)CCCN1C(=O)C1=NSNC1=O	REAL300033347420	0	44	-1.0	-65.63	376.32	0.02	-65.61
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NSNC1=O	REAL300033347427	0	38	-1.0	-57.34	330.00	-0.04	-57.38
CC1(CNC(=O)C2=CN([O-])C(=O)NC2=O)CCCN1C(=O)C1=NSNC1=O	REAL300033347438	0	42	-1.0	-55.88	360.04	1.16	-54.72
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC21)C1=NNC(=O)[N-]C1=O	REAL300033348717	0	38	-1.0	-59.95	339.21	-3.24	-63.19
O=C(CN1C(=O)[N-]NC1=O)NC1CC2CN(C(=O)C3=NSNC3=O)CC21	REAL300033348808	0	40	-1.0	-61.09	353.62	-1.74	-62.83
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC21)C1=CN([O-])C(=O)C=C1	REAL300033349434	0	40	-1.0	-73.07	347.75	3.28	-69.79
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC21)C1=CC(=O)NC([O-])=C1	REAL300033349554	0	40	-1.0	-52.49	351.09	-2.15	-54.64
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC21)C1=COC(=O)[N-]1	REAL300033349565	1	36	-1.0	-51.68	322.82	-2.17	-53.85
O=C([N-]C1CC2CN(C(=O)C3=NSNC3=O)CC21)C(F)(F)C(F)(F)F	REAL300033349659	1	35	-1.0	-46.28	329.40	1.20	-45.08
CCN1[N-]C(C(=O)NC2CC3CN(C(=O)C4=NSNC4=O)CC32)=CC1=O	REAL300033349741	0	43	-1.0	-57.06	372.20	1.47	-55.59
O=C(CC1=CC(=O)N[N-]1)NC1CC2CN(C(=O)C3=NSNC3=O)CC21	REAL300033349749	1	40	-1.0	-65.10	348.62	-0.70	-65.80
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC21)C1=CC=CC(=S)N1[O-]	REAL300033349767	0	40	-1.0	-95.07	359.13	4.92	-90.15
O=C(CC1SC(=O)[N-]C1=O)NC1CC2CN(C(=O)C3=NSNC3=O)CC21	REAL300033349777	0	40	-1.0	-55.31	361.43	-2.01	-57.32
CN1N=C(C(=O)NC2CC3CN(C(=O)C4=NSNC4=O)CC32)[N-]C1=O	REAL300033349793	0	39	-1.0	-60.40	344.97	-0.96	-61.36
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC21)C1=C[N-]N=CC1=O	REAL300033349884	0	38	-1.0	-54.13	329.37	1.36	-52.77
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC21)C1=CC(=O)N[N-]1	REAL300033349991	0	37	-1.0	-52.76	327.99	-1.33	-54.09
C[PH](C)([O-])C(=O)C(=O)NC1CC2CN(C(=O)C3=NSNC3=O)CC21	REAL300033349996	0	42	-1.0	-58.63	364.64	0.65	-57.98
CN1[N-]C(CC(=O)NC2CC3CN(C(=O)C4=NSNC4=O)CC32)=CC1=O	REAL300033349999	0	43	-1.0	-64.09	367.83	1.15	-62.94
O=C(CCC1=NC(=O)[N-]N1)NC1CC2CN(C(=O)C3=NSNC3=O)CC21	REAL300033350024	1	42	-1.0	-66.93	360.10	-1.53	-68.46
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC21)C1=CC=CN([O-])C1=O	REAL300033350028	0	40	-1.0	-60.25	348.41	2.88	-57.37
CC1=C([O-])N=C(C(=O)NC2CC3CN(C(=O)C4=NSNC4=O)CC32)S1	REAL300033350057	1	39	-1.0	-57.15	354.42	-1.05	-58.20
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC21)C1=CC(=O)C=C(Cl)[N-]1	REAL300033350071	1	39	-1.0	-56.80	356.26	2.63	-54.17
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC21)C1=CC(=O)N([O-])C=C1	REAL300033350090	0	40	-1.0	-74.10	348.16	3.26	-70.84
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC21)C1=CC=CC(=O)N1[O-]	REAL300033350125	0	40	-1.0	-90.41	348.02	3.88	-86.53
O=C(C[N-]C(=O)C(F)(F)F)NC1CC2CN(C(=O)C3=NSNC3=O)CC21	REAL300033350254	0	39	-1.0	-53.19	358.22	-1.47	-54.66
NC1=NC([O-])=C(CC(=O)NC2CC3CN(C(=O)C4=NSNC4=O)CC32)S1	REAL300033350255	0	41	-1.0	-73.82	369.43	-2.30	-76.12
O=C(CC1=NC([O-])=CS1)NC1CC2CN(C(=O)C3=NSNC3=O)CC21	REAL300033350303	0	39	-1.0	-75.44	354.50	-1.41	-76.85
CCC1=NC=C(C(=O)NC2CC3CN(C(=O)C4=NSNC4=O)CC32)C(=O)[N-]1	REAL300033350321	1	44	-1.0	-61.37	370.41	1.72	-59.65
O=C(CN1N=CC(=O)[N-]C1=O)NC1CC2CN(C(=O)C3=NSNC3=O)CC21	REAL300033350330	0	41	-1.0	-66.97	364.12	-2.87	-69.84
CC1=CC(=O)C(C(=O)NC2CC3CN(C(=O)C4=NSNC4=O)CC32)=N[N-]1	REAL300033350549	0	41	-1.0	-63.20	354.87	3.14	-60.06
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC21)C1=NNC(=O)[N-]1	REAL300033350564	0	36	-1.0	-56.64	322.43	-2.78	-59.42
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC21)C1=CN=C(C=N[O-])S1	REAL300033350681	0	39	-1.0	-68.38	363.04	0.41	-67.97
COC1=NC(C(=O)NC2CC3CN(C(=O)C4=NSNC4=O)CC32)=CC(=O)[N-]1	REAL300033350696	0	42	-1.0	-62.40	365.87	-2.78	-65.18
O=C(NC1CC2CN(C(=O)C3=NC=CC=C3[O-])CC21)C1=NSNC1=O	REAL300033350953	1	39	-1.0	-70.78	339.52	2.48	-68.30
O=C(NC1CC2CN(C(=O)C3=NNC(=O)[N-]C3=O)CC21)C1=NSNC1=O	REAL300033351080	0	38	-1.0	-60.29	339.38	-3.46	-63.75
O=C(CN1C(=O)[N-]NC1=O)N1CC2CC(NC(=O)C3=NSNC3=O)C2C1	REAL300033351252	0	40	-1.0	-57.02	353.73	-1.46	-58.48
O=C(NC1CC2CN(C(=O)C3=CC(Cl)=CC=C3[O-])CC21)C1=NSNC1=O	REAL300033352673	1	40	-1.0	-59.64	358.38	3.76	-55.88
N#CC1=CC([O-])=CC(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)C3C2)=C1	REAL300033352698	1	41	-1.0	-54.57	361.45	2.32	-52.25
CCC1=NC=C(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)C3C2)C(=O)[N-]1	REAL300033352786	1	44	-1.0	-64.31	382.91	0.58	-63.73
O=C(NC1CC2CN(C(=O)C3=COC(=O)[N-]3)CC21)C1=NSNC1=O	REAL300033352805	1	36	-1.0	-50.14	320.29	-1.01	-51.15
O=C(C[N-]C(=O)C(F)(F)F)N1CC2CC(NC(=O)C3=NSNC3=O)C2C1	REAL300033352875	0	39	-1.0	-50.19	358.01	-1.52	-51.71
NC1=NC([O-])=C(CC(=O)N2CC3CC(NC(=O)C4=NSNC4=O)C3C2)S1	REAL300033352876	0	41	-1.0	-72.47	372.63	-2.48	-74.95
O=C(NC1CC2CN(C(=O)C3=C(F)C=C([O-])C=C3F)CC21)C1=NSNC1=O	REAL300033352886	0	40	-1.0	-49.58	361.67	2.44	-47.14
O=C(NC1CC2CN(C(=O)C3=CC=C([O-])C=C3F)CC21)C1=NSNC1=O	REAL300033352901	1	40	-1.0	-57.70	352.28	1.69	-56.01
O=C(NC1CC2CN(C(=O)C3=CC([O-])=CC(=O)O3)CC21)C1=NSNC1=O	REAL300033352907	0	39	-1.0	-54.37	348.24	1.03	-53.34
N#CC1=CC=C(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)C3C2)C=C1[O-]	REAL300033352914	1	41	-1.0	-50.89	360.74	2.39	-48.50
O=C(NC1CC2CN(C(=O)C3=CC(Cl)=NC=C3[O-])CC21)C1=NSNC1=O	REAL300033352917	0	39	-1.0	-56.11	353.61	1.80	-54.31
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2CC(NC(=O)C3=NSNC3=O)C2C1	REAL300033352935	0	41	-1.0	-69.31	366.83	-2.98	-72.29
CC1=CC=C([O-])C(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)C3C2)=N1	REAL300033352998	1	42	-1.0	-71.75	361.22	3.06	-68.69
O=C(NC1CC2CN(C(=O)C3=C[N-]N=CC3=O)CC21)C1=NSNC1=O	REAL300033353016	0	38	-1.0	-53.11	341.77	0.26	-52.85
O=C(NC1CC2CN(C(=O)C3=CC=CC(F)=C3[O-])CC21)C1=NSNC1=O	REAL300033353025	0	40	-1.0	-78.11	350.81	3.06	-75.05
O=C(NC1CC2CN(C(=O)C3=CC=CC([O-])=C3F)CC21)C1=NSNC1=O	REAL300033353121	1	40	-1.0	-74.14	351.06	1.80	-72.34
O=C(NC1CC2CN(C(=O)C3=CC(=O)N[N-]3)CC21)C1=NSNC1=O	REAL300033353229	0	37	-1.0	-50.92	324.96	-0.84	-51.76
C[PH](C)([O-])C(=O)C(=O)N1CC2CC(NC(=O)C3=NSNC3=O)C2C1	REAL300033353235	0	42	-1.0	-50.97	358.11	0.25	-50.72
O=C(NC1CC2CN(C(=O)C3=CC(=O)N([O-])C=C3)CC21)C1=NSNC1=O	REAL300033353331	0	40	-1.0	-65.16	355.80	2.90	-62.26
O=C(NC1CC2CN(C(=O)C3=NC(=O)N[N-]3)CC21)C1=NSNC1=O	REAL300033353356	0	36	-1.0	-49.84	319.73	-1.62	-51.46
O=C(NC1CC2CN(C(=O)C3=C(O)C=CC=C3Cl)CC21)C1=NSNC1=O	REAL300033353359	0	40	-1.0	-64.24	367.66	2.31	-61.93
O=C(NC1CC2CN(C(=O)C3=C([O-])C=CC=C3Cl)CC21)C1=NSNC1=O	REAL300033353359	1	40	-1.0	-64.24	367.66	2.31	-61.93
O=C(NC1CC2CN(C(=O)C3=CC=CN([O-])C3=O)CC21)C1=NSNC1=O	REAL300033353363	0	40	-1.0	-81.86	358.13	2.36	-79.50
O=C(NC1CC2CN(C(=O)C3=C(F)C=CC(O)=C3F)CC21)C1=NSNC1=O	REAL300033353392	0	40	-1.0	-58.30	364.77	1.95	-56.35
O=C(NC1CC2CN(C(=O)C3=C(F)C=CC([O-])=C3F)CC21)C1=NSNC1=O	REAL300033353392	1	40	-1.0	-58.30	364.77	1.95	-56.35
O=C(NC1CC2CN(C(=O)C3=CC(F)=CC=C3O)CC21)C1=NSNC1=O	REAL300033353536	0	40	-1.0	-59.01	348.07	3.31	-55.70
O=C(NC1CC2CN(C(=O)C3=CC(F)=CC=C3[O-])CC21)C1=NSNC1=O	REAL300033353536	1	40	-1.0	-59.01	348.07	3.31	-55.70
CC1=CC=NC(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)C3C2)=C1O	REAL300033353601	0	42	-1.0	-63.70	357.34	3.54	-60.16
CC1=CC=NC(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)C3C2)=C1[O-]	REAL300033353601	1	42	-1.0	-63.70	357.34	3.54	-60.16
O=C(NC1CC2CN(C(=O)C3=CN=CC(O)=C3)CC21)C1=NSNC1=O	REAL300033353716	0	39	-1.0	-51.00	335.52	0.15	-50.85
O=C(NC1CC2CN(C(=O)C3=CN=CC([O-])=C3)CC21)C1=NSNC1=O	REAL300033353716	1	39	-1.0	-51.00	335.52	0.15	-50.85
O=C(NC1CC2CN(C(=O)C3=CC=CC(=S)N3[O-])CC21)C1=NSNC1=O	REAL300033353726	0	40	-1.0	-88.11	368.73	2.92	-85.19
O=C(NC1CC2CN(C(=O)C3=CC=C([O-])C(Cl)=N3)CC21)C1=NSNC1=O	REAL300033353838	0	39	-1.0	-51.71	357.93	1.31	-50.40
O=C(NC1CC2CN(C(=O)C3=CC=C(O)C=C3Cl)CC21)C1=NSNC1=O	REAL300033353880	0	40	-1.0	-56.37	360.89	2.11	-54.26
O=C(NC1CC2CN(C(=O)C3=CC=C([O-])C=C3Cl)CC21)C1=NSNC1=O	REAL300033353880	1	40	-1.0	-56.37	360.89	2.11	-54.26
O=C(CC1=NC([O-])=CS1)N1CC2CC(NC(=O)C3=NSNC3=O)C2C1	REAL300033353891	0	39	-1.0	-78.32	357.32	-1.50	-79.82
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CN1[N-]C(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)C3C2)=CC1=O	REAL300033354947	0	40	-1.0	-53.77	347.89	0.83	-52.94
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CC1=CN=C(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)C3C2)C([O-])=C1	REAL300033355201	1	42	-1.0	-65.53	358.46	3.48	-62.05
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CN1[N-]C(C(=O)NC2CC3CN(C(=O)C4=NSNC4=O)CC32)=CC1=O	REAL300033355405	0	40	-1.0	-56.16	350.39	0.54	-55.62
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CC1=CC=C([O-])C(C(=O)N2CC3(CCC3CNC(=O)C3=NSNC3=O)C2)=N1	REAL300033359273	1	45	-1.0	-74.29	389.33	3.17	-71.12
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C[PH](C)([O-])C(=O)C(=O)N1CC2(CCC2CNC(=O)C2=NSNC2=O)C1	REAL300033359432	0	45	-1.0	-66.75	394.26	0.13	-66.62
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O=C(NCC1CCC12CN(C(=O)C1=CC(F)=CC=C1[O-])C2)C1=NSNC1=O	REAL300033359610	1	43	-1.0	-68.43	377.59	3.67	-64.76
CC1=CC=NC(C(=O)N2CC3(CCC3CNC(=O)C3=NSNC3=O)C2)=C1O	REAL300033359652	0	45	-1.0	-73.07	388.05	3.27	-69.80
CC1=CC=NC(C(=O)N2CC3(CCC3CNC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300033359652	1	45	-1.0	-73.07	388.05	3.27	-69.80
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CC1=CC(=O)C(C(=O)N2CC3(CCC3CNC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033359911	0	44	-1.0	-62.90	384.49	2.79	-60.11
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COCC1(CNC(=O)C2=COC(=O)[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300033361613	1	42	-1.0	-55.67	356.26	-1.32	-56.99
COCC1(CNC(=O)CC2=CC(=O)N[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300033361685	1	46	-1.0	-69.76	384.29	0.27	-69.49
COCC1(CNC(=O)C2=NN(C)C(=O)[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300033361693	0	45	-1.0	-65.79	378.33	-0.12	-65.91
COCC1(CNC(=O)C2=C[N-]N=CC2=O)CCCN1C(=O)C1=NSNC1=O	REAL300033361718	0	44	-1.0	-55.51	358.02	2.07	-53.44
COCC1(CNC(=O)C2=CC(=O)N[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300033361752	0	43	-1.0	-57.86	363.69	-0.44	-58.30
COCC1(CNC(=O)C2=NC(=O)N[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300033361902	0	42	-1.0	-56.11	355.68	-1.61	-57.72
COCC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NC=CC=C1[O-]	REAL300033362186	1	45	-1.0	-72.58	373.72	3.23	-69.35
COCC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=COC(=O)[N-]1	REAL300033362545	1	42	-1.0	-55.15	358.75	-0.06	-55.21
COCC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300033362604	0	44	-1.0	-52.23	367.68	2.16	-50.07
COCC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300033362650	0	43	-1.0	-58.52	361.85	0.07	-58.45
COCC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NC(=O)N[N-]1	REAL300033362673	0	42	-1.0	-56.54	358.39	-0.70	-57.24
COCC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CN=CC([O-])=C1	REAL300033362755	1	45	-1.0	-59.46	370.05	1.70	-57.76
COCC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300033362833	0	45	-1.0	-66.92	381.13	0.26	-66.66
COCC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=NC=C1[O-]	REAL300033362923	0	45	-1.0	-63.76	368.10	2.73	-61.03
COCC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300033362925	0	42	-1.0	-61.82	356.85	0.25	-61.57
COCC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300033362991	0	46	-1.0	-61.98	386.08	1.77	-60.21
COCC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)CC1=CC(=O)N[N-]1	REAL300033363022	1	46	-1.0	-69.66	389.83	-1.00	-70.66
COCC1(CNC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC([O-])=CS1	REAL300033363052	0	43	-1.0	-67.40	366.05	2.44	-64.96
COCC1(CNC(=O)C2=CC(=O)N(C)[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300033363101	0	46	-1.0	-60.48	386.45	1.36	-59.12
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NSNC1=O	REAL300033363193	0	42	-1.0	-60.57	355.83	0.16	-60.41
CC1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033363669	1	44	-1.0	-56.15	373.65	2.47	-53.68
CC1CN(C(=O)CCCN2C(=O)[N-]NC2=O)CCN1C(=O)C1=NSNC1=O	REAL300033364308	0	45	-1.0	-58.34	379.40	0.52	-57.82
CC1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033364524	0	43	-1.0	-56.10	367.10	-2.21	-58.31
CC(=O)[N-]C1=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)C(C)C2)=CS1	REAL300033364525	1	41	-1.0	-42.98	358.42	1.79	-41.19
CC1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033364683	1	44	-1.0	-59.05	372.84	1.94	-57.11
COC1=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C(C)C2)NC(=O)[N-]C1=O	REAL300033364792	1	42	-1.0	-50.21	360.61	-2.91	-53.12
CC1CN(C(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033364906	0	37	-1.0	-54.87	319.40	-2.26	-57.13
CC1CN(C(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)C1=NSNC1=O	REAL300033366043	0	39	-1.0	-45.77	334.79	-1.71	-47.48
CC1CN(C(=O)C2=COC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033366056	1	35	-1.0	-49.63	299.13	-0.36	-49.99
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C(C)C2)=CC1=O	REAL300033366284	0	42	-1.0	-51.01	348.07	2.16	-48.85
CC1CN(C(=O)CC2=CC(=O)N[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033366292	1	39	-1.0	-60.71	331.87	0.35	-60.36
CC1CN(C(=O)C2=CC=CC(=S)N2[O-])CCN1C(=O)C1=NSNC1=O	REAL300033366316	0	39	-1.0	-72.54	345.03	3.58	-68.96
CC1CN(C(=O)CC2SC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033366330	0	39	-1.0	-50.01	345.05	-1.12	-51.13
CC1CN(C(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033366349	0	38	-1.0	-55.25	324.86	0.10	-55.15
CC1CN(C(=O)C2=C[N-]N=CC2=O)CCN1C(=O)C1=NSNC1=O	REAL300033366464	0	37	-1.0	-41.57	312.95	1.28	-40.29
CC1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)CCN1C(=O)C1=NSNC1=O	REAL300033366504	0	41	-1.0	-61.86	344.84	1.48	-60.38
CC1CN(C(=O)C2=CC(=O)N[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033366602	0	36	-1.0	-47.14	303.93	-0.46	-47.60
CC1CN(C(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)C1=NSNC1=O	REAL300033366607	0	41	-1.0	-46.61	338.13	0.47	-46.14
CC1CN(C(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033366656	0	39	-1.0	-66.97	329.04	2.98	-63.99
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C(C)C2)C(=O)N1	REAL300033366676	0	41	-1.0	-48.39	354.20	0.78	-47.61
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C(C)C2)C(=O)[N-]1	REAL300033366676	1	41	-1.0	-48.39	354.20	0.78	-47.61
CC1SC(C(=O)N2CCN(C(=O)C3=NSNC3=O)C(C)C2)=NC1=O	REAL300033366701	0	38	-1.0	-48.38	330.33	0.30	-48.08
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C(C)C2)S1	REAL300033366701	1	38	-1.0	-48.38	330.33	0.30	-48.08
CC1CN(C(=O)C2=CC(=O)C=C(Cl)N2)CCN1C(=O)C1=NSNC1=O	REAL300033366722	0	38	-1.0	-44.88	342.22	2.91	-41.97
CC1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033366722	1	38	-1.0	-44.88	342.22	2.91	-41.97
CC1CN(C(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)C1=NSNC1=O	REAL300033366744	0	39	-1.0	-61.04	337.86	3.58	-57.46
CC1CN(C(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)C1=NSNC1=O	REAL300033366804	0	39	-1.0	-69.26	333.92	2.95	-66.31
CC1CN(C(=O)C[N-]C(=O)C(F)(F)F)CCN1C(=O)C1=NSNC1=O	REAL300033366974	0	38	-1.0	-48.61	341.36	-0.45	-49.06
CC1CN(C(=O)CC2=C([O-])N=C(N)S2)CCN1C(=O)C1=NSNC1=O	REAL300033366975	0	40	-1.0	-68.55	352.12	-1.27	-69.82
CC1CN(C(=O)CC2=NC([O-])=CS2)CCN1C(=O)C1=NSNC1=O	REAL300033367035	0	38	-1.0	-72.05	337.31	-0.40	-72.45
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C(C)C2)C(=O)[N-]1	REAL300033367060	1	43	-1.0	-47.96	353.11	1.25	-46.71
CC1CN(C(=O)CN2N=CC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033367072	0	40	-1.0	-62.07	346.81	-1.89	-63.96
CC1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)CCN1C(=O)C1=NSNC1=O	REAL300033367149	0	35	-1.0	-48.21	323.90	0.30	-47.91
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C(C)C2)C(=O)N1	REAL300033367256	0	44	-1.0	-48.82	366.04	-0.51	-49.33
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C(C)C2)C(=O)[N-]1	REAL300033367256	1	44	-1.0	-48.82	366.04	-0.51	-49.33
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C(C)C2)=N[N-]1	REAL300033367357	0	40	-1.0	-51.43	336.19	3.66	-47.77
CC1CN(C(=O)C2=NC(=O)N[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033367376	0	35	-1.0	-43.90	298.13	-1.10	-45.00
CC1CN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)CCN1C(=O)C1=NSNC1=O	REAL300033367401	0	40	-1.0	-48.21	348.66	2.12	-46.09
CC1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CCN1C(=O)C1=NSNC1=O	REAL300033367401	1	40	-1.0	-48.21	348.66	2.12	-46.09
CC1CN(C(=O)C2=CN=C(C=N[O-])S2)CCN1C(=O)C1=NSNC1=O	REAL300033367539	0	38	-1.0	-61.69	345.83	0.86	-60.83
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC=CC=C1O	REAL300033367818	0	38	-1.0	-62.93	322.21	3.21	-59.72
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300033367818	1	38	-1.0	-62.93	322.21	3.21	-59.72
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CCN1C=CNC(=O)C1=O	REAL300033367931	0	44	-1.0	-59.24	368.81	1.62	-57.62
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300033367931	1	44	-1.0	-59.24	368.81	1.62	-57.62
CC(=O)NC1=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2C)=CS1	REAL300033367941	0	41	-1.0	-42.96	358.44	1.78	-41.18
CC(=O)[N-]C1=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2C)=CS1	REAL300033367941	1	41	-1.0	-42.96	358.44	1.78	-41.18
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300033367966	0	37	-1.0	-53.71	316.51	-2.91	-56.62
COC1=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2C)NC(=O)[N-]C1=O	REAL300033368013	1	42	-1.0	-50.90	362.39	-2.51	-53.41
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300033368157	0	39	-1.0	-57.03	336.92	-0.70	-57.73
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CCCN1C(=O)[N-]NC1=O	REAL300033368987	0	45	-1.0	-58.19	379.44	0.54	-57.65
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300033369169	1	44	-1.0	-51.20	361.30	2.10	-49.10
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300033369855	0	43	-1.0	-55.98	367.13	-2.18	-58.16
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300033369863	0	41	-1.0	-54.51	353.34	4.70	-49.81
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300033369877	1	39	-1.0	-58.06	336.59	4.24	-53.82
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300033369906	1	40	-1.0	-44.27	342.33	2.90	-41.37
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(N)C(Cl)=C1[O-]	REAL300033369927	0	41	-1.0	-64.29	348.43	2.21	-62.08
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=CC([O-])=C1	REAL300033371096	1	38	-1.0	-55.20	321.25	0.83	-54.37
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300033371108	0	39	-1.0	-62.46	337.49	4.03	-58.43
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300033371247	1	41	-1.0	-47.91	350.19	1.03	-46.88
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300033371251	0	38	-1.0	-44.16	338.90	2.44	-41.72
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300033371308	1	39	-1.0	-50.77	341.36	3.39	-47.38
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300033371310	0	42	-1.0	-55.90	353.63	2.01	-53.89
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1=NC([O-])=CS1	REAL300033371319	0	38	-1.0	-71.43	333.60	-0.66	-72.09
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300033371339	0	41	-1.0	-57.84	353.02	0.27	-57.57
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300033371341	0	39	-1.0	-61.04	332.72	4.04	-57.00
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300033371452	0	39	-1.0	-50.38	344.65	-1.15	-51.53
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300033371479	0	39	-1.0	-54.97	332.62	2.68	-52.29
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300033371482	1	40	-1.0	-40.15	342.40	1.10	-39.05
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300033371487	0	39	-1.0	-62.09	335.89	4.26	-57.83
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2C)=N[N-]1	REAL300033371519	0	40	-1.0	-51.03	333.67	2.96	-48.07
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300033371524	0	44	-1.0	-67.70	368.16	3.32	-64.38
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300033371551	0	39	-1.0	-59.71	326.38	3.38	-56.33
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300033371583	0	39	-1.0	-51.28	347.78	1.31	-49.97
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300033371584	0	41	-1.0	-54.99	354.07	-4.56	-59.55
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300033371584	1	41	-1.0	-49.64	358.07	-4.02	-53.66
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300033371612	0	41	-1.0	-45.04	347.84	3.85	-41.19
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300033371651	0	38	-1.0	-54.78	321.14	-0.19	-54.97
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300033371681	0	41	-1.0	-49.83	355.22	0.73	-49.10
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300033371720	0	40	-1.0	-54.13	340.72	4.14	-49.99
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300033371830	0	39	-1.0	-51.83	343.18	0.99	-50.84
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300033371885	1	39	-1.0	-49.37	331.51	2.89	-46.48
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300033371893	1	44	-1.0	-72.17	360.73	4.21	-67.96
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300033371896	0	41	-1.0	-58.05	354.45	4.63	-53.42
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300033371899	0	41	-1.0	-49.68	348.07	4.40	-45.28
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300033371909	1	39	-1.0	-60.76	343.01	4.48	-56.28
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300033371923	0	41	-1.0	-43.90	349.67	3.18	-40.72
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300033371988	0	37	-1.0	-43.25	322.25	-1.72	-44.97
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300033371988	1	37	-1.0	-43.25	322.25	-1.72	-44.97
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300033372014	0	41	-1.0	-64.70	343.47	1.60	-63.10
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C(O)C2=CC=CC=C2C=N1	REAL300033372050	0	44	-1.0	-68.00	365.43	5.88	-62.12
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300033372050	1	44	-1.0	-68.00	365.43	5.88	-62.12
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300033372051	0	35	-1.0	-49.25	323.57	0.37	-48.88
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(N)NC1=O	REAL300033372068	0	39	-1.0	-50.48	323.44	-0.15	-50.63
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300033372068	1	39	-1.0	-50.48	323.44	-0.15	-50.63
CC1=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2C)[N-]C(=O)C(C#N)=C1	REAL300033372096	0	42	-1.0	-50.43	362.18	1.61	-48.82
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300033372167	0	40	-1.0	-52.69	352.53	2.54	-50.15
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300033372167	1	40	-1.0	-52.69	352.53	2.54	-50.15
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300033372175	0	41	-1.0	-53.19	352.70	1.57	-51.62
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300033372183	0	38	-1.0	-59.35	336.41	4.12	-55.23
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1=CC=C(O)C(Cl)=C1	REAL300033372189	0	42	-1.0	-64.87	368.89	4.49	-60.38
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300033372189	1	42	-1.0	-64.87	368.89	4.49	-60.38
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300033372239	0	35	-1.0	-51.98	298.68	-0.38	-52.36
CC1SC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2C)=NC1=O	REAL300033372269	0	38	-1.0	-49.11	334.97	0.70	-48.41
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2C)S1	REAL300033372269	1	38	-1.0	-49.11	334.97	0.70	-48.41
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C(O)C2=CC=CC=C2C=C1	REAL300033372332	0	45	-1.0	-66.07	364.88	6.06	-60.01
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300033372332	1	45	-1.0	-66.07	364.88	6.06	-60.01
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC2=CC=CC=C2C=C1O	REAL300033372340	0	45	-1.0	-69.61	365.99	5.99	-63.62
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300033372340	1	45	-1.0	-69.61	365.99	5.99	-63.62
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C(=O)C1=CC=C(O)C=C1	REAL300033372381	0	41	-1.0	-52.82	341.44	2.64	-50.18
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300033372381	1	41	-1.0	-52.82	341.44	2.64	-50.18
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300033372410	0	38	-1.0	-62.82	339.34	0.70	-62.12
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)C=C(Cl)N1	REAL300033372439	0	38	-1.0	-44.91	342.00	2.95	-41.96
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300033372439	1	38	-1.0	-44.91	342.00	2.95	-41.96
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2C)C(=O)N1	REAL300033372463	0	41	-1.0	-50.73	351.39	1.01	-49.72
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2C)C(=O)[N-]1	REAL300033372463	1	41	-1.0	-50.73	351.39	1.01	-49.72
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300033372470	0	39	-1.0	-46.38	330.93	-1.72	-48.10
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2C)=CC1=O	REAL300033372544	0	42	-1.0	-51.91	352.50	2.60	-49.31
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300033372561	0	39	-1.0	-50.78	330.63	1.64	-49.14
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300033372576	0	39	-1.0	-54.56	344.16	-0.70	-55.26
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1=CC(=O)NN1	REAL300033372716	0	39	-1.0	-60.27	327.84	0.04	-60.23
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1=CC(=O)N[N-]1	REAL300033372716	1	39	-1.0	-60.27	327.84	0.04	-60.23
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(O)C(F)=C1	REAL300033372722	0	39	-1.0	-52.15	331.46	2.92	-49.23
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300033372722	1	39	-1.0	-52.15	331.46	2.92	-49.23
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300033372773	0	39	-1.0	-52.95	333.85	2.70	-50.25
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300033372778	0	38	-1.0	-57.86	334.38	1.88	-55.98
CC1=CN=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2C)C(O)=C1	REAL300033372839	0	41	-1.0	-63.40	337.32	3.76	-59.64
CC1=CN=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2C)C([O-])=C1	REAL300033372839	1	41	-1.0	-63.40	337.32	3.76	-59.64
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CS1	REAL300033372867	0	36	-1.0	-58.74	313.64	1.51	-57.23
CC1CN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300033372885	0	39	-1.0	-64.55	330.76	3.16	-61.39
CC1(NC(=O)C2=NNC(=O)[N-]C2=O)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033374800	0	40	-1.0	-71.53	338.95	-3.20	-74.73
CC1(NC(=O)CN2C(=O)[N-]NC2=O)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033374869	0	42	-1.0	-74.24	352.90	-1.41	-75.65
CC1(NC(=O)C2=CN([O-])C(=O)C=C2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033375363	0	42	-1.0	-82.24	350.02	3.07	-79.17
CC1(NC(=O)C2=CC(=O)NC([O-])=C2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033375458	0	42	-1.0	-63.76	350.76	-1.80	-65.56
CC1(NC(=O)C2=COC(=O)[N-]2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033375469	1	38	-1.0	-63.70	322.81	-1.96	-65.66
CCN1[N-]C(C(=O)NC2(C)CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033375617	0	45	-1.0	-72.07	372.21	1.67	-70.40
CC1(NC(=O)CC2=CC(=O)N[N-]2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033375624	1	42	-1.0	-74.95	348.06	-0.38	-75.33
CC1(NC(=O)C2=CC=CC(=S)N2[O-])CCCN(C(=O)C2=NSNC2=O)C1	REAL300033375639	0	42	-1.0	-107.80	358.64	4.96	-102.84
CC1(NC(=O)CC2SC(=O)[N-]C2=O)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033375648	0	42	-1.0	-65.69	361.45	-1.82	-67.51
CN1N=C(C(=O)NC2(C)CCCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033375661	0	41	-1.0	-72.97	344.72	-0.80	-73.77
CC1(NC(=O)C2=C[N-]N=CC2=O)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033375740	0	40	-1.0	-54.64	331.61	1.15	-53.49
CC1(NC(=O)C2=CC(=O)N[N-]2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033375825	0	39	-1.0	-64.96	327.39	-1.00	-65.96
CC1(NC(=O)C(=O)[PH](C)(C)[O-])CCCN(C(=O)C2=NSNC2=O)C1	REAL300033375829	0	44	-1.0	-62.14	361.56	0.48	-61.66
CC1(NC(=O)C2=CC=CN([O-])C2=O)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033375859	0	42	-1.0	-70.58	347.94	3.25	-67.33
CC1SC(C(=O)NC2(C)CCCN(C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300033375884	0	41	-1.0	-64.87	354.16	-0.89	-65.76
CC1=C([O-])N=C(C(=O)NC2(C)CCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300033375884	1	41	-1.0	-64.87	354.16	-0.89	-65.76
CC1(NC(=O)C2=CC(=O)C=C(Cl)N2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033375896	0	41	-1.0	-64.15	357.81	2.32	-61.83
CC1(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033375896	1	41	-1.0	-64.15	357.81	2.32	-61.83
CC1(NC(=O)C2=CC(=O)N([O-])C=C2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033375908	0	42	-1.0	-83.35	350.67	3.10	-80.25
CC1(NC(=O)C2=CC=CC(=O)N2[O-])CCCN(C(=O)C2=NSNC2=O)C1	REAL300033375937	0	42	-1.0	-104.35	347.53	3.92	-100.43
CC1(NC(=O)C[N-]C(=O)C(F)(F)F)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033376040	0	41	-1.0	-64.88	357.58	-1.11	-65.99
CC1(NC(=O)CC2=C([O-])N=C(N)S2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033376041	0	43	-1.0	-93.83	369.00	-1.93	-95.76
CC1(NC(=O)CC2=NC([O-])=CS2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033376079	0	41	-1.0	-81.36	353.91	-1.09	-82.45
CCC1=NC=C(C(=O)NC2(C)CCCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033376093	1	46	-1.0	-62.76	372.81	1.52	-61.24
CC1(NC(=O)CN2N=CC(=O)[N-]C2=O)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033376102	0	43	-1.0	-72.45	363.40	-2.52	-74.97
CC1=CC(=O)C(C(=O)NC2(C)CCCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033376278	0	43	-1.0	-73.16	356.41	2.69	-70.47
CC1(NC(=O)C2=NC(=O)N[N-]2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033376291	0	38	-1.0	-65.76	322.26	-2.26	-68.02
CC1(NC(=O)C2=CN=C(C=N[O-])S2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033376379	0	41	-1.0	-74.81	363.03	0.62	-74.19
COC1=NC(C(=O)NC2(C)CCCN(C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300033376391	0	44	-1.0	-70.66	368.12	-2.99	-73.65
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300033376643	1	41	-1.0	-66.02	338.98	2.71	-63.31
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300033376766	0	40	-1.0	-64.45	339.03	-3.26	-67.71
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300033376926	0	42	-1.0	-65.90	356.03	-1.77	-67.67
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300033378245	1	42	-1.0	-67.11	364.11	2.72	-64.39
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300033378270	1	43	-1.0	-59.55	366.98	2.19	-57.36
CCC1=NC=C(C(=O)N2CCCC(C)(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033378353	1	46	-1.0	-68.03	381.60	0.73	-67.30
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300033378371	1	38	-1.0	-52.57	322.14	-0.99	-53.56
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300033378438	0	41	-1.0	-58.44	360.56	-1.46	-59.90
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300033378439	0	43	-1.0	-80.06	371.74	-2.26	-82.32
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300033378448	0	42	-1.0	-55.83	364.18	2.13	-53.70
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300033378463	1	42	-1.0	-60.72	353.87	1.94	-58.78
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300033378469	0	41	-1.0	-56.18	349.65	1.33	-54.85
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300033378476	1	43	-1.0	-66.30	366.28	2.25	-64.05
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300033378479	0	41	-1.0	-63.79	358.91	0.80	-62.99
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300033378495	0	43	-1.0	-69.28	366.46	-2.89	-72.17
CC1=CC=C([O-])C(C(=O)N2CCCC(C)(NC(=O)C3=NSNC3=O)C2)=N1	REAL300033378555	1	44	-1.0	-73.67	363.67	2.59	-71.08
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300033378573	0	40	-1.0	-58.90	340.52	0.41	-58.49
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300033378582	0	42	-1.0	-74.94	353.60	2.29	-72.65
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300033378668	1	42	-1.0	-71.19	353.87	1.95	-69.24
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300033378766	0	39	-1.0	-57.63	327.40	-1.05	-58.68
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300033378772	0	44	-1.0	-58.16	361.80	0.30	-57.86
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300033378859	0	42	-1.0	-67.20	358.27	2.60	-64.60
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=NNC(=O)[N-]2)C1	REAL300033378883	0	38	-1.0	-61.46	321.85	-2.58	-64.04
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=C(O)C=CC=C2Cl)C1	REAL300033378886	0	42	-1.0	-67.27	367.07	2.52	-64.75
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300033378886	1	42	-1.0	-67.27	367.07	2.52	-64.75
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300033378890	0	42	-1.0	-76.01	357.01	2.58	-73.43
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300033378919	0	42	-1.0	-64.12	364.03	2.09	-62.03
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300033378919	1	42	-1.0	-64.12	364.03	2.09	-62.03
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1	REAL300033379002	0	42	-1.0	-66.62	355.37	-2.32	-68.94
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300033379049	0	42	-1.0	-57.91	363.89	2.46	-55.45
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300033379054	1	42	-1.0	-66.54	353.79	2.28	-64.26
CC1=CC=NC(C(=O)N2CCCC(C)(NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300033379117	1	44	-1.0	-72.47	362.35	2.72	-69.75
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300033379221	1	41	-1.0	-62.07	342.70	0.00	-62.07
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300033379231	0	42	-1.0	-70.23	360.94	3.32	-66.91
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300033379338	0	41	-1.0	-51.46	357.93	1.40	-50.06
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300033379376	1	42	-1.0	-58.11	362.71	2.39	-55.72
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300033379387	0	41	-1.0	-78.62	356.98	-1.42	-80.04
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300033379402	0	42	-1.0	-62.93	357.58	2.12	-60.81
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300033379404	0	44	-1.0	-67.15	372.22	-0.78	-67.93
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300033379405	0	42	-1.0	-69.53	353.63	2.33	-67.20
CC1=CC=C(F)C([O-])=C1C(=O)N1CCCC(C)(NC(=O)C2=NSNC2=O)C1	REAL300033379435	0	45	-1.0	-65.61	377.10	2.67	-62.94
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300033379497	0	42	-1.0	-45.43	366.19	-1.96	-47.39
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300033379522	0	42	-1.0	-68.20	359.51	2.03	-66.17
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300033379528	0	42	-1.0	-69.45	363.41	2.77	-66.68
CC1=CC(=O)C(C(=O)N2CCCC(C)(NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033379556	0	43	-1.0	-63.28	357.32	2.41	-60.87
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300033379581	0	42	-1.0	-68.58	349.84	2.68	-65.90
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300033379609	0	42	-1.0	-64.40	366.53	0.25	-64.15
CN1N=C(C(=O)N2CCCC(C)(NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033379655	0	41	-1.0	-64.67	344.58	-0.90	-65.57
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300033379704	0	43	-1.0	-70.51	368.40	0.17	-70.34
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300033379704	1	43	-1.0	-70.51	368.40	0.17	-70.34
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300033379713	0	43	-1.0	-62.82	369.21	2.69	-60.13
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300033379796	0	42	-1.0	-58.41	362.39	-0.03	-58.44
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300033379847	0	42	-1.0	-68.21	354.12	1.95	-66.26
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300033379847	1	42	-1.0	-68.21	354.12	1.95	-66.26
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=C(Cl)C=C2O)C1	REAL300033379865	0	42	-1.0	-69.30	363.94	2.78	-66.52
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300033379865	1	42	-1.0	-69.30	363.94	2.78	-66.52
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300033379932	0	40	-1.0	-54.24	340.67	-3.50	-57.74
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300033379932	1	40	-1.0	-52.09	341.49	-2.79	-54.88
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300033379986	1	42	-1.0	-57.54	347.88	-1.01	-58.55
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300033380019	0	42	-1.0	-70.45	360.10	2.00	-68.45
COC1=NC(C(=O)N2CCCC(C)(NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300033380061	0	44	-1.0	-61.56	370.01	-2.67	-64.23
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300033380070	0	41	-1.0	-68.40	358.24	2.53	-65.87
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300033380108	0	42	-1.0	-64.22	363.91	2.44	-61.78
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300033380117	0	41	-1.0	-69.59	342.49	0.24	-69.35
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300033380123	0	38	-1.0	-60.48	322.08	-1.12	-61.60
CC1=C([O-])N=C(C(=O)N2CCCC(C)(NC(=O)C3=NSNC3=O)C2)S1	REAL300033380145	1	41	-1.0	-56.78	354.12	-0.29	-57.07
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300033380237	1	44	-1.0	-59.34	373.60	1.92	-57.42
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300033380256	0	41	-1.0	-68.59	363.61	-0.05	-68.64
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300033380277	1	41	-1.0	-53.80	359.52	2.31	-51.49
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300033380297	0	42	-1.0	-54.11	358.37	-2.30	-56.41
CCN1[N-]C(C(=O)N2CCCC(C)(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033380354	0	45	-1.0	-61.04	371.55	1.55	-59.49
CN1[N-]C(C(=O)N2CCCC(C)(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033380373	0	42	-1.0	-60.24	349.87	0.63	-59.61
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300033380383	0	42	-1.0	-60.78	367.42	-1.42	-62.20
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300033380510	1	42	-1.0	-69.93	351.11	-0.67	-70.60
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300033380515	1	42	-1.0	-68.80	352.31	1.92	-66.88
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300033380561	0	42	-1.0	-68.52	358.50	1.99	-66.53
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300033380566	0	41	-1.0	-66.52	359.73	0.77	-65.75
CC1=C(CC(=O)N2CCCC(C)(NC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300033380581	0	48	-1.0	-72.59	394.67	1.77	-70.82
CC1=CN=C(C(=O)N2CCCC(C)(NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300033380617	1	44	-1.0	-74.31	363.52	2.65	-71.66
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CC([O-])=CS2)C1	REAL300033380638	0	39	-1.0	-67.02	337.62	0.81	-66.21
CC1(NC(=O)C2=NSNC2=O)CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300033380654	0	42	-1.0	-69.65	355.97	2.54	-67.11
CN1[N-]C(C(=O)NC2(C)CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033380792	0	42	-1.0	-68.24	350.13	0.71	-67.53
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033380799	0	42	-1.0	-67.18	364.56	-1.14	-68.32
CC1(NC(=O)C2=NC(=O)[N-]C(=O)N2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033380923	0	40	-1.0	-61.89	340.52	-4.06	-65.95
CC1(NC(=O)C2=NC(=O)NC(=O)[N-]2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033380923	1	40	-1.0	-62.72	341.35	-3.27	-65.99
CC1(NC(=O)CN2[N-]C(=O)C=CC2=O)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033381043	0	44	-1.0	-75.96	369.17	-0.42	-76.38
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033381049	0	38	-1.0	-67.59	322.12	-0.51	-68.10
CC1(NC(=O)C2=CN([O-])C(=O)NC2=O)CCCN(C(=O)C2=NSNC2=O)C1	REAL300033381058	0	42	-1.0	-62.68	352.85	0.72	-61.96
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300033382159	0	37	-1.0	-70.82	334.15	-3.71	-74.53
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1	REAL300033382233	0	39	-1.0	-77.30	348.52	-1.99	-79.29
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)C=C1	REAL300033382763	0	39	-1.0	-85.74	345.41	2.48	-83.26
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)NC([O-])=C1	REAL300033382869	0	39	-1.0	-62.53	345.65	-2.46	-64.99
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=COC(=O)[N-]1	REAL300033382880	1	35	-1.0	-60.48	317.73	-2.61	-63.09
O=C([N-][C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1)C(F)(F)C(F)(F)F	REAL300033382964	0	34	-1.0	-58.26	320.90	0.71	-57.55
CCN1[N-]C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033383041	0	42	-1.0	-67.18	367.86	0.94	-66.24
O=C(CC1=CC(=O)N[N-]1)N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1	REAL300033383048	1	39	-1.0	-77.62	343.21	-1.01	-78.63
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=S)N1[O-]	REAL300033383061	0	39	-1.0	-82.70	353.89	4.48	-78.22
CN1N=C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033383084	0	38	-1.0	-70.98	339.80	-1.43	-72.41
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=C[N-]N=CC1=O	REAL300033383164	0	37	-1.0	-54.50	326.77	0.54	-53.96
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300033383249	0	36	-1.0	-63.35	323.31	-1.71	-65.06
C[PH](C)([O-])C(=O)C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1	REAL300033383254	0	41	-1.0	-62.56	355.46	-0.31	-62.87
O=C(CCC1=NC(=O)NN1)N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1	REAL300033383279	0	41	-1.0	-72.00	358.47	-1.97	-73.97
O=C(CCC1=NC(=O)[N-]N1)N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1	REAL300033383279	1	41	-1.0	-72.00	358.47	-1.97	-73.97
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=CC=CN([O-])C1=O	REAL300033383282	0	39	-1.0	-68.21	342.79	2.61	-65.60
CC1SC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300033383307	0	38	-1.0	-65.47	349.32	-1.52	-66.99
CC1=C([O-])N=C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=NSNC3=O)C2)S1	REAL300033383307	1	38	-1.0	-65.47	349.32	-1.52	-66.99
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N([O-])C=C1	REAL300033383336	0	39	-1.0	-83.45	345.57	2.44	-81.01
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300033383366	0	39	-1.0	-77.81	342.78	3.45	-74.36
O=C(C[N-]C(=O)C(F)(F)F)N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1	REAL300033383477	0	38	-1.0	-64.87	352.70	-1.75	-66.62
O=C(CC1=NC([O-])=CS1)N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1	REAL300033383520	0	38	-1.0	-89.61	349.07	-1.72	-91.33
CC1=CC(=O)C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033383733	0	40	-1.0	-71.38	351.53	2.18	-69.20
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)N[N-]1	REAL300033383746	0	35	-1.0	-61.51	317.14	-2.92	-64.43
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300033384113	1	38	-1.0	-80.19	337.20	1.50	-78.69
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300033384230	0	37	-1.0	-76.47	338.38	-5.24	-81.71
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H](F)C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033384371	0	39	-1.0	-77.21	351.32	-2.25	-79.46
N#CC1=CC([O-])=CC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)=C1	REAL300033385575	1	40	-1.0	-71.27	363.41	1.74	-69.53
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=COC(=O)[N-]2)C1)C1=NSNC1=O	REAL300033385667	1	35	-1.0	-60.34	317.64	-1.51	-61.85
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H](F)C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033385730	0	38	-1.0	-66.92	355.72	-1.96	-68.88
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=NSNC1=O	REAL300033385751	1	39	-1.0	-71.92	348.83	1.45	-70.47
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=NSNC1=O	REAL300033385757	0	38	-1.0	-64.83	345.01	0.85	-63.98
N#CC1=CC=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)C=C1[O-]	REAL300033385762	1	40	-1.0	-61.65	363.28	1.81	-59.84
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@@H](F)C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033385779	0	40	-1.0	-82.74	361.64	-3.38	-86.12
CC1=CC=C([O-])C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)=N1	REAL300033385834	1	41	-1.0	-77.64	356.28	2.64	-75.00
O=C(CCC1=NNC(=O)[N-]1)N1C[C@@H](F)C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033385835	0	41	-1.0	-68.96	361.65	-1.58	-70.54
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=C[N-]N=CC2=O)C1)C1=NSNC1=O	REAL300033385849	0	37	-1.0	-70.09	336.06	-0.06	-70.15
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=NSNC1=O	REAL300033385857	0	39	-1.0	-93.12	348.79	1.79	-91.33
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=NSNC1=O	REAL300033385938	1	39	-1.0	-86.97	349.05	1.46	-85.51
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300033386028	0	36	-1.0	-65.13	322.31	-1.58	-66.71
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033386034	0	41	-1.0	-67.15	361.66	-0.64	-67.79
CN1[N-]C(CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033386039	0	42	-1.0	-80.60	369.03	0.55	-80.05
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=NSNC1=O	REAL300033386114	0	39	-1.0	-79.86	353.50	2.10	-77.76
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300033386136	0	35	-1.0	-62.03	317.05	-2.20	-64.23
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=NSNC1=O	REAL300033386141	0	39	-1.0	-98.21	352.36	2.06	-96.15
NC1=CC(=O)[N-]C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)=N1	REAL300033386241	0	39	-1.0	-75.54	346.99	-2.02	-77.56
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=NSNC1=O	REAL300033386286	1	39	-1.0	-81.87	348.97	1.79	-80.08
CC1=CC=NC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300033386345	1	41	-1.0	-76.60	355.01	2.74	-73.86
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CN=CC([O-])=C2)C1)C1=NSNC1=O	REAL300033386435	1	38	-1.0	-63.17	337.96	-0.38	-63.55
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=NSNC1=O	REAL300033386443	0	39	-1.0	-103.41	363.22	2.48	-100.93
O=C(CC1=NC([O-])=CS1)N1C[C@@H](F)C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033386582	0	38	-1.0	-90.83	352.11	-1.89	-92.72
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=NSNC1=O	REAL300033386597	0	39	-1.0	-79.86	352.80	1.65	-78.21
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@@H](F)C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033386598	0	41	-1.0	-76.07	367.40	-1.28	-77.35
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=NSNC1=O	REAL300033386599	0	39	-1.0	-86.63	348.66	1.87	-84.76
CC1=CC=C(F)C([O-])=C1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033386629	0	42	-1.0	-86.01	372.30	2.21	-83.80
CC1=CC(=O)C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033386735	0	40	-1.0	-72.38	352.48	1.91	-70.47
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=NSNC1=O	REAL300033386756	0	39	-1.0	-99.89	352.12	1.86	-98.03
N#CC1=CC=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033386779	0	39	-1.0	-76.08	361.84	-0.23	-76.31
CN1N=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033386817	0	38	-1.0	-73.37	340.03	-1.37	-74.74
N#CC1=CC=C([O-])C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)=C1	REAL300033386868	0	40	-1.0	-78.08	363.40	2.15	-75.93
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=NSNC1=O	REAL300033386994	1	39	-1.0	-82.64	348.68	1.41	-81.23
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300033387067	0	37	-1.0	-62.88	340.17	-4.50	-67.38
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300033387067	1	37	-1.0	-62.88	340.17	-4.50	-67.38
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NSNC1=O	REAL300033387236	0	35	-1.0	-69.12	317.26	-1.59	-70.71
CC1SC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)=NC1=O	REAL300033387255	0	38	-1.0	-65.92	349.32	-0.80	-66.72
CC1=C([O-])N=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300033387255	1	38	-1.0	-65.92	349.32	-0.80	-66.72
O=C(N[C@H]1C[C@H](F)CN(C(=O)C(=O)C2=CC=C(O)C=C2)C1)C1=NSNC1=O	REAL300033387340	0	41	-1.0	-65.96	368.81	1.40	-64.56
O=C(N[C@H]1C[C@H](F)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=NSNC1=O	REAL300033387340	1	41	-1.0	-65.96	368.81	1.40	-64.56
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=NSNC1=O	REAL300033387389	0	39	-1.0	-63.80	353.53	-2.80	-66.60
CCN1[N-]C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033387442	0	42	-1.0	-68.98	366.86	1.05	-67.93
CN1[N-]C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033387459	0	39	-1.0	-68.40	345.25	0.14	-68.26
O=C(CC1=CC(=O)NN1)N1C[C@@H](F)C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033387577	0	39	-1.0	-78.20	346.28	-1.18	-79.38
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H](F)C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033387577	1	39	-1.0	-78.20	346.28	-1.18	-79.38
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=C(O)C(F)=C2)C1)C1=NSNC1=O	REAL300033387582	0	39	-1.0	-72.50	348.68	1.44	-71.06
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300033387582	1	39	-1.0	-72.50	348.68	1.44	-71.06
CC1=CN=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)C(O)=C1	REAL300033387670	0	41	-1.0	-86.90	358.65	2.14	-84.76
CC1=CN=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300033387670	1	41	-1.0	-86.90	358.65	2.14	-84.76
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC([O-])=CS2)C1)C1=NSNC1=O	REAL300033387687	0	36	-1.0	-78.45	332.81	0.32	-78.13
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=NSNC1=O	REAL300033387702	0	39	-1.0	-73.04	352.59	2.07	-70.97
CN1[N-]C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033387841	0	39	-1.0	-66.26	346.05	0.00	-66.26
O=C([N-][C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1)C(F)(F)C(F)F	REAL300033387924	1	34	-1.0	-57.32	315.62	0.53	-56.79
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)[N-]C(=O)N1	REAL300033387979	0	37	-1.0	-61.99	336.43	-4.76	-66.75
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)NC(=O)[N-]1	REAL300033387979	1	37	-1.0	-59.01	336.32	-3.93	-62.94
O=C(CN1[N-]C(=O)C=CC1=O)N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1	REAL300033388106	0	41	-1.0	-59.51	364.62	-1.03	-60.54
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300033388113	0	35	-1.0	-66.95	317.29	-1.14	-68.09
O=C(NCCC1(O)CN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300033389277	0	38	-1.0	-60.35	350.58	-7.19	-67.54
O=C(CN1C(=O)[N-]NC1=O)NCCC1(O)CN(C(=O)C2=NSNC2=O)C1	REAL300033389360	0	40	-1.0	-61.18	364.69	-5.53	-66.71
O=C(NCCC1(O)CN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)C=C1	REAL300033389930	0	40	-1.0	-75.42	361.65	-1.06	-76.48
O=C(NCCC1(O)CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)NC([O-])=C1	REAL300033390044	0	40	-1.0	-55.44	362.12	-5.96	-61.40
O=C(NCCC1(O)CN(C(=O)C2=NSNC2=O)C1)C1=COC(=O)[N-]1	REAL300033390055	1	36	-1.0	-54.80	334.33	-6.19	-60.99
O=C([N-]CCC1(O)CN(C(=O)C2=NSNC2=O)C1)C(F)(F)C(F)(F)F	REAL300033390142	1	35	-1.0	-43.85	340.46	-2.83	-46.68
CCN1[N-]C(C(=O)NCCC2(O)CN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033390221	0	43	-1.0	-58.36	383.70	-2.57	-60.93
O=C(CC1=CC(=O)N[N-]1)NCCC1(O)CN(C(=O)C2=NSNC2=O)C1	REAL300033390228	1	40	-1.0	-64.58	359.68	-4.49	-69.07
O=C(NCCC1(O)CN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=S)N1[O-]	REAL300033390243	0	40	-1.0	-92.37	370.35	0.91	-91.46
CN1N=C(C(=O)NCCC2(O)CN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033390266	0	39	-1.0	-61.84	356.48	-5.00	-66.84
O=C(NCCC1(O)CN(C(=O)C2=NSNC2=O)C1)C1=C[N-]N=CC1=O	REAL300033390353	0	38	-1.0	-45.63	343.24	-2.96	-48.59
O=C(NCCC1(O)CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300033390445	0	37	-1.0	-55.20	339.16	-5.21	-60.41
C[PH](C)([O-])C(=O)C(=O)NCCC1(O)CN(C(=O)C2=NSNC2=O)C1	REAL300033390450	0	42	-1.0	-56.26	371.71	-3.79	-60.05
O=C(CCC1=NC(=O)NN1)NCCC1(O)CN(C(=O)C2=NSNC2=O)C1	REAL300033390475	0	42	-1.0	-67.59	374.94	-5.44	-73.03
O=C(CCC1=NC(=O)[N-]N1)NCCC1(O)CN(C(=O)C2=NSNC2=O)C1	REAL300033390475	1	42	-1.0	-67.59	374.94	-5.44	-73.03
O=C(NCCC1(O)CN(C(=O)C2=NSNC2=O)C1)C1=CC=CN([O-])C1=O	REAL300033390479	0	40	-1.0	-63.23	359.25	-0.88	-64.11
CC1SC(C(=O)NCCC2(O)CN(C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300033390507	0	39	-1.0	-61.04	365.56	-5.00	-66.04
CC1=C([O-])N=C(C(=O)NCCC2(O)CN(C(=O)C3=NSNC3=O)C2)S1	REAL300033390507	1	39	-1.0	-61.04	365.56	-5.00	-66.04
O=C(NCCC1(O)CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)N1	REAL300033390520	0	39	-1.0	-51.84	369.17	-1.83	-53.67
O=C(NCCC1(O)CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300033390520	1	39	-1.0	-51.84	369.17	-1.83	-53.67
O=C(NCCC1(O)CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N([O-])C=C1	REAL300033390537	0	40	-1.0	-76.48	362.17	-1.14	-77.62
O=C(NCCC1(O)CN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300033390568	0	40	-1.0	-87.65	359.24	-0.13	-87.78
O=C(CC1=NC([O-])=CS1)NCCC1(O)CN(C(=O)C2=NSNC2=O)C1	REAL300033390728	0	39	-1.0	-75.45	365.53	-5.21	-80.66
CCC1=NC=C(C(=O)NCCC2(O)CN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300033390746	0	44	-1.0	-50.33	384.15	-2.60	-52.93
CCC1=NC=C(C(=O)NCCC2(O)CN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033390746	1	44	-1.0	-50.33	384.15	-2.60	-52.93
CC1=CC(=O)C(C(=O)NCCC2(O)CN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033390950	0	41	-1.0	-56.29	367.74	-1.33	-57.62
O=C(NCCC1(O)CN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)N[N-]1	REAL300033390963	0	36	-1.0	-54.76	333.75	-6.49	-61.25
O=C(NCCC1(O)CN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300033391070	0	39	-1.0	-71.56	374.54	-3.61	-75.17
COC1=NC(C(=O)NCCC2(O)CN(C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300033391082	0	42	-1.0	-60.97	379.88	-7.19	-68.16
O=C(NCCC1(O)CN(C(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300033391338	1	39	-1.0	-73.21	350.82	-1.56	-74.77
O=C(NCCC1(O)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300033391459	0	38	-1.0	-65.47	350.43	-7.22	-72.69
O=C(CN1C(=O)[N-]NC1=O)N1CC(O)(CCNC(=O)C2=NSNC2=O)C1	REAL300033391614	0	40	-1.0	-65.46	367.12	-5.62	-71.08
O=C(NCCC1(O)CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=NSNC1=O	REAL300033392878	1	40	-1.0	-71.92	370.90	-0.04	-71.96
N#CC1=CC([O-])=CC(C(=O)N2CC(O)(CCNC(=O)C3=NSNC3=O)C2)=C1	REAL300033392902	1	41	-1.0	-57.86	374.87	-1.79	-59.65
CCC1=NC=C(C(=O)N2CC(O)(CCNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033392982	1	44	-1.0	-65.32	392.86	-3.07	-68.39
O=C(NCCC1(O)CN(C(=O)C2=COC(=O)[N-]2)C1)C1=NSNC1=O	REAL300033393000	1	36	-1.0	-60.93	334.32	-5.72	-66.65
O=C(C[N-]C(=O)C(F)(F)F)N1CC(O)(CCNC(=O)C2=NSNC2=O)C1	REAL300033393064	0	39	-1.0	-59.77	371.57	-5.33	-65.10
O=C(NCCC1(O)CN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=NSNC1=O	REAL300033393085	1	40	-1.0	-64.98	360.97	-2.00	-66.98
O=C(NCCC1(O)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=NSNC1=O	REAL300033393091	0	39	-1.0	-61.71	358.95	-2.65	-64.36
N#CC1=CC=C(C(=O)N2CC(O)(CCNC(=O)C3=NSNC3=O)C2)C=C1[O-]	REAL300033393097	1	41	-1.0	-60.29	374.37	-1.69	-61.98
O=C(NCCC1(O)CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=NSNC1=O	REAL300033393100	0	39	-1.0	-67.86	364.02	-1.88	-69.74
O=C(CN1N=CC(=O)[N-]C1=O)N1CC(O)(CCNC(=O)C2=NSNC2=O)C1	REAL300033393115	0	41	-1.0	-68.06	377.48	-6.73	-74.79
CC1=CC=C([O-])C(C(=O)N2CC(O)(CCNC(=O)C3=NSNC3=O)C2)=N1	REAL300033393175	1	42	-1.0	-74.61	372.22	-1.02	-75.63
O=C(CCC1=NC(=O)[N-]N1)N1CC(O)(CCNC(=O)C2=NSNC2=O)C1	REAL300033393176	1	42	-1.0	-69.27	377.38	-5.52	-74.79
O=C(NCCC1(O)CN(C(=O)C2=C[N-]N=CC2=O)C1)C1=NSNC1=O	REAL300033393192	0	38	-1.0	-63.42	342.44	-2.45	-65.87
O=C(NCCC1(O)CN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=NSNC1=O	REAL300033393201	0	40	-1.0	-80.15	360.53	-0.48	-80.63
O=C(NCCC1(O)CN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=NSNC1=O	REAL300033393286	1	40	-1.0	-77.28	360.84	-2.00	-79.28
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300033393382	0	37	-1.0	-60.96	339.15	-5.16	-66.12
C[PH](C)([O-])C(=O)C(=O)N1CC(O)(CCNC(=O)C2=NSNC2=O)C1	REAL300033393388	0	42	-1.0	-60.82	371.97	-4.01	-64.83
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=NSNC1=O	REAL300033393471	0	40	-1.0	-77.59	360.17	-1.57	-79.16
O=C(NCCC1(O)CN(C(=O)C2=NNC(=O)[N-]2)C1)C1=NSNC1=O	REAL300033393494	0	36	-1.0	-64.73	333.78	-6.62	-71.35
O=C(NCCC1(O)CN(C(=O)C2=C(O)C=CC=C2Cl)C1)C1=NSNC1=O	REAL300033393496	0	40	-1.0	-65.38	377.66	-1.34	-66.72
O=C(NCCC1(O)CN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=NSNC1=O	REAL300033393496	1	40	-1.0	-65.38	377.66	-1.34	-66.72
O=C(NCCC1(O)CN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=NSNC1=O	REAL300033393500	0	40	-1.0	-79.33	368.07	-1.29	-80.62
O=C(NCCC1(O)CN(C(=O)C2=CC(F)=CC=C2O)C1)C1=NSNC1=O	REAL300033393656	0	40	-1.0	-71.27	360.58	-0.48	-71.75
O=C(NCCC1(O)CN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=NSNC1=O	REAL300033393656	1	40	-1.0	-71.27	360.58	-0.48	-71.75
CC1=CC=NC(C(=O)N2CC(O)(CCNC(=O)C3=NSNC3=O)C2)=C1O	REAL300033393718	0	42	-1.0	-73.55	370.94	-0.93	-74.48
CC1=CC=NC(C(=O)N2CC(O)(CCNC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300033393718	1	42	-1.0	-73.55	370.94	-0.93	-74.48
O=C(NCCC1(O)CN(C(=O)C2=CN=CC(O)=C2)C1)C1=NSNC1=O	REAL300033393818	0	39	-1.0	-67.36	349.27	-3.96	-71.32
O=C(NCCC1(O)CN(C(=O)C2=CN=CC([O-])=C2)C1)C1=NSNC1=O	REAL300033393818	1	39	-1.0	-67.36	349.27	-3.96	-71.32
O=C(NCCC1(O)CN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=NSNC1=O	REAL300033393827	0	40	-1.0	-96.62	368.49	0.49	-96.13
O=C(NCCC1(O)CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=NSNC1=O	REAL300033393928	0	39	-1.0	-57.25	369.13	-2.76	-60.01
O=C(NCCC1(O)CN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=NSNC1=O	REAL300033393963	1	40	-1.0	-63.15	369.13	-1.55	-64.70
O=C(CC1=NC([O-])=CS1)N1CC(O)(CCNC(=O)C2=NSNC2=O)C1	REAL300033393974	0	39	-1.0	-76.91	367.97	-5.27	-82.18
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CC1=CN=C(C(=O)N2CCOCC(NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300033402667	1	42	-1.0	-62.56	355.35	2.18	-60.38
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CN1[N-]C(C(=O)NC2COCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033402845	0	40	-1.0	-55.69	344.94	-0.57	-56.26
O=C([N-]C1COCCN(C(=O)C2=NSNC2=O)C1)C(F)(F)C(F)F	REAL300033402937	1	35	-1.0	-40.53	314.04	-0.69	-41.22
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O=C(NC1COCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)NC(=O)[N-]1	REAL300033402996	1	38	-1.0	-45.49	336.86	-5.25	-50.74
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O=C(NC1COCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300033403139	0	36	-1.0	-54.14	317.83	-2.48	-56.62
O=C(NC1COCCN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)NC1=O	REAL300033403150	0	40	-1.0	-50.68	348.65	-1.25	-51.93
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300033404425	0	38	-1.0	-64.75	340.54	-2.54	-67.29
O=C(CN1C(=O)[N-]NC1=O)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033404516	0	40	-1.0	-64.65	357.54	-1.08	-65.73
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300033405142	0	40	-1.0	-71.99	359.86	3.29	-68.70
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300033405262	0	40	-1.0	-50.26	360.86	-1.63	-51.89
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=COC(=O)[N-]1)C2	REAL300033405273	1	36	-1.0	-51.31	325.28	-0.76	-52.07
CCN1[N-]C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300033405449	0	43	-1.0	-55.13	374.67	2.12	-53.01
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033405457	1	40	-1.0	-60.81	354.06	-0.01	-60.82
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC=CC(=S)N1[O-])C2	REAL300033405475	0	40	-1.0	-74.78	370.95	3.69	-71.09
O=C(CC1SC(=O)[N-]C1=O)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033405485	0	40	-1.0	-57.29	366.48	-1.53	-58.82
CN1N=C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)[N-]C1=O	REAL300033405501	0	39	-1.0	-58.33	347.64	-0.35	-58.68
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300033405592	0	38	-1.0	-49.32	343.77	1.14	-48.18
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300033405699	0	37	-1.0	-51.76	330.13	-0.53	-52.29
C[PH](C)([O-])C(=O)C(=O)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033405704	0	42	-1.0	-54.06	367.85	0.68	-53.38
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CC1SC(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=NC1=O	REAL300033405765	0	39	-1.0	-57.22	357.05	0.07	-57.15
CC1=C([O-])N=C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)S1	REAL300033405765	1	39	-1.0	-57.22	357.05	0.07	-57.15
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O=C(C[N-]C(=O)C(F)(F)F)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033405962	0	39	-1.0	-50.88	363.51	-0.79	-51.67
NC1=NC([O-])=C(CC(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)S1	REAL300033405963	0	41	-1.0	-67.98	374.73	-1.60	-69.58
O=C(CC1=NC([O-])=CS1)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033406011	0	39	-1.0	-71.18	359.91	-0.73	-71.91
CCC1=NC=C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)[N-]1	REAL300033406029	1	44	-1.0	-56.67	384.87	1.48	-55.19
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033406038	0	41	-1.0	-61.38	369.41	-2.19	-63.57
CC1=CC(=O)C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=N[N-]1	REAL300033406257	0	41	-1.0	-57.29	357.62	3.35	-53.94
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COC1=NC(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=CC(=O)[N-]1	REAL300033406404	0	42	-1.0	-56.93	368.86	-2.01	-58.94
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300033406661	1	39	-1.0	-65.95	341.81	3.10	-62.85
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300033406788	0	38	-1.0	-67.98	341.24	-2.51	-70.49
O=C(CN1C(=O)[N-]NC1=O)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300033406960	0	40	-1.0	-58.79	357.99	-0.94	-59.73
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC(Cl)=CC=C3[O-])C2)C1	REAL300033408381	1	40	-1.0	-74.41	361.82	4.68	-69.73
N#CC1=CC([O-])=CC(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)C3)=C1	REAL300033408406	1	41	-1.0	-58.60	364.63	2.97	-55.63
CCC1=NC=C(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300033408494	1	44	-1.0	-64.87	373.16	2.76	-62.11
O=C(C1=COC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300033408513	1	36	-1.0	-53.59	324.28	-0.97	-54.56
O=C(C[N-]C(=O)C(F)(F)F)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300033408583	0	39	-1.0	-52.90	362.43	-0.65	-53.55
NC1=NC([O-])=C(CC(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)C3)S1	REAL300033408584	0	41	-1.0	-84.80	372.72	-1.45	-86.25
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=C(F)C=C([O-])C=C3F)C2)C1	REAL300033408594	0	40	-1.0	-61.81	365.43	2.98	-58.83
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC=C([O-])C=C3F)C2)C1	REAL300033408609	1	40	-1.0	-67.38	351.07	2.76	-64.62
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC([O-])=CC(=O)O3)C2)C1	REAL300033408615	0	39	-1.0	-55.00	349.12	2.14	-52.86
N#CC1=CC=C(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)C3)C=C1[O-]	REAL300033408622	1	41	-1.0	-61.67	364.86	2.99	-58.68
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC(Cl)=NC=C3[O-])C2)C1	REAL300033408625	0	39	-1.0	-69.77	354.99	2.86	-66.91
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300033408643	0	41	-1.0	-75.26	367.40	-2.00	-77.26
CC1=CC=C([O-])C(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)C3)=N1	REAL300033408706	1	42	-1.0	-76.57	362.50	3.73	-72.84
O=C(CCC1=NC(=O)[N-]N1)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300033408708	1	42	-1.0	-63.69	368.23	-0.85	-64.54
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300033408724	0	38	-1.0	-55.92	332.37	2.33	-53.59
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC=CC(F)=C3[O-])C2)C1	REAL300033408733	0	40	-1.0	-84.08	351.33	4.24	-79.84
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC=CC([O-])=C3F)C2)C1	REAL300033408829	1	40	-1.0	-81.21	351.64	2.71	-78.50
O=C(C1=CC(=O)N[N-]1)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300033408937	0	37	-1.0	-62.61	329.19	-0.46	-63.07
C[PH](C)([O-])C(=O)C(=O)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300033408943	0	42	-1.0	-60.91	362.13	0.75	-60.16
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC(F)=CC(F)=C3[O-])C2)C1	REAL300033409014	0	40	-1.0	-62.52	356.87	4.34	-58.18
O=C(C1=CC(=O)N([O-])C=C1)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300033409039	0	40	-1.0	-70.31	350.69	3.10	-67.21
O=C(C1=NC(=O)N[N-]1)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300033409064	0	36	-1.0	-54.14	324.90	-1.53	-55.67
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=C([O-])C=CC=C3Cl)C2)C1	REAL300033409067	1	40	-1.0	-66.06	367.60	3.37	-62.69
O=C(C1=CC=CN([O-])C1=O)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300033409071	0	40	-1.0	-79.49	358.01	3.46	-76.03
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=C(F)C=CC([O-])=C3F)C2)C1	REAL300033409100	1	40	-1.0	-64.81	365.24	2.96	-61.85
NC1=CC(=O)[N-]C(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)C3)=N1	REAL300033409187	0	40	-1.0	-72.31	353.01	-0.89	-73.20
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC=C([O-])C(Cl)=C3)C2)C1	REAL300033409239	0	40	-1.0	-55.42	360.68	3.12	-52.30
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC(F)=CC=C3[O-])C2)C1	REAL300033409244	1	40	-1.0	-73.68	351.50	4.25	-69.43
CC1=CC=NC(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)C3)=C1[O-]	REAL300033409309	1	42	-1.0	-75.30	361.21	3.83	-71.47
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CN=CC([O-])=C3)C2)C1	REAL300033409424	1	39	-1.0	-54.86	340.20	0.75	-54.11
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC=CC(=S)N3[O-])C2)C1	REAL300033409434	0	40	-1.0	-99.74	359.27	5.21	-94.53
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC=C([O-])C(Cl)=N3)C2)C1	REAL300033409546	0	39	-1.0	-58.29	359.19	1.95	-56.34
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC=C([O-])C=C3Cl)C2)C1	REAL300033409588	1	40	-1.0	-65.40	359.27	3.19	-62.21
O=C(CC1=NC([O-])=CS1)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300033409599	0	39	-1.0	-74.48	357.87	-0.54	-75.02
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=C([O-])C=CC=C3F)C2)C1	REAL300033409614	0	40	-1.0	-67.61	358.11	3.01	-64.60
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300033409616	0	42	-1.0	-69.06	373.17	0.11	-68.95
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC=C(F)C=C3[O-])C2)C1	REAL300033409617	0	40	-1.0	-78.11	350.82	4.27	-73.84
CC1=CC=C(F)C([O-])=C1C(=O)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300033409654	0	43	-1.0	-63.63	378.47	3.51	-60.12
O=C(CC1SC(=O)[N-]C1=O)N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300033409723	0	40	-1.0	-61.98	366.47	-1.33	-63.31
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC=C([O-])C(F)=C3F)C2)C1	REAL300033409748	0	40	-1.0	-69.99	357.86	2.79	-67.20
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=CC=CC(Cl)=C3[O-])C2)C1	REAL300033409755	0	40	-1.0	-78.18	361.14	4.70	-73.48
CC1=CC(=O)C(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300033409784	0	41	-1.0	-57.34	358.57	3.33	-54.01
O=C(C1=CC=CC(=O)N1[O-])N1CC2(C1)CCN(C(=O)C1=NSNC1=O)C2	REAL300033409809	0	40	-1.0	-96.86	348.16	4.17	-92.69
N#CC1=CC=C(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300033409839	0	40	-1.0	-61.64	357.99	2.26	-59.38
CN1N=C(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300033409888	0	39	-1.0	-60.49	347.54	-0.28	-60.77
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=C(F)C=CC(O)=C3O)C2)C1	REAL300033409941	0	41	-1.0	-68.72	369.61	1.06	-67.66
O=C(C1=NSNC1=O)N1CCC2(CN(C(=O)C3=C(F)C=CC(O)=C3[O-])C2)C1	REAL300033409941	1	41	-1.0	-68.72	369.61	1.06	-67.66
N#CC1=CC=C([O-])C(C(=O)N2CC3(C2)CCN(C(=O)C2=NSNC2=O)C3)=C1	REAL300033409950	0	41	-1.0	-58.47	366.18	4.58	-53.89
CN1[N-]C(C(=O)N2CCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300033411113	0	40	-1.0	-54.33	352.86	1.18	-53.15
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033411120	0	40	-1.0	-56.96	370.38	-0.79	-57.75
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300033411282	0	38	-1.0	-54.62	342.93	-2.99	-57.61
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300033411282	1	38	-1.0	-48.35	343.51	-2.24	-50.59
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033411433	0	42	-1.0	-58.42	375.18	-0.08	-58.50
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300033411441	0	36	-1.0	-57.40	323.92	-0.28	-57.68
O=C(C1=NSNC1=O)N1CC2(C1)CCN(C(=O)C1=CN([O-])C(=O)NC1=O)C2	REAL300033411454	0	40	-1.0	-55.36	365.20	0.70	-54.66
O=C(NCC12CC(CO1)N(C(=O)C1=NSNC1=O)C2)C1=NNC(=O)[N-]C1=O	REAL300033412228	0	39	-1.0	-53.84	351.79	-4.93	-58.77
O=C(CN1C(=O)[N-]NC1=O)NCC12CC(CO1)N(C(=O)C1=NSNC1=O)C2	REAL300033412277	0	41	-1.0	-54.26	365.60	-3.27	-57.53
O=C(NCC12CC(CO1)N(C(=O)C1=NSNC1=O)C2)C1=CN([O-])C(=O)C=C1	REAL300033412623	0	41	-1.0	-67.15	362.86	1.19	-65.96
O=C(NCC12CC(CO1)N(C(=O)C1=NSNC1=O)C2)C1=CC(=O)NC([O-])=C1	REAL300033412698	0	41	-1.0	-48.72	363.81	-3.73	-52.45
O=C(NCC12CC(CO1)N(C(=O)C1=NSNC1=O)C2)C1=COC(=O)[N-]1	REAL300033412709	1	37	-1.0	-48.91	335.39	-3.88	-52.79
CCN1[N-]C(C(=O)NCC23CC(CO2)N(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033412814	0	44	-1.0	-52.15	384.76	-0.23	-52.38
O=C(CC1=CC(=O)N[N-]1)NCC12CC(CO1)N(C(=O)C1=NSNC1=O)C2	REAL300033412821	1	41	-1.0	-58.76	360.58	-2.23	-60.99
CN1N=C(C(=O)NCC23CC(CO2)N(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300033412840	0	40	-1.0	-55.21	357.85	-2.70	-57.91
O=C(NCC12CC(CO1)N(C(=O)C1=NSNC1=O)C2)C1=C[N-]N=CC1=O	REAL300033412892	0	39	-1.0	-41.78	344.75	-0.74	-42.52
O=C(NCC12CC(CO1)N(C(=O)C1=NSNC1=O)C2)C1=CC(=O)N[N-]1	REAL300033412950	0	38	-1.0	-48.95	340.22	-2.89	-51.84
C[PH](C)([O-])C(=O)C(=O)NCC12CC(CO1)N(C(=O)C1=NSNC1=O)C2	REAL300033412955	0	43	-1.0	-49.43	373.68	-1.59	-51.02
O=C(CCC1=NC(=O)[N-]N1)NCC12CC(CO1)N(C(=O)C1=NSNC1=O)C2	REAL300033412973	1	43	-1.0	-61.22	376.57	-3.24	-64.46
O=C(NCC12CC(CO1)N(C(=O)C1=NSNC1=O)C2)C1=CC=CN([O-])C1=O	REAL300033412975	0	41	-1.0	-59.23	360.75	1.31	-57.92
CC1=C([O-])N=C(C(=O)NCC23CC(CO2)N(C(=O)C2=NSNC2=O)C3)S1	REAL300033412994	1	40	-1.0	-55.08	367.18	-2.75	-57.83
O=C(NCC12CC(CO1)N(C(=O)C1=NSNC1=O)C2)C1=CC(=O)N([O-])C=C1	REAL300033413009	0	41	-1.0	-67.74	363.16	1.19	-66.55
O=C(NCC12CC(CO1)N(C(=O)C1=NSNC1=O)C2)C1=CC=CC(=O)N1[O-]	REAL300033413031	0	41	-1.0	-79.51	360.60	2.17	-77.34
O=C(CC1=NC([O-])=CS1)NCC12CC(CO1)N(C(=O)C1=NSNC1=O)C2	REAL300033413133	0	40	-1.0	-68.52	367.16	-3.00	-71.52
CC1=CC(=O)C(C(=O)NCC23CC(CO2)N(C(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300033413272	0	42	-1.0	-51.09	368.95	0.93	-50.16
O=C(NCC12CC(CO1)N(C(=O)C1=NSNC1=O)C2)C1=NNC(=O)[N-]1	REAL300033413282	0	37	-1.0	-52.42	335.01	-4.36	-56.78
O=C(NCC12CC(CO1)N(C(=O)C1=NC=CC=C1[O-])C2)C1=NSNC1=O	REAL300033413617	1	40	-1.0	-63.62	352.55	0.73	-62.89
O=C(NCC12CC(CO1)N(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=NSNC1=O	REAL300033413706	0	39	-1.0	-56.11	351.54	-4.97	-61.08
O=C(CN1C(=O)[N-]NC1=O)N1CC2(CNC(=O)C3=NSNC3=O)CC1CO2	REAL300033413793	0	41	-1.0	-56.71	369.51	-3.48	-60.19
O=C(NCC12CC(CO1)N(C(=O)C1=COC(=O)[N-]1)C2)C1=NSNC1=O	REAL300033414589	1	37	-1.0	-51.48	336.09	-3.30	-54.78
O=C(NCC12CC(CO1)N(C(=O)C1=CC=C([O-])C=C1F)C2)C1=NSNC1=O	REAL300033414651	1	41	-1.0	-54.33	363.71	0.17	-54.16
O=C(NCC12CC(CO1)N(C(=O)C1=CC([O-])=CC(=O)O1)C2)C1=NSNC1=O	REAL300033414654	0	40	-1.0	-51.78	360.15	-0.46	-52.24
CC1=CC=C([O-])C(C(=O)N2CC3(CNC(=O)C4=NSNC4=O)CC2CO3)=N1	REAL300033414701	1	43	-1.0	-64.55	373.59	1.33	-63.22
O=C(CCC1=NC(=O)[N-]N1)N1CC2(CNC(=O)C3=NSNC3=O)CC1CO2	REAL300033414702	1	43	-1.0	-60.48	378.98	-3.37	-63.85
O=C(NCC12CC(CO1)N(C(=O)C1=C[N-]N=CC1=O)C2)C1=NSNC1=O	REAL300033414711	0	39	-1.0	-50.19	353.61	-1.23	-51.42
O=C(NCC12CC(CO1)N(C(=O)C1=CC=CC(F)=C1[O-])C2)C1=NSNC1=O	REAL300033414718	0	41	-1.0	-68.13	363.84	1.33	-66.80
O=C(NCC12CC(CO1)N(C(=O)C1=CC=CC([O-])=C1F)C2)C1=NSNC1=O	REAL300033414773	1	41	-1.0	-65.83	364.10	0.14	-65.69
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)N[N-]1)C2)C1=NSNC1=O	REAL300033414838	0	38	-1.0	-51.62	340.17	-2.93	-54.55
C[PH](C)([O-])C(=O)C(=O)N1CC2(CNC(=O)C3=NSNC3=O)CC1CO2	REAL300033414843	0	43	-1.0	-50.10	371.23	-1.65	-51.75
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=NSNC1=O	REAL300033414889	0	41	-1.0	-65.03	370.99	0.89	-64.14
O=C(NCC12CC(CO1)N(C(=O)C1=NC(=O)N[N-]1)C2)C1=NSNC1=O	REAL300033414904	0	37	-1.0	-51.28	335.98	-3.91	-55.19
O=C(NCC12CC(CO1)N(C(=O)C1=CC=CN([O-])C1=O)C2)C1=NSNC1=O	REAL300033414908	0	41	-1.0	-75.22	369.94	0.87	-74.35
NC1=CC(=O)[N-]C(C(=O)N2CC3(CNC(=O)C4=NSNC4=O)CC2CO3)=N1	REAL300033414981	0	41	-1.0	-60.48	364.55	-3.31	-63.79
O=C(NCC12CC(CO1)N(C(=O)C1=CC(F)=CC=C1[O-])C2)C1=NSNC1=O	REAL300033415005	1	41	-1.0	-58.89	364.03	1.21	-57.68
CC1=CC=NC(C(=O)N2CC3(CNC(=O)C4=NSNC4=O)CC2CO3)=C1[O-]	REAL300033415046	1	43	-1.0	-63.23	372.31	1.44	-61.79
O=C(NCC12CC(CO1)N(C(=O)C1=CN=CC([O-])=C1)C2)C1=NSNC1=O	REAL300033415101	1	40	-1.0	-51.17	349.78	-1.81	-52.98
O=C(CC1=NC([O-])=CS1)N1CC2(CNC(=O)C3=NSNC3=O)CC1CO2	REAL300033415180	0	40	-1.0	-69.93	370.36	-3.15	-73.08
O=C(NCC12CC(CO1)N(C(=O)C1=C([O-])C=CC=C1F)C2)C1=NSNC1=O	REAL300033415191	0	41	-1.0	-59.19	369.99	0.43	-58.76
O=C(NCC12CC(CO1)N(C(=O)C1=CC=C(F)C=C1[O-])C2)C1=NSNC1=O	REAL300033415192	0	41	-1.0	-62.04	363.48	1.25	-60.79
CC1=CC(=O)C(C(=O)N2CC3(CNC(=O)C4=NSNC4=O)CC2CO3)=N[N-]1	REAL300033415276	0	42	-1.0	-54.75	368.46	0.88	-53.87
O=C(NCC12CC(CO1)N(C(=O)C1=CC=CC(=O)N1[O-])C2)C1=NSNC1=O	REAL300033415291	0	41	-1.0	-75.62	369.48	0.65	-74.97
CN1N=C(C(=O)N2CC3(CNC(=O)C4=NSNC4=O)CC2CO3)[N-]C1=O	REAL300033415333	0	40	-1.0	-58.20	358.36	-2.78	-60.98
O=C(NCC12CC(CO1)N(C(=O)C1=CC=C(F)C([O-])=C1)C2)C1=NSNC1=O	REAL300033415448	1	41	-1.0	-63.92	361.01	0.03	-63.89
O=C(NCC12CC(CO1)N(C(=O)C1=NC(=O)[N-]C(=O)N1)C2)C1=NSNC1=O	REAL300033415495	0	39	-1.0	-48.18	354.31	-4.73	-52.91
O=C(NCC12CC(CO1)N(C(=O)C1=NC(=O)NC(=O)[N-]1)C2)C1=NSNC1=O	REAL300033415495	1	39	-1.0	-48.18	354.31	-4.73	-52.91
NC1=NC=C(C(=O)N2CC3(CNC(=O)C4=NSNC4=O)CC2CO3)C(=O)N1	REAL300033415530	0	41	-1.0	-58.96	368.08	-2.56	-61.52
NC1=NC=C(C(=O)N2CC3(CNC(=O)C4=NSNC4=O)CC2CO3)C(=O)[N-]1	REAL300033415530	1	41	-1.0	-58.96	368.08	-2.56	-61.52
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NSNC1=O	REAL300033415611	0	37	-1.0	-55.11	335.78	-2.73	-57.84
CC1SC(C(=O)N2CC3(CNC(=O)C4=NSNC4=O)CC2CO3)=NC1=O	REAL300033415626	0	40	-1.0	-56.11	366.98	-2.40	-58.51
CC1=C([O-])N=C(C(=O)N2CC3(CNC(=O)C4=NSNC4=O)CC2CO3)S1	REAL300033415626	1	40	-1.0	-56.11	366.98	-2.40	-58.51
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CCN1[N-]C(C(=O)N2CC3(CNC(=O)C4=NSNC4=O)CC2CO3)=CC1=O	REAL300033415756	0	44	-1.0	-55.28	385.79	-0.36	-55.64
CN1[N-]C(C(=O)N2CC3(CNC(=O)C4=NSNC4=O)CC2CO3)=CC1=O	REAL300033415772	0	41	-1.0	-54.47	364.06	-1.30	-55.77
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O=C(NCC12CC(CO1)N(C(=O)C1=CC=C([O-])C(F)=C1)C2)C1=NSNC1=O	REAL300033415854	1	41	-1.0	-54.98	360.96	0.06	-54.92
CC1=CN=C(C(=O)N2CC3(CNC(=O)C4=NSNC4=O)CC2CO3)C(O)=C1	REAL300033415910	0	43	-1.0	-65.12	374.00	1.36	-63.76
CC1=CN=C(C(=O)N2CC3(CNC(=O)C4=NSNC4=O)CC2CO3)C([O-])=C1	REAL300033415910	1	43	-1.0	-65.12	374.00	1.36	-63.76
O=C(NCC12CC(CO1)N(C(=O)C1=CC([O-])=CS1)C2)C1=NSNC1=O	REAL300033415922	0	38	-1.0	-62.26	347.64	-0.95	-63.21
O=C(NCC12CC(CO1)N(C(=O)C1=CN([O-])C(=O)C=C1)C2)C1=NSNC1=O	REAL300033415933	0	41	-1.0	-62.84	370.41	0.90	-61.94
CN1[N-]C(C(=O)NCC23CC(CO2)N(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033416024	0	41	-1.0	-51.44	363.03	-1.17	-52.61
O=C(NCC12CC(CO1)N(C(=O)C1=NSNC1=O)C2)C1=NC(=O)[N-]C(=O)N1	REAL300033416109	0	39	-1.0	-45.80	353.69	-5.16	-50.96
O=C(NCC12CC(CO1)N(C(=O)C1=NSNC1=O)C2)C1=NC(=O)NC(=O)[N-]1	REAL300033416109	1	39	-1.0	-45.80	353.69	-5.16	-50.96
O=C(NCC12CC(CO1)N(C(=O)C1=NSNC1=O)C2)C1=CC(=O)[N-]O1	REAL300033416210	0	37	-1.0	-53.52	334.67	-2.38	-55.90
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O)C1=NNC(=O)[N-]C1=O	REAL300033417017	0	41	-1.0	-56.08	340.90	-1.23	-57.31
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O	REAL300033417068	0	43	-1.0	-58.11	354.72	0.49	-57.62
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O)C1=CN([O-])C(=O)C=C1	REAL300033417448	0	43	-1.0	-68.69	350.64	4.92	-63.77
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O)C1=CC(=O)NC([O-])=C1	REAL300033417527	0	43	-1.0	-49.84	351.21	0.01	-49.83
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300033417538	1	39	-1.0	-49.82	324.14	-0.11	-49.93
CCN1[N-]C(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=NSNC2=O)=CC1=O	REAL300033417655	0	46	-1.0	-54.31	373.51	3.52	-50.79
O=C(CC1=CC(=O)N[N-]1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O	REAL300033417662	1	43	-1.0	-61.38	349.66	1.52	-59.86
CN1N=C(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=NSNC2=O)[N-]C1=O	REAL300033417685	0	42	-1.0	-57.29	346.39	1.10	-56.19
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O)C1=C[N-]N=CC1=O	REAL300033417742	0	41	-1.0	-42.38	328.90	2.95	-39.43
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300033417807	0	40	-1.0	-50.88	328.97	0.88	-50.00
C[PH](C)([O-])C(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O	REAL300033417812	0	45	-1.0	-50.51	367.88	2.22	-48.29
O=C(CCC1=NC(=O)NN1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O	REAL300033417833	0	45	-1.0	-62.32	364.97	0.57	-61.75
O=C(CCC1=NC(=O)[N-]N1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O	REAL300033417833	1	45	-1.0	-62.32	364.97	0.57	-61.75
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O)C1=CC=CN([O-])C1=O	REAL300033417836	0	43	-1.0	-81.34	348.73	5.90	-75.44
CC1SC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=NSNC2=O)=NC1=O	REAL300033417857	0	42	-1.0	-55.77	356.02	0.97	-54.80
CC1=C([O-])N=C(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=NSNC2=O)S1	REAL300033417857	1	42	-1.0	-55.77	356.02	0.97	-54.80
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O)C1=CC(=O)N([O-])C=C1	REAL300033417873	0	43	-1.0	-69.02	351.13	4.91	-64.11
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O)C1=CC=CC(=O)N1[O-]	REAL300033417898	0	43	-1.0	-83.14	347.96	5.87	-77.27
O=C(CC1=NC([O-])=CS1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O	REAL300033418012	0	42	-1.0	-71.63	355.57	0.80	-70.83
CC1=CC(=O)C(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=NSNC2=O)=N[N-]1	REAL300033418166	0	44	-1.0	-53.80	358.06	4.66	-49.14
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O)C1=NC(=O)N[N-]1	REAL300033418176	0	39	-1.0	-49.80	323.85	-0.44	-50.24
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NC=CC=C1[O-])C1=NSNC1=O	REAL300033418518	1	42	-1.0	-66.10	341.21	4.49	-61.61
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NNC(=O)[N-]C1=O)C1=NSNC1=O	REAL300033418616	0	41	-1.0	-58.34	340.80	-1.26	-59.60
O=C(CN1C(=O)[N-]NC1=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=NSNC1=O)C2	REAL300033418708	0	43	-1.0	-59.86	358.66	0.17	-59.69
N#CC1=CC([O-])=CC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=NSNC2=O)C3)=C1	REAL300033419518	1	44	-1.0	-50.63	364.72	3.97	-46.66
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=COC(=O)[N-]1)C1=NSNC1=O	REAL300033419585	1	39	-1.0	-52.28	324.15	0.71	-51.57
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C([O-])C=C1F)C1=NSNC1=O	REAL300033419654	1	43	-1.0	-56.23	348.88	3.69	-52.54
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC([O-])=CC(=O)O1)C1=NSNC1=O	REAL300033419658	0	42	-1.0	-53.68	349.37	3.21	-50.47
N#CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=NSNC2=O)C3)C=C1[O-]	REAL300033419661	1	44	-1.0	-53.35	364.91	4.07	-49.28
CC1=CC=C([O-])C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=NSNC2=O)C3)=N1	REAL300033419712	1	45	-1.0	-66.93	362.82	5.09	-61.84
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=C[N-]N=CC1=O)C1=NSNC1=O	REAL300033419723	0	41	-1.0	-46.13	328.69	2.27	-43.86
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=CC(F)=C1[O-])C1=NSNC1=O	REAL300033419730	0	43	-1.0	-69.77	348.29	5.20	-64.57
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=CC([O-])=C1F)C1=NSNC1=O	REAL300033419794	1	43	-1.0	-67.27	348.62	3.71	-63.56
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)N[N-]1)C1=NSNC1=O	REAL300033419866	0	40	-1.0	-53.49	329.30	0.80	-52.69
C[PH](C)([O-])C(=O)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=NSNC1=O)C2	REAL300033419871	0	45	-1.0	-52.78	368.25	1.92	-50.86
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)N([O-])C=C1)C1=NSNC1=O	REAL300033419921	0	43	-1.0	-65.40	360.02	4.51	-60.89
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NNC(=O)[N-]1)C1=NSNC1=O	REAL300033419938	0	39	-1.0	-56.83	323.79	-0.66	-57.49
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=CN([O-])C1=O)C1=NSNC1=O	REAL300033419943	0	43	-1.0	-80.75	358.70	4.48	-76.27
NC1=CC(=O)[N-]C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=NSNC2=O)C3)=N1	REAL300033420021	0	43	-1.0	-62.26	353.60	0.47	-61.79
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(F)=CC=C1[O-])C1=NSNC1=O	REAL300033420049	1	43	-1.0	-61.32	348.36	5.19	-56.13
CC1=CC=NC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=NSNC2=O)C3)=C1[O-]	REAL300033420091	1	45	-1.0	-65.72	361.55	5.19	-60.53
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CN=CC([O-])=C1)C1=NSNC1=O	REAL300033420151	1	42	-1.0	-59.55	342.41	1.89	-57.66
O=C(CC1=NC([O-])=CS1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=NSNC1=O)C2	REAL300033420244	0	42	-1.0	-71.79	359.29	0.52	-71.27
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=C([O-])C=CC=C1F)C1=NSNC1=O	REAL300033420255	0	43	-1.0	-59.07	359.51	4.06	-55.01
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C(F)C=C1[O-])C1=NSNC1=O	REAL300033420256	0	43	-1.0	-63.73	348.63	5.14	-58.59
CC1=CC(=O)C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300033420350	0	44	-1.0	-56.78	357.99	4.60	-52.18
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=CC(=O)N1[O-])C1=NSNC1=O	REAL300033420365	0	43	-1.0	-83.89	346.83	5.17	-78.72
CN1N=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300033420411	0	42	-1.0	-59.85	346.55	1.00	-58.85
N#CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=NSNC2=O)C3)C([O-])=C1	REAL300033420444	0	44	-1.0	-61.32	363.04	5.48	-55.84
N#CC1=CC=C([O-])C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=NSNC2=O)C3)=C1	REAL300033420450	0	44	-1.0	-57.63	364.62	5.39	-52.24
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C(F)C([O-])=C1)C1=NSNC1=O	REAL300033420540	1	43	-1.0	-57.25	350.99	3.69	-53.56
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NC(=O)[N-]C(=O)N1)C1=NSNC1=O	REAL300033420590	0	41	-1.0	-49.08	342.60	-0.86	-49.94
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NC(=O)NC(=O)[N-]1)C1=NSNC1=O	REAL300033420590	1	41	-1.0	-49.08	342.60	-0.86	-49.94
NC1=NC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=NSNC2=O)C3)C(=O)N1	REAL300033420626	0	43	-1.0	-58.60	357.55	1.07	-57.53
NC1=NC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300033420626	1	43	-1.0	-58.60	357.55	1.07	-57.53
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=NSNC1=O	REAL300033420714	0	39	-1.0	-57.15	323.91	0.95	-56.20
CC1SC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=NSNC2=O)C3)=NC1=O	REAL300033420730	0	42	-1.0	-58.49	356.26	1.44	-57.05
CC1=C([O-])N=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=NSNC2=O)C3)S1	REAL300033420730	1	42	-1.0	-58.49	356.26	1.44	-57.05
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)NC([O-])=C1)C1=NSNC1=O	REAL300033420829	0	43	-1.0	-51.38	360.22	-0.38	-51.76
CCN1[N-]C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033420871	0	46	-1.0	-56.63	373.47	3.45	-53.18
CN1[N-]C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033420887	0	43	-1.0	-55.89	351.89	2.50	-53.39
O=C(CC1=CC(=O)N[N-]1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=NSNC1=O)C2	REAL300033420968	1	43	-1.0	-61.95	353.66	1.25	-60.70
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C([O-])C(F)=C1)C1=NSNC1=O	REAL300033420972	1	43	-1.0	-56.88	350.94	3.74	-53.14
CC1=CN=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=NSNC2=O)C3)C([O-])=C1	REAL300033421034	1	45	-1.0	-67.65	362.42	5.13	-62.52
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC([O-])=CS1)C1=NSNC1=O	REAL300033421047	0	40	-1.0	-64.38	336.73	2.57	-61.81
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CN([O-])C(=O)C=C1)C1=NSNC1=O	REAL300033421058	0	43	-1.0	-70.65	353.23	4.32	-66.33
CN1[N-]C(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=NSNC2=O)=CC1=O	REAL300033421155	0	43	-1.0	-53.56	351.78	2.59	-50.97
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O)C1=NC(=O)[N-]C(=O)N1	REAL300033421250	0	41	-1.0	-46.94	342.78	-1.40	-48.34
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O)C1=NC(=O)NC(=O)[N-]1	REAL300033421250	1	41	-1.0	-46.94	342.78	-1.40	-48.34
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300033421356	0	39	-1.0	-54.88	323.71	1.35	-53.53
O=C(C1=COC(=O)N1)N1CCCC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300033421713	0	43	-1.0	-53.65	351.53	0.12	-53.53
O=C(C1=COC(=O)[N-]1)N1CCCC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300033421713	1	43	-1.0	-53.65	351.53	0.12	-53.53
O=C(C1=CC(=O)N[N-]1)N1CCCC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300033421792	0	44	-1.0	-53.95	358.36	0.14	-53.81
O=C(C1=NC(=O)N[N-]1)N1CCCC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300033421861	0	43	-1.0	-53.64	351.34	-0.61	-54.25
O=C(C1=COC(=O)[N-]1)N1CCOC2(CCCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033422203	1	43	-1.0	-60.32	351.66	0.07	-60.25
O=C(C1=CC(=O)N[N-]1)N1CCOC2(CCCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033422256	0	44	-1.0	-60.45	356.52	-0.02	-60.47
O=C(C1=NC(=O)N[N-]1)N1CCOC2(CCCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033422266	0	43	-1.0	-59.44	351.08	-0.60	-60.04
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033422412	0	43	-1.0	-57.27	353.15	0.19	-57.08
O=C(C1=CC(=O)[N-]O1)N1CCCC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300033422568	0	43	-1.0	-58.64	351.83	-0.02	-58.66
O=C(NCC1CC12CCN(C(=O)C1=NSNC1=O)CC2)C1=COC(=O)[N-]1	REAL300033423824	1	42	-1.0	-53.68	363.31	-0.76	-54.44
O=C(CC1=CC(=O)N[N-]1)NCC1CC12CCN(C(=O)C1=NSNC1=O)CC2	REAL300033423902	1	46	-1.0	-60.49	388.36	0.84	-59.65
CN1N=C(C(=O)NCC2CC23CCN(C(=O)C2=NSNC2=O)CC3)[N-]C1=O	REAL300033423911	0	45	-1.0	-61.68	385.39	0.44	-61.24
O=C(NCC1CC12CCN(C(=O)C1=NSNC1=O)CC2)C1=C[N-]N=CC1=O	REAL300033423943	0	44	-1.0	-44.20	371.91	2.36	-41.84
O=C(NCC1CC12CCN(C(=O)C1=NSNC1=O)CC2)C1=CC(=O)N[N-]1	REAL300033423977	0	43	-1.0	-55.00	368.14	0.23	-54.77
O=C(NCC1CC12CCN(C(=O)C1=NSNC1=O)CC2)C1=NC(=O)N[N-]1	REAL300033424148	0	42	-1.0	-53.78	362.73	-1.06	-54.84
O=C(NCC1CC12CCN(C(=O)C1=NC=CC=C1[O-])CC2)C1=NSNC1=O	REAL300033424442	1	45	-1.0	-69.54	382.08	3.57	-65.97
O=C(NCC1CC12CCN(C(=O)C1=COC(=O)[N-]1)CC2)C1=NSNC1=O	REAL300033424917	1	42	-1.0	-56.49	363.00	0.36	-56.13
O=C(NCC1CC12CCN(C(=O)C1=C[N-]N=CC1=O)CC2)C1=NSNC1=O	REAL300033424988	0	44	-1.0	-50.10	377.55	1.71	-48.39
O=C(NCC1CC12CCN(C(=O)C1=CC(=O)N[N-]1)CC2)C1=NSNC1=O	REAL300033425047	0	43	-1.0	-56.68	367.53	0.25	-56.43
O=C(NCC1CC12CCN(C(=O)C1=NC(=O)N[N-]1)CC2)C1=NSNC1=O	REAL300033425081	0	42	-1.0	-56.47	362.62	-0.37	-56.84
O=C(NCC1CC12CCN(C(=O)C1=CN=CC([O-])=C1)CC2)C1=NSNC1=O	REAL300033425189	1	45	-1.0	-58.18	383.47	1.45	-56.73
CN1N=C(C(=O)N2CCC3(CC3CNC(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300033425297	0	45	-1.0	-63.18	385.00	0.45	-62.73
O=C(NCC1CC12CCN(C(=O)C1=CC=NC=C1[O-])CC2)C1=NSNC1=O	REAL300033425427	0	45	-1.0	-68.97	383.14	1.57	-67.40
O=C(NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=NSNC1=O	REAL300033425430	0	42	-1.0	-62.03	362.49	0.21	-61.82
CN1[N-]C(C(=O)N2CCC3(CC3CNC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300033425517	0	46	-1.0	-59.17	390.35	1.95	-57.22
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CC2CNC(=O)C2=NSNC2=O)CC1	REAL300033425563	1	46	-1.0	-63.82	391.59	0.66	-63.16
O=C(NCC1CC12CCN(C(=O)C1=CC([O-])=CS1)CC2)C1=NSNC1=O	REAL300033425607	0	43	-1.0	-69.06	375.84	2.03	-67.03
CN1[N-]C(C(=O)NCC2CC23CCN(C(=O)C2=NSNC2=O)CC3)=CC1=O	REAL300033425666	0	46	-1.0	-57.83	390.95	1.94	-55.89
O=C(NCC1CC12CCN(C(=O)C1=NSNC1=O)CC2)C1=CC(=O)[N-]O1	REAL300033425775	0	42	-1.0	-58.94	362.88	0.71	-58.23
O=C(NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=NNC(=O)[N-]C1=O	REAL300033426901	0	38	-1.0	-63.89	345.80	-7.14	-71.03
O=C(CN1C(=O)[N-]NC1=O)NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O	REAL300033426984	0	40	-1.0	-67.09	358.82	-5.40	-72.49
O=C(NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=CN([O-])C(=O)C=C1	REAL300033427554	0	40	-1.0	-76.21	356.88	-1.02	-77.23
O=C(NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=CC(=O)NC([O-])=C1	REAL300033427668	0	40	-1.0	-60.97	356.23	-5.82	-66.79
O=C(NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=COC(=O)[N-]1	REAL300033427679	1	36	-1.0	-60.96	329.41	-6.08	-67.04
O=C([N-]C[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C(F)(F)C(F)(F)F	REAL300033427766	1	35	-1.0	-56.19	334.80	-2.68	-58.87
CCN1[N-]C(C(=O)NC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2O)=CC1=O	REAL300033427845	0	43	-1.0	-65.35	377.66	-2.36	-67.71
O=C(CC1=CC(=O)N[N-]1)NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O	REAL300033427852	1	40	-1.0	-70.27	353.81	-4.36	-74.63
O=C(NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=CC=CC(=S)N1[O-]	REAL300033427867	0	40	-1.0	-92.25	365.00	1.08	-91.17
CN1N=C(C(=O)NC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2O)[N-]C1=O	REAL300033427890	0	39	-1.0	-65.92	351.49	-4.88	-70.80
O=C(NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=C[N-]N=CC1=O	REAL300033427977	0	38	-1.0	-55.66	337.34	-2.84	-58.50
CC1=C(CC(=O)NC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2O)C(=O)N(C)[N-]1	REAL300033428015	0	46	-1.0	-67.49	398.38	-2.00	-69.49
O=C(NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=CC(=O)N[N-]1	REAL300033428069	0	37	-1.0	-62.01	333.11	-5.01	-67.02
C[PH](C)([O-])C(=O)C(=O)NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O	REAL300033428074	0	42	-1.0	-60.37	366.23	-3.70	-64.07
CN1[N-]C(CC(=O)NC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2O)=CC1=O	REAL300033428077	0	43	-1.0	-72.70	376.65	-2.64	-75.34
O=C(CCC1=NC(=O)[N-]N1)NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O	REAL300033428099	1	42	-1.0	-71.83	369.44	-5.37	-77.20
O=C(NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=CC=CN([O-])C1=O	REAL300033428103	0	40	-1.0	-74.09	353.35	-0.76	-74.85
CC1=C([O-])N=C(C(=O)NC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2O)S1	REAL300033428131	1	39	-1.0	-68.74	359.87	-4.89	-73.63
O=C(NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=CC(=O)C=C(Cl)[N-]1	REAL300033428144	1	39	-1.0	-56.71	364.39	-1.79	-58.50
O=C(NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=CC(=O)N([O-])C=C1	REAL300033428161	0	40	-1.0	-79.00	356.11	-0.93	-79.93
O=C(NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=CC=CC(=O)N1[O-]	REAL300033428192	0	40	-1.0	-89.15	353.89	0.04	-89.11
O=C(C[N-]C(=O)C(F)(F)F)NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O	REAL300033428308	0	39	-1.0	-61.06	363.46	-5.14	-66.20
O=C(CC1=NC([O-])=CS1)NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O	REAL300033428352	0	39	-1.0	-82.40	359.66	-5.08	-87.48
CCC1=NC=C(C(=O)NC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2O)C(=O)[N-]1	REAL300033428370	1	44	-1.0	-61.11	378.64	-2.53	-63.64
O=C(CN1N=CC(=O)[N-]C1=O)NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O	REAL300033428378	0	41	-1.0	-73.48	369.38	-6.54	-80.02
CC1=CC(=O)C(C(=O)NC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2O)=N[N-]1	REAL300033428574	0	41	-1.0	-65.22	362.27	-1.25	-66.47
O=C(NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=NC(=O)N[N-]1	REAL300033428587	0	36	-1.0	-62.16	327.71	-6.29	-68.45
O=C(NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=CN=C(C=N[O-])S1	REAL300033428694	0	39	-1.0	-74.21	368.49	-3.42	-77.63
COC1=NC(C(=O)NC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2O)=CC(=O)[N-]1	REAL300033428706	0	42	-1.0	-66.13	374.23	-7.05	-73.18
O=C(NC[C@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300033428962	1	39	-1.0	-70.91	344.99	-1.36	-72.27
O=C(NC[C@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@H]1O)C1=NSNC1=O	REAL300033429083	0	38	-1.0	-63.55	344.98	-7.19	-70.74
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=NSNC2=O)C1	REAL300033429238	0	40	-1.0	-65.17	361.96	-5.70	-70.87
O=C(NC[C@H]1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300033430502	1	40	-1.0	-62.18	368.59	-0.74	-62.92
N#CC1=CC([O-])=CC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)=C1	REAL300033430526	1	41	-1.0	-59.89	369.42	-1.90	-61.79
CCC1=NC=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033430606	1	44	-1.0	-64.06	389.00	-3.15	-67.21
O=C(NC[C@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1O)C1=NSNC1=O	REAL300033430624	1	36	-1.0	-53.32	329.09	-5.32	-58.64
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H](O)[C@@H](CNC(=O)C2=NSNC2=O)C1	REAL300033430688	0	39	-1.0	-54.20	367.80	-5.42	-59.62
O=C(NC[C@H]1CN(C(=O)C2=CC=C([O-])C=C2F)C[C@H]1O)C1=NSNC1=O	REAL300033430709	1	40	-1.0	-57.82	358.37	-2.04	-59.86
O=C(NC[C@H]1CN(C(=O)C2=CC([O-])=CC(=O)O2)C[C@H]1O)C1=NSNC1=O	REAL300033430715	0	39	-1.0	-54.81	354.39	-2.70	-57.51
N#CC1=CC=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)C=C1[O-]	REAL300033430721	1	41	-1.0	-55.38	369.71	-1.77	-57.15
O=C(NC[C@H]1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300033430724	0	39	-1.0	-58.60	363.35	-2.50	-61.10
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=NSNC2=O)C1	REAL300033430739	0	41	-1.0	-66.86	373.20	-6.75	-73.61
CC1=CC=C([O-])C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)=N1	REAL300033430799	1	42	-1.0	-68.21	367.19	-0.79	-69.00
O=C(CCC1=NC(=O)[N-]N1)N1C[C@@H](O)[C@@H](CNC(=O)C2=NSNC2=O)C1	REAL300033430800	1	42	-1.0	-66.63	372.60	-5.65	-72.28
O=C(NC[C@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1O)C1=NSNC1=O	REAL300033430816	0	38	-1.0	-55.48	347.79	-3.49	-58.97
O=C(NC[C@H]1CN(C(=O)C2=CC=CC(F)=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300033430825	0	40	-1.0	-78.91	356.22	-0.75	-79.66
O=C(NC[C@H]1CN(C(=O)C2=CC=CC([O-])=C2F)C[C@H]1O)C1=NSNC1=O	REAL300033430910	1	40	-1.0	-75.57	356.47	-2.09	-77.66
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1O)C1=NSNC1=O	REAL300033431006	0	37	-1.0	-57.32	333.50	-5.13	-62.45
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=NSNC2=O)C1	REAL300033431012	0	42	-1.0	-56.03	366.77	-4.02	-60.05
CN1[N-]C(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033431017	0	43	-1.0	-70.14	380.19	-2.96	-73.10
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@H]1O)C1=NSNC1=O	REAL300033431095	0	40	-1.0	-71.56	364.38	-1.31	-72.87
O=C(NC[C@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1O)C1=NSNC1=O	REAL300033431118	0	36	-1.0	-55.43	328.26	-5.87	-61.30
O=C(NC[C@H]1CN(C(=O)C2=C([O-])C=CC=C2Cl)C[C@H]1O)C1=NSNC1=O	REAL300033431120	1	40	-1.0	-63.54	373.83	-1.43	-64.97
O=C(NC[C@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@H]1O)C1=NSNC1=O	REAL300033431124	0	40	-1.0	-81.60	364.18	-1.36	-82.96
NC1=CC(=O)[N-]C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)=N1	REAL300033431232	0	40	-1.0	-67.07	357.13	-5.37	-72.44
O=C(NC[C@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C[C@H]1O)C1=NSNC1=O	REAL300033431275	0	40	-1.0	-58.25	365.52	-1.63	-59.88
O=C(NC[C@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300033431280	1	40	-1.0	-61.67	358.28	-1.19	-62.86
CC1=CC=NC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300033431342	1	42	-1.0	-70.86	365.70	-0.73	-71.59
O=C(NC[C@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@H]1O)C1=NSNC1=O	REAL300033431442	1	39	-1.0	-63.50	342.97	-4.08	-67.58
O=C(NC[C@H]1CN(C(=O)C2=CC=CC(=S)N2[O-])C[C@H]1O)C1=NSNC1=O	REAL300033431451	0	40	-1.0	-88.43	374.29	-0.93	-89.36
O=C(NC[C@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C[C@H]1O)C1=NSNC1=O	REAL300033431552	0	39	-1.0	-50.83	364.32	-2.62	-53.45
O=C(NC[C@H]1CN(C(=O)C2=CC=C([O-])C=C2Cl)C[C@H]1O)C1=NSNC1=O	REAL300033431587	1	40	-1.0	-56.63	366.97	-1.61	-58.24
O=C(CC1=NC([O-])=CS1)N1C[C@@H](O)[C@@H](CNC(=O)C2=NSNC2=O)C1	REAL300033431598	0	39	-1.0	-76.58	364.15	-5.36	-81.94
O=C(NC[C@H]1CN(C(=O)C2=C([O-])C=CC=C2F)C[C@H]1O)C1=NSNC1=O	REAL300033431613	0	40	-1.0	-64.40	364.33	-1.80	-66.20
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=NSNC2=O)C1	REAL300033431614	0	42	-1.0	-61.98	379.42	-4.72	-66.70
O=C(NC[C@H]1CN(C(=O)C2=CC=C(F)C=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300033431615	0	40	-1.0	-64.53	358.12	-1.02	-65.55
CC1=CC=C(F)C([O-])=C1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=NSNC2=O)C1	REAL300033431645	0	43	-1.0	-67.15	383.24	-1.28	-68.43
O=C(NC[C@H]1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300033431733	0	40	-1.0	-73.05	366.02	-0.28	-73.33
CC1=CC(=O)C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033431761	0	41	-1.0	-60.96	362.12	-1.33	-62.29
O=C(NC[C@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@H]1O)C1=NSNC1=O	REAL300033431785	0	40	-1.0	-84.79	363.18	-1.56	-86.35
N#CC1=CC=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033431809	0	40	-1.0	-62.80	373.76	-3.68	-66.48
CN1N=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033431851	0	39	-1.0	-63.97	350.52	-4.89	-68.86
O=C(NC[C@H]1CN(C(=O)C2=C(F)C=CC(O)=C2O)C[C@H]1O)C1=NSNC1=O	REAL300033431897	0	41	-1.0	-64.34	374.14	-3.72	-68.06
O=C(NC[C@H]1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300033431897	1	41	-1.0	-64.34	374.14	-3.72	-68.06
N#CC1=CC=C([O-])C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)=C1	REAL300033431906	0	41	-1.0	-58.95	372.72	-0.83	-59.78
O=C(NC[C@H]1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C[C@H]1O)C1=NSNC1=O	REAL300033431986	0	40	-1.0	-58.66	369.11	-3.96	-62.62
O=C(NC[C@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2)C[C@H]1O)C1=NSNC1=O	REAL300033432037	1	40	-1.0	-58.88	355.75	-2.15	-61.03
O=C(NC[C@H]1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300033432055	1	40	-1.0	-64.27	368.44	-0.58	-64.85
O=C(NC[C@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C[C@H]1O)C1=NSNC1=O	REAL300033432118	0	38	-1.0	-52.39	346.70	-6.73	-59.12
O=C(NC[C@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C[C@H]1O)C1=NSNC1=O	REAL300033432118	1	38	-1.0	-52.39	346.70	-6.73	-59.12
NC1=NC=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300033432172	0	40	-1.0	-64.67	362.37	-4.82	-69.49
NC1=NC=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033432172	1	40	-1.0	-64.67	362.37	-4.82	-69.49
O=C(NC[C@H]1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300033432253	0	39	-1.0	-67.39	361.57	-0.90	-68.29
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=NSNC1=O	REAL300033432305	0	36	-1.0	-58.35	329.02	-4.88	-63.23
CC1SC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)=NC1=O	REAL300033432327	0	39	-1.0	-60.15	359.80	-4.39	-64.54
CC1=C([O-])N=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)S1	REAL300033432327	1	39	-1.0	-60.15	359.80	-4.39	-64.54
O=C(NC[C@H]1CN(C(=O)C(=O)C2=CC=C(O)C=C2)C[C@H]1O)C1=NSNC1=O	REAL300033432415	0	42	-1.0	-57.41	371.91	-1.92	-59.33
O=C(NC[C@H]1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C[C@H]1O)C1=NSNC1=O	REAL300033432415	1	42	-1.0	-57.41	371.91	-1.92	-59.33
O=C(NC[C@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)C[C@H]1O)C1=NSNC1=O	REAL300033432432	0	39	-1.0	-69.79	367.20	-3.99	-73.78
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)C=C(Cl)N2)C[C@H]1O)C1=NSNC1=O	REAL300033432451	0	39	-1.0	-51.54	364.02	-1.63	-53.17
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C[C@H]1O)C1=NSNC1=O	REAL300033432451	1	39	-1.0	-51.54	364.02	-1.63	-53.17
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@H]1O)C1=NSNC1=O	REAL300033432471	0	40	-1.0	-53.13	364.82	-6.27	-59.40
CCN1[N-]C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033432527	0	43	-1.0	-58.07	378.91	-2.51	-60.58
CN1[N-]C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033432544	0	40	-1.0	-60.18	356.31	-3.42	-63.60
O=C(CC1=CC(=O)NN1)N1C[C@@H](O)[C@@H](CNC(=O)C2=NSNC2=O)C1	REAL300033432674	0	40	-1.0	-67.73	357.36	-4.68	-72.41
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H](O)[C@@H](CNC(=O)C2=NSNC2=O)C1	REAL300033432674	1	40	-1.0	-67.73	357.36	-4.68	-72.41
O=C(NC[C@H]1CN(C(=O)C2=CC=C(O)C(F)=C2)C[C@H]1O)C1=NSNC1=O	REAL300033432679	0	40	-1.0	-61.52	355.72	-2.11	-63.63
O=C(NC[C@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@H]1O)C1=NSNC1=O	REAL300033432679	1	40	-1.0	-61.52	355.72	-2.11	-63.63
O=C(NC[C@H]1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C[C@H]1O)C1=NSNC1=O	REAL300033432726	0	39	-1.0	-62.64	362.66	-2.47	-65.11
CC1=CN=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)C(O)=C1	REAL300033432776	0	42	-1.0	-72.64	366.83	-0.78	-73.42
CC1=CN=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300033432776	1	42	-1.0	-72.64	366.83	-0.78	-73.42
O=C(NC[C@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@H]1O)C1=NSNC1=O	REAL300033432795	0	37	-1.0	-68.27	340.85	-3.19	-71.46
O=C(NC[C@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@H]1O)C1=NSNC1=O	REAL300033432811	0	40	-1.0	-72.49	364.52	-1.36	-73.85
CN1[N-]C(C(=O)NC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2O)=CC1=O	REAL300033432954	0	40	-1.0	-64.67	355.93	-3.29	-67.96
O=C(NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=NC(=O)[N-]C(=O)N1	REAL300033433105	0	38	-1.0	-64.30	346.64	-8.12	-72.42
O=C(NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=NC(=O)NC(=O)[N-]1	REAL300033433105	1	38	-1.0	-58.66	346.92	-7.30	-65.96
O=C(CN1[N-]C(=O)C=CC1=O)NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O	REAL300033433241	0	42	-1.0	-67.91	374.93	-4.42	-72.33
O=C(NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300033433248	0	36	-1.0	-66.00	327.84	-4.51	-70.51
O=C(NC[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1O)C1=CN([O-])C(=O)NC1=O	REAL300033433259	0	40	-1.0	-62.49	358.60	-3.29	-65.78
O=C(NCC1CCCC2(CN(C(=O)C3=NSNC3=O)C2)O1)C1=COC(=O)[N-]1	REAL300033434029	1	43	-1.0	-65.96	378.16	-2.81	-68.77
O=C(NCC1CCCC2(CN(C(=O)C3=NSNC3=O)C2)O1)C1=CC(=O)N[N-]1	REAL300033434108	0	44	-1.0	-54.55	382.47	-1.60	-56.15
O=C(NCC1CCCC2(CN(C(=O)C3=NSNC3=O)C2)O1)C1=NC(=O)N[N-]1	REAL300033434177	0	43	-1.0	-54.53	377.35	-2.96	-57.49
O=C(NCC1CCCC2(CN(C(=O)C3=COC(=O)[N-]3)C2)O1)C1=NSNC1=O	REAL300033434519	1	43	-1.0	-52.89	378.06	-2.24	-55.13
O=C(NCC1CCCC2(CN(C(=O)C3=CC(=O)N[N-]3)C2)O1)C1=NSNC1=O	REAL300033434572	0	44	-1.0	-52.95	382.42	-1.74	-54.69
O=C(NCC1CCCC2(CN(C(=O)C3=NNC(=O)[N-]3)C2)O1)C1=NSNC1=O	REAL300033434582	0	43	-1.0	-55.44	378.16	-3.13	-58.57
O=C(NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)C1=NSNC1=O	REAL300033434728	0	43	-1.0	-56.73	377.92	-1.35	-58.08
O=C(NCC1CCCC2(CN(C(=O)C3=NSNC3=O)C2)O1)C1=CC(=O)[N-]O1	REAL300033434884	0	43	-1.0	-64.89	377.01	-1.25	-66.14
O=C(C1=NSNC1=O)N1CCCC12CCN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300033435660	0	41	-1.0	-67.79	343.11	-1.60	-69.39
O=C(CN1C(=O)[N-]NC1=O)N1CCC2(CCCN2C(=O)C2=NSNC2=O)C1	REAL300033435711	0	43	-1.0	-71.33	361.39	0.70	-70.63
O=C(C1=NSNC1=O)N1CCCC12CCN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300033436091	0	43	-1.0	-78.13	352.62	3.95	-74.18
O=C(C1=NSNC1=O)N1CCCC12CCN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300033436170	0	43	-1.0	-62.24	362.63	-0.73	-62.97
O=C(C1=COC(=O)[N-]1)N1CCC2(CCCN2C(=O)C2=NSNC2=O)C1	REAL300033436181	1	39	-1.0	-66.76	326.81	0.37	-66.39
CCN1[N-]C(C(=O)N2CCC3(CCCN3C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033436298	0	46	-1.0	-69.62	376.21	3.12	-66.50
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CCCN2C(=O)C2=NSNC2=O)C1	REAL300033436305	1	43	-1.0	-71.11	356.39	1.75	-69.36
CN1N=C(C(=O)N2CCC3(CCCN3C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033436328	0	42	-1.0	-71.93	349.16	0.61	-71.32
O=C(C1=NSNC1=O)N1CCCC12CCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300033436385	0	41	-1.0	-68.45	346.03	2.08	-66.37
O=C(C1=CC(=O)N[N-]1)N1CCC2(CCCN2C(=O)C2=NSNC2=O)C1	REAL300033436450	0	40	-1.0	-70.13	332.52	1.28	-68.85
C[PH](C)([O-])C(=O)C(=O)N1CCC2(CCCN2C(=O)C2=NSNC2=O)C1	REAL300033436455	0	45	-1.0	-69.30	371.55	2.28	-67.02
O=C(CCC1=NC(=O)NN1)N1CCC2(CCCN2C(=O)C2=NSNC2=O)C1	REAL300033436476	0	45	-1.0	-72.10	371.65	0.79	-71.31
O=C(CCC1=NC(=O)[N-]N1)N1CCC2(CCCN2C(=O)C2=NSNC2=O)C1	REAL300033436476	1	45	-1.0	-72.10	371.65	0.79	-71.31
O=C(C1=NSNC1=O)N1CCCC12CCN(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300033436479	0	43	-1.0	-73.91	350.69	3.65	-70.26
CC1SC(C(=O)N2CCC3(CCCN3C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300033436500	0	42	-1.0	-72.56	358.57	1.13	-71.43
CC1=C([O-])N=C(C(=O)N2CCC3(CCCN3C(=O)C3=NSNC3=O)C2)S1	REAL300033436500	1	42	-1.0	-72.56	358.57	1.13	-71.43
O=C(C1=NSNC1=O)N1CCCC12CCN(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300033436516	0	43	-1.0	-77.74	362.54	4.19	-73.55
O=C(C1=NSNC1=O)N1CCCC12CCN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300033436541	0	43	-1.0	-79.79	362.40	4.72	-75.07
O=C(CC1=NC([O-])=CS1)N1CCC2(CCCN2C(=O)C2=NSNC2=O)C1	REAL300033436655	0	42	-1.0	-75.78	362.24	1.04	-74.74
CC1=CC(=O)C(C(=O)N2CCC3(CCCN3C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033436809	0	44	-1.0	-71.40	360.26	4.27	-67.13
O=C(C1=NC(=O)N[N-]1)N1CCC2(CCCN2C(=O)C2=NSNC2=O)C1	REAL300033436819	0	39	-1.0	-66.41	326.48	-0.32	-66.73
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=NC=CC=C2[O-])C1	REAL300033437161	1	42	-1.0	-66.59	343.62	4.12	-62.47
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300033437254	0	41	-1.0	-63.89	343.82	-0.85	-64.74
O=C(CN1C(=O)[N-]NC1=O)N1CCCC12CCN(C(=O)C1=NSNC1=O)C2	REAL300033437337	0	43	-1.0	-62.77	360.94	0.06	-62.71
N#CC1=CC([O-])=CC(C(=O)N2CCCC23CCN(C(=O)C2=NSNC2=O)C3)=C1	REAL300033438013	1	44	-1.0	-54.45	369.92	4.77	-49.68
O=C(C1=COC(=O)[N-]1)N1CCCC12CCN(C(=O)C1=NSNC1=O)C2	REAL300033438069	1	39	-1.0	-55.27	326.84	0.53	-54.74
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=CC=C([O-])C=C2F)C1	REAL300033438135	1	43	-1.0	-58.72	355.07	3.63	-55.09
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300033438139	0	42	-1.0	-56.78	351.85	3.08	-53.70
N#CC1=CC=C(C(=O)N2CCCC23CCN(C(=O)C2=NSNC2=O)C3)C=C1[O-]	REAL300033438141	1	44	-1.0	-66.89	367.43	4.18	-62.71
CC1=CC=C([O-])C(C(=O)N2CCCC23CCN(C(=O)C2=NSNC2=O)C3)=N1	REAL300033438184	1	45	-1.0	-67.49	365.13	4.76	-62.73
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=C[N-]N=CC2=O)C1	REAL300033438195	0	41	-1.0	-63.33	346.27	3.09	-60.24
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300033438200	0	43	-1.0	-80.27	354.51	5.53	-74.74
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=CC=CC([O-])=C2F)C1	REAL300033438255	1	43	-1.0	-78.33	354.81	4.41	-73.92
O=C(C1=CC(=O)N[N-]1)N1CCCC12CCN(C(=O)C1=NSNC1=O)C2	REAL300033438316	0	40	-1.0	-56.44	331.71	0.65	-55.79
C[PH](C)([O-])C(=O)C(=O)N1CCCC12CCN(C(=O)C1=NSNC1=O)C2	REAL300033438320	0	45	-1.0	-59.12	371.04	2.58	-56.54
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300033438363	0	43	-1.0	-75.74	353.68	4.76	-70.98
O=C(C1=NNC(=O)[N-]1)N1CCCC12CCN(C(=O)C1=NSNC1=O)C2	REAL300033438380	0	39	-1.0	-60.26	326.39	-0.87	-61.13
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=CC=CN([O-])C2=O)C1	REAL300033438384	0	43	-1.0	-74.00	354.83	4.13	-69.87
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=CC(F)=CC=C2O)C1	REAL300033438477	0	43	-1.0	-70.39	354.69	5.53	-64.86
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300033438477	1	43	-1.0	-70.39	354.69	5.53	-64.86
CC1=CC=NC(C(=O)N2CCCC23CCN(C(=O)C2=NSNC2=O)C3)=C1O	REAL300033438516	0	45	-1.0	-65.98	363.86	4.85	-61.13
CC1=CC=NC(C(=O)N2CCCC23CCN(C(=O)C2=NSNC2=O)C3)=C1[O-]	REAL300033438516	1	45	-1.0	-65.98	363.86	4.85	-61.13
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=CN=CC(O)=C2)C1	REAL300033438572	0	42	-1.0	-64.56	342.29	1.87	-62.69
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=CN=CC([O-])=C2)C1	REAL300033438572	1	42	-1.0	-64.56	342.29	1.87	-62.69
O=C(CC1=NC([O-])=CS1)N1CCCC12CCN(C(=O)C1=NSNC1=O)C2	REAL300033438655	0	42	-1.0	-71.29	361.67	0.55	-70.74
CC1=CC(=O)C(C(=O)N2CCCC23CCN(C(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300033438744	0	44	-1.0	-61.51	361.01	5.02	-56.49
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300033438754	0	43	-1.0	-92.17	362.26	4.95	-87.22
CN1N=C(C(=O)N2CCCC23CCN(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300033438791	0	42	-1.0	-66.39	349.86	1.63	-64.76
N#CC1=CC=C([O-])C(C(=O)N2CCCC23CCN(C(=O)C2=NSNC2=O)C3)=C1	REAL300033438825	0	44	-1.0	-66.89	369.84	5.80	-61.09
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300033438902	0	43	-1.0	-62.75	354.19	4.29	-58.46
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300033438902	1	43	-1.0	-62.75	354.19	4.29	-58.46
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300033438943	0	41	-1.0	-60.31	345.37	-0.99	-61.30
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300033438943	1	41	-1.0	-55.26	345.96	-0.20	-55.46
NC1=NC=C(C(=O)N2CCCC23CCN(C(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300033438972	1	43	-1.0	-59.72	352.79	0.77	-58.95
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=CC=NC=C2[O-])C1	REAL300033439043	0	42	-1.0	-63.28	343.36	2.81	-60.47
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=NSNC1=O)C2	REAL300033439048	0	39	-1.0	-60.46	326.62	0.83	-59.63
CC1=C([O-])N=C(C(=O)N2CCCC23CCN(C(=O)C2=NSNC2=O)C3)S1	REAL300033439061	1	42	-1.0	-63.77	359.29	2.11	-61.66
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300033439148	0	43	-1.0	-57.63	353.79	-0.14	-57.77
CCN1[N-]C(C(=O)N2CCCC23CCN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033439188	0	46	-1.0	-59.96	376.26	3.28	-56.68
CN1[N-]C(C(=O)N2CCCC23CCN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033439200	0	43	-1.0	-58.81	354.36	2.39	-56.42
O=C(CC1=CC(=O)N[N-]1)N1CCCC12CCN(C(=O)C1=NSNC1=O)C2	REAL300033439265	1	43	-1.0	-63.49	355.81	1.28	-62.21
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300033439269	1	43	-1.0	-62.90	354.18	4.33	-58.57
CC1=CN=C(C(=O)N2CCCC23CCN(C(=O)C2=NSNC2=O)C3)C([O-])=C1	REAL300033439321	1	45	-1.0	-68.14	365.06	4.74	-63.40
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=CC([O-])=CS2)C1	REAL300033439333	0	40	-1.0	-68.98	339.20	2.43	-66.55
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300033439342	0	43	-1.0	-66.94	362.99	5.22	-61.72
CN1[N-]C(C(=O)N2CCC3(CCCN3C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033439436	0	43	-1.0	-68.59	354.40	2.19	-66.40
O=C(C1=NSNC1=O)N1CCCC12CCN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300033439531	0	41	-1.0	-61.54	345.23	-1.22	-62.76
O=C(C1=NSNC1=O)N1CCCC12CCN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300033439531	1	41	-1.0	-61.54	345.23	-1.22	-62.76
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=NSNC2=O)C1	REAL300033439637	0	39	-1.0	-68.17	326.66	0.63	-67.54
O=C(C1=NSNC1=O)N1CC(C2CCCN(C(=O)C3=COC(=O)[N-]3)C2)C1	REAL300033440377	1	42	-1.0	-55.19	359.12	1.33	-53.86
O=C(CC1=CC(=O)N[N-]1)N1CCCC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033440455	1	46	-1.0	-68.46	387.70	1.64	-66.82
CN1N=C(C(=O)N2CCCC(C3CN(C(=O)C4=NSNC4=O)C3)C2)[N-]C1=O	REAL300033440464	0	45	-1.0	-59.63	380.91	1.39	-58.24
O=C(C1=NSNC1=O)N1CC(C2CCCN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300033440496	0	44	-1.0	-52.13	371.56	2.71	-49.42
O=C(C1=NSNC1=O)N1CC(C2CCCN(C(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300033440530	0	43	-1.0	-57.44	363.62	1.24	-56.20
O=C(C1=NSNC1=O)N1CC(C2CCCN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300033440701	0	42	-1.0	-55.74	358.77	0.63	-55.11
O=C(C1=NSNC1=O)N1CCCC(C2CN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300033440995	1	45	-1.0	-70.33	376.33	4.64	-65.69
O=C(C1=COC(=O)[N-]1)N1CC(C2CCCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033441470	1	42	-1.0	-61.12	359.82	0.48	-60.64
O=C(C1=NSNC1=O)N1CCCC(C2CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300033441541	0	44	-1.0	-60.29	366.38	3.83	-56.46
O=C(C1=CC(=O)N[N-]1)N1CC(C2CCCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033441600	0	43	-1.0	-59.25	364.86	1.00	-58.25
O=C(C1=NC(=O)N[N-]1)N1CC(C2CCCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033441634	0	42	-1.0	-56.19	358.91	0.01	-56.18
O=C(C1=NSNC1=O)N1CCCC(C2CN(C(=O)C3=CN=CC([O-])=C3)C2)C1	REAL300033441742	1	45	-1.0	-61.63	373.39	2.36	-59.27
CN1N=C(C(=O)N2CC(C3CCCN(C(=O)C4=NSNC4=O)C3)C2)[N-]C1=O	REAL300033441850	0	45	-1.0	-65.49	382.11	1.24	-64.25
O=C(C1=NSNC1=O)N1CCCC(C2CN(C(=O)C3=CC=NC=C3[O-])C2)C1	REAL300033441980	0	45	-1.0	-73.53	372.21	4.04	-69.49
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033441983	0	42	-1.0	-63.41	359.43	1.35	-62.06
CN1[N-]C(C(=O)N2CC(C3CCCN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300033442070	0	46	-1.0	-61.25	387.17	2.89	-58.36
O=C(CC1=CC(=O)N[N-]1)N1CC(C2CCCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033442116	1	46	-1.0	-64.35	386.70	1.63	-62.72
O=C(C1=CC([O-])=CS1)N1CC(C2CCCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033442160	0	43	-1.0	-69.34	371.66	3.29	-66.05
CN1[N-]C(C(=O)N2CCCC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300033442219	0	46	-1.0	-60.20	386.35	2.93	-57.27
O=C(C1=NSNC1=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300033442328	0	42	-1.0	-58.52	358.33	1.19	-57.33
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300033443524	0	37	-1.0	-64.04	335.27	-3.65	-67.69
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1	REAL300033443598	0	39	-1.0	-51.48	349.44	-1.98	-53.46
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)C=C1	REAL300033444128	0	39	-1.0	-76.09	346.91	2.38	-73.71
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)NC([O-])=C1	REAL300033444234	0	39	-1.0	-45.82	346.87	-2.40	-48.22
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=COC(=O)[N-]1	REAL300033444245	1	35	-1.0	-55.05	318.89	-2.56	-57.61
O=C([N-][C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1)C(F)(F)C(F)(F)F	REAL300033444329	0	34	-1.0	-49.93	321.57	0.68	-49.25
CCN1[N-]C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033444406	0	42	-1.0	-60.42	368.04	1.04	-59.38
O=C(CC1=CC(=O)N[N-]1)N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1	REAL300033444413	1	39	-1.0	-69.55	344.16	-0.99	-70.54
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=S)N1[O-]	REAL300033444426	0	39	-1.0	-97.97	354.68	4.50	-93.47
CN1N=C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033444449	0	38	-1.0	-63.69	340.82	-1.41	-65.10
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=C[N-]N=CC1=O	REAL300033444529	0	37	-1.0	-48.61	328.00	0.58	-48.03
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300033444614	0	36	-1.0	-42.96	323.51	-1.61	-44.57
C[PH](C)([O-])C(=O)C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1	REAL300033444619	0	41	-1.0	-55.65	356.40	-0.29	-55.94
O=C(CCC1=NC(=O)NN1)N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1	REAL300033444644	0	41	-1.0	-66.39	359.42	-1.95	-68.34
O=C(CCC1=NC(=O)[N-]N1)N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1	REAL300033444644	1	41	-1.0	-66.39	359.42	-1.95	-68.34
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=CC=CN([O-])C1=O	REAL300033444647	0	39	-1.0	-63.69	344.08	2.66	-61.03
CC1SC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300033444672	0	38	-1.0	-60.17	350.26	-1.50	-61.67
CC1=C([O-])N=C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=NSNC3=O)C2)S1	REAL300033444672	1	38	-1.0	-60.17	350.26	-1.50	-61.67
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N([O-])C=C1	REAL300033444701	0	39	-1.0	-76.43	346.50	2.46	-73.97
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300033444731	0	39	-1.0	-93.68	343.57	3.46	-90.22
O=C(C[N-]C(=O)C(F)(F)F)N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1	REAL300033444842	0	38	-1.0	-57.28	353.61	-1.72	-59.00
O=C(CC1=NC([O-])=CS1)N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1	REAL300033444885	0	38	-1.0	-64.02	350.28	-1.67	-65.69
CC1=CC(=O)C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033445098	0	40	-1.0	-61.26	352.24	2.18	-59.08
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)N[N-]1	REAL300033445111	0	35	-1.0	-55.20	318.09	-2.90	-58.10
COC1=NC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300033445223	0	41	-1.0	-61.93	364.21	-3.59	-65.52
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300033445478	1	38	-1.0	-67.96	335.63	2.09	-65.87
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300033445595	0	37	-1.0	-64.52	336.23	-3.92	-68.44
O=C(CN1C(=O)[N-]NC1=O)N1C[C@H](F)C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033445736	0	39	-1.0	-66.32	352.24	-2.23	-68.55
N#CC1=CC([O-])=CC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)=C1	REAL300033446940	1	40	-1.0	-61.48	364.89	1.79	-59.69
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=COC(=O)[N-]2)C1)C1=NSNC1=O	REAL300033447032	1	35	-1.0	-54.85	318.62	-1.45	-56.30
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@H](F)C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033447095	0	38	-1.0	-58.25	356.67	-1.93	-60.18
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=NSNC1=O	REAL300033447116	1	39	-1.0	-65.41	349.40	1.49	-63.92
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=NSNC1=O	REAL300033447122	0	38	-1.0	-57.86	345.95	0.88	-56.98
N#CC1=CC=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)C=C1[O-]	REAL300033447127	1	40	-1.0	-67.30	363.65	1.84	-65.46
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@H](F)C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033447144	0	40	-1.0	-72.37	362.59	-3.34	-75.71
CC1=CC=C([O-])C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)=N1	REAL300033447199	1	41	-1.0	-71.32	359.85	2.11	-69.21
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=C[N-]N=CC2=O)C1)C1=NSNC1=O	REAL300033447214	0	37	-1.0	-51.41	331.18	-0.11	-51.52
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=NSNC1=O	REAL300033447222	0	39	-1.0	-80.14	349.73	1.76	-78.38
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=NSNC1=O	REAL300033447303	1	39	-1.0	-75.31	350.01	1.48	-73.83
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300033447393	0	36	-1.0	-57.20	323.28	-1.54	-58.74
C[PH](C)([O-])C(=O)C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033447399	0	41	-1.0	-58.49	362.59	-0.62	-59.11
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=NSNC1=O	REAL300033447479	0	39	-1.0	-72.13	354.39	2.15	-69.98
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300033447501	0	35	-1.0	-55.44	317.99	-2.17	-57.61
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=NSNC1=O	REAL300033447506	0	39	-1.0	-86.27	353.07	2.07	-84.20
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(F)=CC=C2O)C1)C1=NSNC1=O	REAL300033447651	0	39	-1.0	-70.20	349.91	1.82	-68.38
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=NSNC1=O	REAL300033447651	1	39	-1.0	-70.20	349.91	1.82	-68.38
CC1=CC=NC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)=C1O	REAL300033447710	0	41	-1.0	-73.85	358.51	2.24	-71.61
CC1=CC=NC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300033447710	1	41	-1.0	-73.85	358.51	2.24	-71.61
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CN=CC(O)=C2)C1)C1=NSNC1=O	REAL300033447800	0	38	-1.0	-62.09	338.83	-0.38	-62.47
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CN=CC([O-])=C2)C1)C1=NSNC1=O	REAL300033447800	1	38	-1.0	-62.09	338.83	-0.38	-62.47
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=NSNC1=O	REAL300033447808	0	39	-1.0	-98.48	358.08	3.53	-94.95
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O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=NSNC1=O	REAL300033447962	0	39	-1.0	-65.79	353.78	1.67	-64.12
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O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=NSNC1=O	REAL300033447964	0	39	-1.0	-73.86	349.92	1.76	-72.10
CC1=CC=C(F)C([O-])=C1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033447994	0	42	-1.0	-69.43	373.19	2.23	-67.20
CC1=CC(=O)C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033448100	0	40	-1.0	-62.56	352.42	2.15	-60.41
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=NSNC1=O	REAL300033448121	0	39	-1.0	-94.59	346.94	2.62	-91.97
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CN1N=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033448182	0	38	-1.0	-64.24	340.70	-1.38	-65.62
N#CC1=CC=C([O-])C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)=C1	REAL300033448233	0	40	-1.0	-66.82	364.34	2.16	-64.66
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=C(F)C(O)=C2)C1)C1=NSNC1=O	REAL300033448359	0	39	-1.0	-60.41	350.23	1.48	-58.93
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=NSNC1=O	REAL300033448359	1	39	-1.0	-60.41	350.23	1.48	-58.93
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300033448432	0	37	-1.0	-59.90	341.13	-5.23	-65.13
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300033448432	1	37	-1.0	-55.09	341.10	-4.49	-59.58
COC1=NC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300033448549	0	41	-1.0	-61.61	362.14	-3.01	-64.62
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=NC=C2[O-])C1)C1=NSNC1=O	REAL300033448596	0	38	-1.0	-73.14	339.74	-0.16	-73.30
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NSNC1=O	REAL300033448601	0	35	-1.0	-61.43	318.18	-1.57	-63.00
CC1=C([O-])N=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300033448620	1	38	-1.0	-60.66	350.02	-0.76	-61.42
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=NSNC1=O	REAL300033448705	1	41	-1.0	-59.81	369.92	1.41	-58.40
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=NSNC1=O	REAL300033448754	0	39	-1.0	-56.28	353.85	-2.80	-59.08
CCN1[N-]C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033448807	0	42	-1.0	-61.02	368.04	1.12	-59.90
CN1[N-]C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033448824	0	39	-1.0	-59.95	346.07	0.15	-59.80
O=C(CC1=CC(=O)N[N-]1)N1C[C@H](F)C[C@H](NC(=O)C2=NSNC2=O)C1	REAL300033448942	1	39	-1.0	-69.41	347.18	-1.16	-70.57
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300033448947	1	39	-1.0	-65.22	348.39	1.44	-63.78
CC1=C(CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300033449004	0	45	-1.0	-69.09	390.80	1.31	-67.78
CC1=CN=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300033449035	1	41	-1.0	-69.48	357.07	2.72	-66.76
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC([O-])=CS2)C1)C1=NSNC1=O	REAL300033449052	0	36	-1.0	-68.61	333.72	0.33	-68.28
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=NSNC1=O	REAL300033449067	0	39	-1.0	-72.05	354.34	2.12	-69.93
CN1[N-]C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033449206	0	39	-1.0	-60.20	346.45	0.14	-60.06
O=C([N-][C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1)C(F)(F)C(F)F	REAL300033449289	1	34	-1.0	-51.84	315.47	0.55	-51.29
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)[N-]C(=O)N1	REAL300033449344	0	37	-1.0	-57.06	336.62	-4.66	-61.72
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)NC(=O)[N-]1	REAL300033449344	1	37	-1.0	-40.73	337.14	-3.90	-44.63
O=C(CN1[N-]C(=O)C=CC1=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1	REAL300033449471	0	41	-1.0	-66.09	365.29	-1.03	-67.12
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300033449478	0	35	-1.0	-60.51	318.24	-1.12	-61.63
O=C(NCCCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=COC(=O)[N-]1	REAL300033450224	1	44	-1.0	-54.41	373.93	-0.61	-55.02
O=C(CC1=CC(=O)N[N-]1)NCCCC1CCN(C(=O)C2=NSNC2=O)CC1	REAL300033450301	1	48	-1.0	-64.33	399.43	1.02	-63.31
CN1N=C(C(=O)NCCCC2CCN(C(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300033450310	0	47	-1.0	-60.77	395.83	0.56	-60.21
O=C(NCCCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=C[N-]N=CC1=O	REAL300033450339	0	46	-1.0	-47.07	382.98	2.54	-44.53
O=C(NCCCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)N[N-]1	REAL300033450373	0	45	-1.0	-54.77	378.76	0.37	-54.40
O=C(NCCCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=NC(=O)N[N-]1	REAL300033450537	0	44	-1.0	-54.27	373.35	-0.91	-55.18
O=C(NCCCC1CCN(C(=O)C2=NC=CC=C2[O-])CC1)C1=NSNC1=O	REAL300033450828	1	47	-1.0	-68.58	390.61	4.04	-64.54
O=C(NCCCC1CCN(C(=O)C2=COC(=O)[N-]2)CC1)C1=NSNC1=O	REAL300033451295	1	44	-1.0	-52.57	373.36	0.49	-52.08
O=C(NCCCC1CCN(C(=O)C2=C[N-]N=CC2=O)CC1)C1=NSNC1=O	REAL300033451362	0	46	-1.0	-49.89	386.04	1.87	-48.02
O=C(NCCCC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C1=NSNC1=O	REAL300033451419	0	45	-1.0	-54.99	378.09	0.39	-54.60
O=C(NCCCC1CCN(C(=O)C2=NC(=O)N[N-]2)CC1)C1=NSNC1=O	REAL300033451452	0	44	-1.0	-52.86	372.87	-0.23	-53.09
O=C(NCCCC1CCN(C(=O)C2=CN=CC([O-])=C2)CC1)C1=NSNC1=O	REAL300033451557	1	47	-1.0	-54.86	393.91	1.59	-53.27
CN1N=C(C(=O)N2CCC(CCCNC(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300033451661	0	47	-1.0	-62.24	395.78	0.56	-61.68
O=C(NCCCC1CCN(C(=O)C2=CC=NC=C2[O-])CC1)C1=NSNC1=O	REAL300033451781	0	47	-1.0	-69.18	393.60	1.74	-67.44
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NSNC1=O	REAL300033451783	0	44	-1.0	-60.37	373.40	0.49	-59.88
CN1[N-]C(C(=O)N2CCC(CCCNC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300033451865	0	48	-1.0	-57.89	400.91	2.10	-55.79
O=C(CC1=CC(=O)N[N-]1)N1CCC(CCCNC(=O)C2=NSNC2=O)CC1	REAL300033451910	1	48	-1.0	-65.16	402.23	0.80	-64.36
O=C(NCCCC1CCN(C(=O)C2=CC([O-])=CS2)CC1)C1=NSNC1=O	REAL300033451953	0	45	-1.0	-66.52	388.75	2.30	-64.22
CN1[N-]C(C(=O)NCCCC2CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300033452010	0	48	-1.0	-57.45	401.58	2.09	-55.36
O=C(NCCCC1CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)[N-]O1	REAL300033452113	0	44	-1.0	-59.14	373.50	0.86	-58.28
CC1(C)C(NC(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033453537	0	40	-1.0	-54.01	345.22	-2.95	-56.96
CC1(C)C(NC(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)C1=NSNC1=O	REAL300033453606	0	42	-1.0	-54.34	359.55	-1.31	-55.65
CC1(C)C(NC(=O)C2=CN([O-])C(=O)C=C2)CCN1C(=O)C1=NSNC1=O	REAL300033454100	0	42	-1.0	-66.84	356.48	3.17	-63.67
CC1(C)C(NC(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)C1=NSNC1=O	REAL300033454195	0	42	-1.0	-49.44	356.86	-1.75	-51.19
CC1(C)C(NC(=O)C2=COC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033454206	1	38	-1.0	-51.06	328.83	-1.84	-52.90
CCN1[N-]C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2(C)C)=CC1=O	REAL300033454354	0	45	-1.0	-53.03	378.21	1.77	-51.26
CC1(C)C(NC(=O)CC2=CC(=O)N[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033454361	1	42	-1.0	-57.46	354.66	-0.15	-57.61
CC1(C)C(NC(=O)C2=CC=CC(=S)N2[O-])CCN1C(=O)C1=NSNC1=O	REAL300033454376	0	42	-1.0	-82.36	364.84	5.25	-77.11
CC1(C)C(NC(=O)CC2SC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033454385	0	42	-1.0	-49.50	367.45	-1.71	-51.21
CN1N=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2(C)C)[N-]C1=O	REAL300033454398	0	41	-1.0	-55.74	350.91	-0.66	-56.40
CC1(C)C(NC(=O)C2=C[N-]N=CC2=O)CCN1C(=O)C1=NSNC1=O	REAL300033454477	0	40	-1.0	-42.79	338.54	1.38	-41.41
CC1(C)C(NC(=O)C2=CC(=O)N[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033454562	0	39	-1.0	-49.93	333.65	-0.86	-50.79
CC1(C)C(NC(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)C1=NSNC1=O	REAL300033454566	0	44	-1.0	-48.86	367.80	0.65	-48.21
CC1(C)C(NC(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033454596	0	42	-1.0	-63.30	353.81	3.37	-59.93
CC1SC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2(C)C)=NC1=O	REAL300033454621	0	41	-1.0	-56.53	360.73	-0.63	-57.16
CC1=C([O-])N=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2(C)C)S1	REAL300033454621	1	41	-1.0	-56.53	360.73	-0.63	-57.16
CC1(C)C(NC(=O)C2=CC(=O)C=C(Cl)N2)CCN1C(=O)C1=NSNC1=O	REAL300033454633	0	41	-1.0	-46.88	363.81	2.42	-44.46
CC1(C)C(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033454633	1	41	-1.0	-46.88	363.81	2.42	-44.46
CC1(C)C(NC(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)C1=NSNC1=O	REAL300033454645	0	42	-1.0	-66.80	357.00	3.28	-63.52
CC1(C)C(NC(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)C1=NSNC1=O	REAL300033454674	0	42	-1.0	-78.65	353.73	4.20	-74.45
CC1(C)C(NC(=O)CC2=C([O-])N=C(N)S2)CCN1C(=O)C1=NSNC1=O	REAL300033454778	0	43	-1.0	-67.97	375.24	-1.71	-69.68
CC1(C)C(NC(=O)CC2=NC([O-])=CS2)CCN1C(=O)C1=NSNC1=O	REAL300033454816	0	41	-1.0	-67.73	360.51	-0.87	-68.60
CCC1=NC=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2(C)C)C(=O)N1	REAL300033454830	0	46	-1.0	-49.68	378.71	1.67	-48.01
CCC1=NC=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2(C)C)C(=O)[N-]1	REAL300033454830	1	46	-1.0	-49.68	378.71	1.67	-48.01
CC1=CC(=O)C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2(C)C)=N[N-]1	REAL300033455015	0	43	-1.0	-52.23	362.45	2.92	-49.31
CC1(C)C(NC(=O)C2=NC(=O)N[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033455028	0	38	-1.0	-50.24	328.26	-2.17	-52.41
CC1(C)C(NC(=O)C2=CN=C(C=N[O-])S2)CCN1C(=O)C1=NSNC1=O	REAL300033455116	0	41	-1.0	-63.34	369.25	0.82	-62.52
COC1=NC(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2(C)C)=CC(=O)[N-]1	REAL300033455128	0	44	-1.0	-54.42	374.38	-2.86	-57.28
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300033455380	1	41	-1.0	-62.54	345.54	2.76	-59.78
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300033455493	0	40	-1.0	-54.36	345.42	-2.89	-57.25
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300033455631	0	42	-1.0	-54.89	362.93	-1.39	-56.28
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300033456733	1	42	-1.0	-58.74	364.63	4.11	-54.63
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300033456756	1	43	-1.0	-46.71	370.65	2.51	-44.20
CCC1=NC=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2(C)C)C(=O)[N-]1	REAL300033456823	1	46	-1.0	-44.00	364.74	-1.58	-45.58
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=COC(=O)[N-]1	REAL300033456838	1	38	-1.0	-49.11	329.10	-0.84	-49.95
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300033456904	0	41	-1.0	-48.66	367.39	-1.11	-49.77
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300033456905	0	43	-1.0	-65.82	378.50	-1.91	-67.73
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C=C1F	REAL300033456924	1	42	-1.0	-54.56	356.39	2.10	-52.46
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300033456930	0	41	-1.0	-50.40	354.19	1.67	-48.73
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300033456936	1	43	-1.0	-58.58	369.94	2.57	-56.01
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300033456939	0	41	-1.0	-55.45	359.21	2.27	-53.18
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300033456951	0	43	-1.0	-58.66	373.18	-2.51	-61.17
CC1=CC=C([O-])C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2(C)C)=N1	REAL300033457005	1	44	-1.0	-63.36	367.14	3.34	-60.02
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300033457022	0	40	-1.0	-49.27	347.50	0.73	-48.54
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300033457029	0	42	-1.0	-66.10	356.84	3.34	-62.76
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC([O-])=C1F	REAL300033457104	1	42	-1.0	-64.44	357.08	2.14	-62.30
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300033457186	0	39	-1.0	-51.21	333.66	-0.84	-52.05
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300033457191	0	44	-1.0	-49.42	368.14	0.46	-48.96
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300033457265	0	42	-1.0	-67.31	355.20	2.69	-64.62
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300033457289	0	38	-1.0	-50.90	328.45	-1.60	-52.50
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300033457294	0	42	-1.0	-72.13	363.90	2.81	-69.32
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(F)=CC=C1O	REAL300033457429	0	42	-1.0	-58.13	354.33	3.63	-54.50
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300033457429	1	42	-1.0	-58.13	354.33	3.63	-54.50
CC1=CC=NC(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2(C)C)=C1O	REAL300033457487	0	44	-1.0	-60.49	366.18	3.55	-56.94
CC1=CC=NC(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2(C)C)=C1[O-]	REAL300033457487	1	44	-1.0	-60.49	366.18	3.55	-56.94
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=CC(O)=C1	REAL300033457579	0	41	-1.0	-56.29	344.36	0.28	-56.01
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=CC([O-])=C1	REAL300033457579	1	41	-1.0	-56.29	344.36	0.28	-56.01
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300033457589	0	42	-1.0	-78.72	375.18	3.41	-75.31
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300033457686	0	41	-1.0	-48.48	363.94	1.65	-46.83
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(O)C=C1Cl	REAL300033457723	0	42	-1.0	-53.32	365.80	2.54	-50.78
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300033457723	1	42	-1.0	-53.32	365.80	2.54	-50.78
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)CC1=NC([O-])=CS1	REAL300033457730	0	41	-1.0	-68.21	363.67	-1.04	-69.25
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300033457744	0	44	-1.0	-55.80	378.96	-0.40	-56.20
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300033457820	0	42	-1.0	-49.25	371.18	-1.92	-51.17
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300033457840	0	42	-1.0	-56.10	360.81	2.31	-53.79
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300033457846	0	42	-1.0	-60.83	366.64	3.82	-57.01
CC1=CC(=O)C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2(C)C)=N[N-]1	REAL300033457869	0	43	-1.0	-52.35	362.58	2.97	-49.38
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300033457888	0	42	-1.0	-74.87	364.08	2.79	-72.08
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300033457909	0	42	-1.0	-40.41	348.70	-2.25	-42.66
CN1N=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2(C)C)[N-]C1=O	REAL300033457950	0	41	-1.0	-56.15	352.31	-0.47	-56.62
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(C#N)C=C1[O-]	REAL300033457989	0	43	-1.0	-59.13	368.93	3.95	-55.18
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300033457996	0	43	-1.0	-54.92	368.83	4.00	-50.92
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300033458070	0	42	-1.0	-53.31	349.67	-0.48	-53.79
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300033458113	1	42	-1.0	-62.82	355.89	2.20	-60.62
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300033458128	1	42	-1.0	-60.34	366.46	3.76	-56.58
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300033458184	0	40	-1.0	-45.79	347.59	-2.43	-48.22
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300033458184	1	40	-1.0	-45.79	347.59	-2.43	-48.22
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(N)NC1=O	REAL300033458227	0	42	-1.0	-44.03	338.08	-3.32	-47.35
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300033458227	1	42	-1.0	-44.03	338.08	-3.32	-47.35
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300033458302	0	41	-1.0	-57.22	362.04	3.39	-53.83
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300033458346	0	38	-1.0	-53.51	328.97	-0.60	-54.11
CC1SC(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2(C)C)=NC1=O	REAL300033458364	0	41	-1.0	-57.44	360.39	-0.18	-57.62
CC1=C([O-])N=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2(C)C)S1	REAL300033458364	1	41	-1.0	-57.44	360.39	-0.18	-57.62
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C(=O)C1=CC=C(O)C=C1	REAL300033458447	0	44	-1.0	-52.51	371.75	2.44	-50.07
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300033458447	1	44	-1.0	-52.51	371.75	2.44	-50.07
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300033458463	0	41	-1.0	-63.71	367.91	0.27	-63.44
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)C=C(Cl)N1	REAL300033458480	0	41	-1.0	-46.24	363.84	2.82	-43.42
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300033458480	1	41	-1.0	-46.24	363.84	2.82	-43.42
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300033458498	0	42	-1.0	-48.59	355.35	-2.24	-50.83
CCN1[N-]C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2(C)C)=CC1=O	REAL300033458552	0	45	-1.0	-52.76	378.51	1.90	-50.86
CN1[N-]C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2(C)C)=CC1=O	REAL300033458566	0	42	-1.0	-52.12	356.78	0.97	-51.15
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300033458575	0	42	-1.0	-53.84	374.24	-1.11	-54.95
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)CC1=CC(=O)NN1	REAL300033458677	0	42	-1.0	-58.43	357.74	-0.30	-58.73
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)CC1=CC(=O)N[N-]1	REAL300033458677	1	42	-1.0	-58.43	357.74	-0.30	-58.73
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(O)C(F)=C1	REAL300033458682	0	42	-1.0	-55.99	355.89	2.22	-53.77
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300033458682	1	42	-1.0	-55.99	355.89	2.22	-53.77
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300033458718	0	42	-1.0	-55.99	362.55	2.18	-53.81
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300033458722	0	41	-1.0	-59.93	358.52	2.31	-57.62
CC1=CN=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2(C)C)C(O)=C1	REAL300033458771	0	44	-1.0	-63.94	366.99	3.40	-60.54
CC1=CN=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C2(C)C)C([O-])=C1	REAL300033458771	1	44	-1.0	-63.94	366.99	3.40	-60.54
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CS1	REAL300033458790	0	39	-1.0	-60.66	341.69	1.12	-59.54
CC1(C)C(NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300033458803	0	42	-1.0	-61.39	364.72	3.03	-58.36
CN1[N-]C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C2(C)C)=CC1=O	REAL300033458938	0	42	-1.0	-52.29	356.40	0.83	-51.46
CC1(C)C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033458945	0	42	-1.0	-59.90	370.34	-0.89	-60.79
CC1(C)C(NC(=O)C2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=NSNC1=O	REAL300033459069	0	40	-1.0	-53.54	347.00	-3.81	-57.35
CC1(C)C(NC(=O)C2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033459069	1	40	-1.0	-46.19	348.09	-3.07	-49.26
CC1(C)C(NC(=O)CN2[N-]C(=O)C=CC2=O)CCN1C(=O)C1=NSNC1=O	REAL300033459189	0	44	-1.0	-54.71	375.69	-0.18	-54.89
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NSNC1=O	REAL300033459195	0	38	-1.0	-53.72	328.63	-0.27	-53.99
CC1(C)C(NC(=O)C2=CN([O-])C(=O)NC2=O)CCN1C(=O)C1=NSNC1=O	REAL300033459204	0	42	-1.0	-51.11	359.79	0.94	-50.17
O=C(NCCC1CSCCN1C(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300033459831	1	39	-1.0	-57.64	344.28	-1.91	-59.55
O=C(CC1=CC(=O)N[N-]1)NCCC1CSCCN1C(=O)C1=NSNC1=O	REAL300033459897	1	43	-1.0	-61.30	369.39	-0.48	-61.78
CN1N=C(C(=O)NCCC2CSCCN2C(=O)C2=NSNC2=O)[N-]C1=O	REAL300033459904	0	42	-1.0	-63.75	365.99	-0.78	-64.53
O=C(NCCC1CSCCN1C(=O)C1=NSNC1=O)C1=C[N-]N=CC1=O	REAL300033459926	0	41	-1.0	-52.64	353.33	1.24	-51.40
O=C(NCCC1CSCCN1C(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300033459956	0	40	-1.0	-55.97	348.71	-1.10	-57.07
O=C(NCCC1CSCCN1C(=O)C1=NSNC1=O)C1=NC(=O)N[N-]1	REAL300033460088	0	39	-1.0	-57.29	343.26	-2.27	-59.56
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O=C(NCCC1CSCCN1C(=O)C1=CC(=O)N[N-]1)C1=NSNC1=O	REAL300033460764	0	40	-1.0	-53.69	348.40	-0.72	-54.41
O=C(NCCC1CSCCN1C(=O)C1=NNC(=O)[N-]1)C1=NSNC1=O	REAL300033460781	0	39	-1.0	-57.85	343.10	-2.21	-60.06
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CN1N=C(C(=O)N2CCSCC2CCNC(=O)C2=NSNC2=O)[N-]C1=O	REAL300033460920	0	42	-1.0	-62.09	365.69	-0.69	-62.78
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CN1[N-]C(C(=O)N2CCSCC2CCNC(=O)C2=NSNC2=O)=CC1=O	REAL300033461061	0	43	-1.0	-57.37	370.90	0.81	-56.56
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CN1[N-]C(C(=O)NCCC2CSCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300033461158	0	43	-1.0	-60.49	371.48	0.72	-59.77
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C[C@@H]1[C@H](NC(=O)CN2C(=O)[N-]NC2=O)CCCN1C(=O)C1=NSNC1=O	REAL300033462485	0	42	-1.0	-56.87	353.46	-0.71	-57.58
C[C@@H]1[C@H](NC(=O)C2=CN([O-])C(=O)C=C2)CCCN1C(=O)C1=NSNC1=O	REAL300033463076	0	42	-1.0	-66.39	350.44	3.78	-62.61
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C[C@@H]1[C@H](NC(=O)C2=COC(=O)[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300033463201	1	38	-1.0	-58.08	323.08	-1.29	-59.37
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CCN1[N-]C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)[C@@H]2C)=CC1=O	REAL300033463371	0	45	-1.0	-58.52	372.34	2.34	-56.18
C[C@@H]1[C@H](NC(=O)CC2=CC(=O)N[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300033463379	1	42	-1.0	-58.72	348.35	0.27	-58.45
C[C@@H]1[C@H](NC(=O)C2=CC=CC(=S)N2[O-])CCCN1C(=O)C1=NSNC1=O	REAL300033463397	0	42	-1.0	-80.73	359.06	5.82	-74.91
C[C@@H]1[C@H](NC(=O)CC2SC(=O)[N-]C2=O)CCCN1C(=O)C1=NSNC1=O	REAL300033463406	0	42	-1.0	-50.42	361.60	-1.17	-51.59
C[C@@H]1[C@H](NC(=O)C2=NN(C)C(=O)[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300033463422	0	41	-1.0	-59.48	344.92	-0.15	-59.63
C[C@@H]1[C@H](NC(=O)C2=C[N-]N=CC2=O)CCCN1C(=O)C1=NSNC1=O	REAL300033463511	0	40	-1.0	-51.36	332.02	1.86	-49.50
C[C@@H]1[C@H](NC(=O)C2=CC(=O)N[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300033463610	0	39	-1.0	-55.41	327.91	-0.29	-55.70
C[C@@H]1[C@H](NC(=O)C(=O)[PH](C)(C)[O-])CCCN1C(=O)C1=NSNC1=O	REAL300033463615	0	44	-1.0	-55.54	362.00	1.19	-54.35
C[C@@H]1[C@H](NC(=O)C2=CC=CN([O-])C2=O)CCCN1C(=O)C1=NSNC1=O	REAL300033463646	0	42	-1.0	-72.83	348.10	3.95	-68.88
CC1SC(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)[C@@H]2C)=NC1=O	REAL300033463674	0	41	-1.0	-62.67	354.21	-0.24	-62.91
CC1=C([O-])N=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)[C@@H]2C)S1	REAL300033463674	1	41	-1.0	-62.67	354.21	-0.24	-62.91
C[C@@H]1[C@H](NC(=O)C2=CC(=O)C=C(Cl)N2)CCCN1C(=O)C1=NSNC1=O	REAL300033463688	0	41	-1.0	-50.49	357.83	2.93	-47.56
C[C@@H]1[C@H](NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300033463688	1	41	-1.0	-50.49	357.83	2.93	-47.56
C[C@@H]1[C@H](NC(=O)C2=CC(=O)N([O-])C=C2)CCCN1C(=O)C1=NSNC1=O	REAL300033463705	0	42	-1.0	-67.22	350.82	3.75	-63.47
C[C@@H]1[C@H](NC(=O)C2=CC=CC(=O)N2[O-])CCCN1C(=O)C1=NSNC1=O	REAL300033463738	0	42	-1.0	-78.89	347.94	4.78	-74.11
C[C@@H]1[C@H](NC(=O)CC2=C([O-])N=C(N)S2)CCCN1C(=O)C1=NSNC1=O	REAL300033463861	0	43	-1.0	-68.34	369.17	-1.27	-69.61
C[C@@H]1[C@H](NC(=O)CC2=NC([O-])=CS2)CCCN1C(=O)C1=NSNC1=O	REAL300033463906	0	41	-1.0	-67.62	354.36	-0.40	-68.02
CCC1=NC=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)[C@@H]2C)C(=O)N1	REAL300033463924	0	46	-1.0	-59.15	373.01	2.23	-56.92
CCC1=NC=C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)[C@@H]2C)C(=O)[N-]1	REAL300033463924	1	46	-1.0	-59.15	373.01	2.23	-56.92
CC1=CC(=O)C(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)[C@@H]2C)=N[N-]1	REAL300033464135	0	43	-1.0	-57.62	356.37	3.41	-54.21
C[C@@H]1[C@H](NC(=O)C2=NNC(=O)[N-]2)CCCN1C(=O)C1=NSNC1=O	REAL300033464150	0	38	-1.0	-57.93	322.29	-1.77	-59.70
C[C@@H]1[C@H](NC(=O)C2=CN=C(C=N[O-])S2)CCCN1C(=O)C1=NSNC1=O	REAL300033464261	0	41	-1.0	-64.28	363.17	1.29	-62.99
COC1=NC(C(=O)N[C@@H]2CCCN(C(=O)C3=NSNC3=O)[C@@H]2C)=CC(=O)[N-]1	REAL300033464274	0	44	-1.0	-57.36	368.53	-2.29	-59.65
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NC=CC=C1[O-]	REAL300033464530	1	41	-1.0	-56.16	339.63	3.37	-52.79
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300033464643	0	40	-1.0	-51.71	339.44	-2.47	-54.18
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300033464781	0	42	-1.0	-52.31	356.44	-0.84	-53.15
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300033465883	1	42	-1.0	-52.82	361.82	4.40	-48.42
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300033465906	1	43	-1.0	-44.93	366.13	3.10	-41.83
CCC1=NC=C(C(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)[C@H]2C)C(=O)[N-]1	REAL300033465973	1	46	-1.0	-45.89	374.64	1.58	-44.31
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=COC(=O)[N-]1	REAL300033465988	1	38	-1.0	-45.85	322.71	-0.03	-45.88
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300033466054	0	41	-1.0	-46.04	360.89	-0.54	-46.58
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300033466055	0	43	-1.0	-61.51	372.13	-1.34	-62.85
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C([O-])C=C1F	REAL300033466074	1	42	-1.0	-51.84	350.21	2.80	-49.04
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300033466080	0	41	-1.0	-48.67	348.13	2.05	-46.62
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300033466086	1	43	-1.0	-47.99	365.41	3.16	-44.83
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300033466089	0	41	-1.0	-50.91	355.46	2.57	-48.34
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300033466101	0	43	-1.0	-55.65	366.79	-1.96	-57.61
CC1=CC=C([O-])C(C(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)[C@H]2C)=N1	REAL300033466155	1	44	-1.0	-55.59	364.96	3.05	-52.54
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300033466172	0	40	-1.0	-40.16	333.29	1.32	-38.84
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300033466179	0	42	-1.0	-60.63	351.33	3.91	-56.72
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=CC([O-])=C1F	REAL300033466254	1	42	-1.0	-60.69	351.62	2.81	-57.88
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300033466336	0	39	-1.0	-46.35	327.48	-0.11	-46.46
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300033466341	0	44	-1.0	-45.19	362.41	1.25	-43.94
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300033466415	0	42	-1.0	-65.08	351.16	3.29	-61.79
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NNC(=O)[N-]1	REAL300033466439	0	38	-1.0	-50.01	322.35	-1.59	-51.60
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=CN([O-])C1=O	REAL300033466444	0	42	-1.0	-61.75	352.33	3.33	-58.42
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(F)=CC=C1O	REAL300033466579	0	42	-1.0	-52.42	351.48	3.96	-48.46
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300033466579	1	42	-1.0	-52.42	351.48	3.96	-48.46
CC1=CC=NC(C(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)[C@H]2C)=C1O	REAL300033466637	0	44	-1.0	-54.83	362.81	3.57	-51.26
CC1=CC=NC(C(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)[C@H]2C)=C1[O-]	REAL300033466637	1	44	-1.0	-54.83	362.81	3.57	-51.26
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CN=CC(O)=C1	REAL300033466729	0	41	-1.0	-53.09	340.22	0.85	-52.24
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CN=CC([O-])=C1	REAL300033466729	1	41	-1.0	-53.09	340.22	0.85	-52.24
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300033466739	0	42	-1.0	-79.51	359.99	4.98	-74.53
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300033466836	0	41	-1.0	-44.07	358.43	2.34	-41.73
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(O)C=C1Cl	REAL300033466873	0	42	-1.0	-50.52	358.41	3.24	-47.28
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300033466873	1	42	-1.0	-50.52	358.41	3.24	-47.28
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)CC1=NC([O-])=CS1	REAL300033466880	0	41	-1.0	-65.31	357.42	-0.49	-65.80
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300033466894	0	44	-1.0	-53.11	372.55	0.14	-52.97
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300033466970	0	42	-1.0	-45.63	364.74	-1.23	-46.86
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300033466990	0	42	-1.0	-53.83	356.23	2.88	-50.95
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300033466996	0	42	-1.0	-55.30	361.14	4.37	-50.93
CC1=CC(=O)C(C(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)[C@H]2C)=N[N-]1	REAL300033467019	0	43	-1.0	-48.17	356.62	3.41	-44.76
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300033467038	0	42	-1.0	-75.59	348.88	3.98	-71.61
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300033467059	0	42	-1.0	-43.16	361.21	1.09	-42.07
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300033467100	0	41	-1.0	-52.60	345.14	0.05	-52.55
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300033467146	0	43	-1.0	-50.34	364.36	4.41	-45.93
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300033467220	0	42	-1.0	-48.00	354.87	0.70	-47.30
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(F)C(O)=C1	REAL300033467263	0	42	-1.0	-51.49	351.46	2.78	-48.71
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300033467263	1	42	-1.0	-51.49	351.46	2.78	-48.71
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(Cl)C=C1O	REAL300033467278	0	42	-1.0	-56.08	360.25	4.49	-51.59
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300033467278	1	42	-1.0	-56.08	360.25	4.49	-51.59
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300033467334	0	40	-1.0	-52.06	345.49	-3.89	-55.95
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300033467334	1	40	-1.0	-42.60	341.80	-1.85	-44.45
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300033467377	1	42	-1.0	-47.92	350.62	-0.03	-47.95
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(F)C([O-])=C1F	REAL300033467407	0	42	-1.0	-61.63	356.19	2.85	-58.78
COC1=NC(C(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)[C@H]2C)=CC(=O)[N-]1	REAL300033467447	0	44	-1.0	-51.41	368.75	-1.62	-53.03
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300033467452	0	41	-1.0	-51.19	359.54	2.99	-48.20
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300033467483	0	42	-1.0	-47.51	361.25	3.27	-44.24
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=NC=C1[O-]	REAL300033467491	0	41	-1.0	-56.44	338.88	2.06	-54.38
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300033467496	0	38	-1.0	-51.79	322.49	-0.08	-51.87
CC1=C([O-])N=C(C(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)[C@H]2C)S1	REAL300033467514	1	41	-1.0	-51.27	354.39	0.60	-50.67
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300033467597	1	44	-1.0	-48.61	368.27	2.96	-45.65
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300033467613	0	41	-1.0	-62.95	362.43	0.79	-62.16
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300033467630	1	41	-1.0	-42.95	358.97	3.33	-39.62
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300033467648	0	42	-1.0	-45.86	351.35	-1.63	-47.49
CCN1[N-]C(C(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)[C@H]2C)=CC1=O	REAL300033467702	0	45	-1.0	-49.26	372.12	2.52	-46.74
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300033467716	0	42	-1.0	-48.69	350.42	1.57	-47.12
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300033467725	0	42	-1.0	-52.34	367.75	-0.49	-52.83
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)CC1=CC(=O)N[N-]1	REAL300033467827	1	42	-1.0	-55.14	351.44	0.26	-54.88
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300033467832	1	42	-1.0	-52.53	351.43	2.81	-49.72
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300033467868	0	42	-1.0	-53.20	357.64	2.90	-50.30
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300033467872	0	41	-1.0	-54.96	354.77	2.61	-52.35
CC1=C(CC(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)[C@H]2C)C(=O)N(C)[N-]1	REAL300033467886	0	48	-1.0	-56.72	394.25	2.67	-54.05
CC1=CN=C(C(=O)N2CCC[C@@H](NC(=O)C3=NSNC3=O)[C@H]2C)C([O-])=C1	REAL300033467921	1	44	-1.0	-57.46	361.27	3.96	-53.50
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CC([O-])=CS1	REAL300033467940	0	39	-1.0	-58.05	336.34	1.65	-56.40
C[C@@H]1[C@H](NC(=O)C2=NSNC2=O)CCCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300033467953	0	42	-1.0	-64.05	351.05	3.27	-60.78
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O=C(C1=CC(=O)N[N-]1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CC2CO	REAL300033479472	0	41	-1.0	-62.48	355.46	-3.26	-65.74
O=C(C1=NC(=O)N[N-]1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CC2CO	REAL300033479505	0	40	-1.0	-52.42	350.16	-4.31	-56.73
O=C(C1=CN=CC([O-])=C1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CC2CO	REAL300033479610	1	43	-1.0	-63.38	366.04	-2.07	-65.45
CN1N=C(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)CC3CO)[N-]C1=O	REAL300033479714	0	43	-1.0	-67.53	372.95	-3.08	-70.61
O=C(C1=CC=NC=C1[O-])N1CC2(C1)CN(C(=O)C1=NSNC1=O)CC2CO	REAL300033479834	0	43	-1.0	-77.72	363.79	-0.38	-78.10
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CC2CO	REAL300033479836	0	40	-1.0	-67.34	351.01	-2.96	-70.30
CN1[N-]C(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)CC3CO)=CC1=O	REAL300033479918	0	44	-1.0	-57.54	378.24	-1.56	-59.10
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CC2CO	REAL300033479963	1	44	-1.0	-67.75	378.80	-2.70	-70.45
O=C(C1=CC([O-])=CS1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CC2CO	REAL300033480006	0	41	-1.0	-71.94	363.25	-1.18	-73.12
CN1[N-]C(C(=O)N2CC(CO)C3(CN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300033480063	0	44	-1.0	-58.19	378.50	-1.63	-59.82
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300033480166	0	40	-1.0	-59.70	350.79	-3.18	-62.88
O=C(C1=NSNC1=O)N1CC(C2CCCCN(C(=O)C3=COC(=O)[N-]3)C2)C1	REAL300033480509	1	45	-1.0	-43.17	366.19	3.28	-39.89
O=C(C1=NSNC1=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300033480591	0	46	-1.0	-59.66	370.02	2.61	-57.05
O=C(C1=NSNC1=O)N1CC(C2CCCCN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300033480662	0	45	-1.0	-44.81	359.64	2.10	-42.71
O=C(C1=COC(=O)[N-]1)N1CC(C2CCCCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033481015	1	45	-1.0	-50.46	365.56	1.62	-48.84
O=C(C1=CC(=O)N[N-]1)N1CC(C2CCCCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033481069	0	46	-1.0	-49.35	366.84	2.14	-47.21
O=C(C1=NC(=O)N[N-]1)N1CC(C2CCCCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033481082	0	45	-1.0	-45.20	364.99	1.11	-44.09
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033481231	0	45	-1.0	-54.15	361.85	2.48	-51.67
O=C(C1=NSNC1=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300033481393	0	45	-1.0	-54.12	368.49	2.08	-52.04
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC2C1)C1=NNC(=O)[N-]C1=O	REAL300033482169	0	41	-1.0	-60.68	355.30	-2.69	-63.37
O=C(CN1C(=O)[N-]NC1=O)NC1CC2CN(C(=O)C3=NSNC3=O)CC2C1	REAL300033482220	0	43	-1.0	-61.25	369.31	-1.02	-62.27
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC2C1)C1=CN([O-])C(=O)C=C1	REAL300033482600	0	43	-1.0	-73.67	366.05	3.39	-70.28
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC2C1)C1=CC(=O)NC([O-])=C1	REAL300033482679	0	43	-1.0	-54.21	367.29	-1.53	-55.74
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC2C1)C1=COC(=O)[N-]1	REAL300033482690	1	39	-1.0	-51.89	338.60	-1.68	-53.57
CCN1[N-]C(C(=O)NC2CC3CN(C(=O)C4=NSNC4=O)CC3C2)=CC1=O	REAL300033482807	0	46	-1.0	-55.93	388.18	2.04	-53.89
O=C(CC1=CC(=O)N[N-]1)NC1CC2CN(C(=O)C3=NSNC3=O)CC2C1	REAL300033482814	1	43	-1.0	-64.95	364.30	0.03	-64.92
CN1N=C(C(=O)NC2CC3CN(C(=O)C4=NSNC4=O)CC3C2)[N-]C1=O	REAL300033482837	0	42	-1.0	-62.03	360.99	-0.41	-62.44
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC2C1)C1=C[N-]N=CC1=O	REAL300033482894	0	41	-1.0	-47.31	347.97	1.55	-45.76
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC2C1)C1=CC(=O)N[N-]1	REAL300033482959	0	40	-1.0	-51.81	343.43	-0.69	-52.50
C[PH](C)([O-])C(=O)C(=O)NC1CC2CN(C(=O)C3=NSNC3=O)CC2C1	REAL300033482964	0	45	-1.0	-55.43	383.04	0.60	-54.83
CN1[N-]C(CC(=O)NC2CC3CN(C(=O)C4=NSNC4=O)CC3C2)=CC1=O	REAL300033482966	0	46	-1.0	-67.19	387.13	1.73	-65.46
O=C(CCC1=NC(=O)[N-]N1)NC1CC2CN(C(=O)C3=NSNC3=O)CC2C1	REAL300033482985	1	45	-1.0	-65.07	379.35	-1.02	-66.09
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC2C1)C1=CC=CN([O-])C1=O	REAL300033482988	0	43	-1.0	-64.42	364.05	3.61	-60.81
CC1=C([O-])N=C(C(=O)NC2CC3CN(C(=O)C4=NSNC4=O)CC3C2)S1	REAL300033483009	1	42	-1.0	-60.99	370.29	-0.49	-61.48
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC2C1)C1=CC(=O)N([O-])C=C1	REAL300033483025	0	43	-1.0	-71.25	366.64	3.46	-67.79
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC2C1)C1=CC=CC(=O)N1[O-]	REAL300033483050	0	43	-1.0	-87.97	363.97	4.45	-83.52
O=C(CC1=NC([O-])=CS1)NC1CC2CN(C(=O)C3=NSNC3=O)CC2C1	REAL300033483164	0	42	-1.0	-77.06	370.15	-0.70	-77.76
CC1=CC(=O)C(C(=O)NC2CC3CN(C(=O)C4=NSNC4=O)CC3C2)=N[N-]1	REAL300033483318	0	44	-1.0	-58.25	372.46	3.17	-55.08
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC2C1)C1=NC(=O)N[N-]1	REAL300033483328	0	39	-1.0	-51.58	338.02	-1.98	-53.56
O=C(NC1CC2CN(C(=O)C3=NC=CC=C3[O-])CC2C1)C1=NSNC1=O	REAL300033483670	1	42	-1.0	-67.18	355.75	3.01	-64.17
O=C(NC1CC2CN(C(=O)C3=NNC(=O)[N-]C3=O)CC2C1)C1=NSNC1=O	REAL300033483768	0	41	-1.0	-59.05	355.21	-2.74	-61.79
O=C(CN1C(=O)[N-]NC1=O)N1CC2CC(NC(=O)C3=NSNC3=O)CC2C1	REAL300033483860	0	43	-1.0	-60.51	372.88	-1.31	-61.82
N#CC1=CC([O-])=CC(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)CC3C2)=C1	REAL300033484670	1	44	-1.0	-56.51	381.53	2.52	-53.99
O=C(NC1CC2CN(C(=O)C3=COC(=O)[N-]3)CC2C1)C1=NSNC1=O	REAL300033484737	1	39	-1.0	-51.60	338.62	-0.84	-52.44
O=C(NC1CC2CN(C(=O)C3=CC=C([O-])C=C3F)CC2C1)C1=NSNC1=O	REAL300033484806	1	43	-1.0	-58.09	367.21	2.23	-55.86
O=C(NC1CC2CN(C(=O)C3=CC([O-])=CC(=O)O3)CC2C1)C1=NSNC1=O	REAL300033484810	0	42	-1.0	-53.10	364.06	1.72	-51.38
N#CC1=CC=C(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)CC3C2)C=C1[O-]	REAL300033484813	1	44	-1.0	-51.94	381.41	2.57	-49.37
CC1=CC=C([O-])C(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)CC3C2)=N1	REAL300033484864	1	45	-1.0	-68.34	376.99	3.54	-64.80
O=C(NC1CC2CN(C(=O)C3=C[N-]N=CC3=O)CC2C1)C1=NSNC1=O	REAL300033484875	0	41	-1.0	-53.80	357.43	0.81	-52.99
O=C(NC1CC2CN(C(=O)C3=CC=CC(F)=C3[O-])CC2C1)C1=NSNC1=O	REAL300033484882	0	43	-1.0	-72.33	367.30	3.65	-68.68
O=C(NC1CC2CN(C(=O)C3=CC=CC([O-])=C3F)CC2C1)C1=NSNC1=O	REAL300033484946	1	43	-1.0	-69.23	367.55	2.32	-66.91
O=C(NC1CC2CN(C(=O)C3=CC(=O)N[N-]3)CC2C1)C1=NSNC1=O	REAL300033485018	0	40	-1.0	-53.28	343.48	-0.74	-54.02
C[PH](C)([O-])C(=O)C(=O)N1CC2CC(NC(=O)C3=NSNC3=O)CC2C1	REAL300033485023	0	45	-1.0	-54.48	382.76	0.38	-54.10
O=C(NC1CC2CN(C(=O)C3=CC(=O)N([O-])C=C3)CC2C1)C1=NSNC1=O	REAL300033485073	0	43	-1.0	-65.72	374.44	2.98	-62.74
O=C(NC1CC2CN(C(=O)C3=NC(=O)N[N-]3)CC2C1)C1=NSNC1=O	REAL300033485090	0	39	-1.0	-51.33	338.48	-1.40	-52.73
O=C(NC1CC2CN(C(=O)C3=CC=CN([O-])C3=O)CC2C1)C1=NSNC1=O	REAL300033485095	0	43	-1.0	-78.15	373.22	3.00	-75.15
O=C(NC1CC2CN(C(=O)C3=CC(F)=CC=C3O)CC2C1)C1=NSNC1=O	REAL300033485201	0	43	-1.0	-62.73	367.49	3.68	-59.05
O=C(NC1CC2CN(C(=O)C3=CC(F)=CC=C3[O-])CC2C1)C1=NSNC1=O	REAL300033485201	1	43	-1.0	-62.73	367.49	3.68	-59.05
CC1=CC=NC(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)CC3C2)=C1O	REAL300033485243	0	45	-1.0	-67.18	375.70	3.66	-63.52
CC1=CC=NC(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)CC3C2)=C1[O-]	REAL300033485243	1	45	-1.0	-67.18	375.70	3.66	-63.52
O=C(NC1CC2CN(C(=O)C3=CN=CC(O)=C3)CC2C1)C1=NSNC1=O	REAL300033485303	0	42	-1.0	-52.33	355.25	0.33	-52.00
O=C(NC1CC2CN(C(=O)C3=CN=CC([O-])=C3)CC2C1)C1=NSNC1=O	REAL300033485303	1	42	-1.0	-52.33	355.25	0.33	-52.00
O=C(CC1=NC([O-])=CS1)N1CC2CC(NC(=O)C3=NSNC3=O)CC2C1	REAL300033485396	0	42	-1.0	-71.56	373.26	-1.04	-72.60
CC1=CC(=O)C(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)CC3C2)=N[N-]1	REAL300033485502	0	44	-1.0	-56.81	372.36	3.12	-53.69
O=C(NC1CC2CN(C(=O)C3=CC=CC(=O)N3[O-])CC2C1)C1=NSNC1=O	REAL300033485517	0	43	-1.0	-75.98	373.86	2.83	-73.15
CN1N=C(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)CC3C2)[N-]C1=O	REAL300033485563	0	42	-1.0	-59.83	361.16	-0.47	-60.30
N#CC1=CC=C([O-])C(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)CC3C2)=C1	REAL300033485602	0	44	-1.0	-59.75	381.92	4.00	-55.75
O=C(NC1CC2CN(C(=O)C3=CC=C(F)C(O)=C3)CC2C1)C1=NSNC1=O	REAL300033485692	0	43	-1.0	-55.46	366.62	2.20	-53.26
O=C(NC1CC2CN(C(=O)C3=CC=C(F)C([O-])=C3)CC2C1)C1=NSNC1=O	REAL300033485692	1	43	-1.0	-55.46	366.62	2.20	-53.26
O=C(NC1CC2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)CC2C1)C1=NSNC1=O	REAL300033485742	0	41	-1.0	-53.20	356.75	-3.12	-56.32
O=C(NC1CC2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)CC2C1)C1=NSNC1=O	REAL300033485742	1	41	-1.0	-48.76	357.09	-2.40	-51.16
NC1=NC=C(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)CC3C2)C(=O)[N-]1	REAL300033485778	1	43	-1.0	-53.61	365.30	-0.46	-54.07
O=C(NC1CC2CN(C(=O)C3=CC=NC=C3[O-])CC2C1)C1=NSNC1=O	REAL300033485861	0	42	-1.0	-66.16	356.22	1.74	-64.42
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=NSNC1=O	REAL300033485866	0	39	-1.0	-62.83	339.24	-0.57	-63.40
CC1=C([O-])N=C(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)CC3C2)S1	REAL300033485882	1	42	-1.0	-56.30	370.43	0.00	-56.30
O=C(NC1CC2CN(C(=O)C3=CC(=O)NC([O-])=C3)CC2C1)C1=NSNC1=O	REAL300033485981	0	43	-1.0	-50.40	375.33	-1.90	-52.30
CCN1[N-]C(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)CC3C2)=CC1=O	REAL300033486023	0	46	-1.0	-56.94	388.02	1.90	-55.04
CN1[N-]C(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)CC3C2)=CC1=O	REAL300033486039	0	43	-1.0	-56.15	366.29	0.97	-55.18
O=C(CC1=CC(=O)N[N-]1)N1CC2CC(NC(=O)C3=NSNC3=O)CC2C1	REAL300033486120	1	43	-1.0	-61.56	367.41	-0.32	-61.88
O=C(NC1CC2CN(C(=O)C3=CC=C([O-])C(F)=C3)CC2C1)C1=NSNC1=O	REAL300033486124	1	43	-1.0	-60.04	366.58	2.23	-57.81
CC1=CN=C(C(=O)N2CC3CC(NC(=O)C4=NSNC4=O)CC3C2)C([O-])=C1	REAL300033486186	1	45	-1.0	-67.55	376.75	3.58	-63.97
O=C(NC1CC2CN(C(=O)C3=CC([O-])=CS3)CC2C1)C1=NSNC1=O	REAL300033486199	0	40	-1.0	-65.32	351.58	1.10	-64.22
O=C(NC1CC2CN(C(=O)C3=CN([O-])C(=O)C=C3)CC2C1)C1=NSNC1=O	REAL300033486210	0	43	-1.0	-64.86	373.68	2.99	-61.87
CN1[N-]C(C(=O)NC2CC3CN(C(=O)C4=NSNC4=O)CC3C2)=CC1=O	REAL300033486307	0	43	-1.0	-55.28	366.45	1.11	-54.17
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC2C1)C1=NC(=O)[N-]C(=O)N1	REAL300033486402	0	41	-1.0	-52.05	357.52	-2.91	-54.96
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC2C1)C1=NC(=O)NC(=O)[N-]1	REAL300033486402	1	41	-1.0	-52.05	357.52	-2.91	-54.96
O=C(NC1CC2CN(C(=O)C3=NSNC3=O)CC2C1)C1=CC(=O)[N-]O1	REAL300033486508	0	39	-1.0	-60.07	338.49	-0.12	-60.19
O=C(C1=NSNC1=O)N1CC2(C1)CCCCN(C(=O)C1=COC(=O)[N-]1)C2	REAL300033487248	1	42	-1.0	-57.50	344.71	1.65	-55.85
O=C(CC1=CC(=O)N[N-]1)N1CCCCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033487326	1	46	-1.0	-72.50	380.73	1.48	-71.02
CN1N=C(C(=O)N2CCCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)[N-]C1=O	REAL300033487335	0	45	-1.0	-59.93	369.41	1.25	-58.68
O=C(C1=NSNC1=O)N1CC2(C1)CCCCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300033487367	0	44	-1.0	-50.95	365.49	2.53	-48.42
O=C(C1=NSNC1=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300033487401	0	43	-1.0	-58.84	349.48	1.35	-57.49
O=C(C1=NSNC1=O)N1CC2(C1)CCCCN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300033487572	0	42	-1.0	-51.72	346.74	0.65	-51.07
O=C(C1=NSNC1=O)N1CCCCC2(CN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300033487866	1	45	-1.0	-80.52	363.64	4.69	-75.83
O=C(C1=COC(=O)[N-]1)N1CC2(C1)CCCCN(C(=O)C1=NSNC1=O)C2	REAL300033488341	1	42	-1.0	-73.38	347.08	0.54	-72.84
O=C(C1=NSNC1=O)N1CCCCC2(CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300033488412	0	44	-1.0	-71.14	354.30	3.92	-67.22
O=C(C1=CC(=O)N[N-]1)N1CC2(C1)CCCCN(C(=O)C1=NSNC1=O)C2	REAL300033488471	0	43	-1.0	-70.62	351.98	1.12	-69.50
O=C(C1=NC(=O)N[N-]1)N1CC2(C1)CCCCN(C(=O)C1=NSNC1=O)C2	REAL300033488505	0	42	-1.0	-73.34	346.71	0.08	-73.26
O=C(C1=NSNC1=O)N1CCCCC2(CN(C(=O)C3=CN=CC([O-])=C3)C2)C1	REAL300033488613	1	45	-1.0	-70.41	361.07	2.41	-68.00
CN1N=C(C(=O)N2CC3(C2)CCCCN(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300033488721	0	45	-1.0	-76.93	369.44	1.30	-75.63
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O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C1=NSNC1=O)C2	REAL300033488854	0	42	-1.0	-75.49	346.94	1.44	-74.05
CN1[N-]C(C(=O)N2CC3(C2)CCCCN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033488941	0	46	-1.0	-73.26	374.81	2.83	-70.43
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)CCCCN(C(=O)C1=NSNC1=O)C2	REAL300033488987	1	46	-1.0	-63.24	373.91	1.85	-61.39
O=C(C1=CC([O-])=CS1)N1CC2(C1)CCCCN(C(=O)C1=NSNC1=O)C2	REAL300033489031	0	43	-1.0	-65.24	358.48	3.23	-62.01
CN1[N-]C(C(=O)N2CCCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300033489090	0	46	-1.0	-55.52	374.15	2.85	-52.67
O=C(C1=NSNC1=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300033489199	0	42	-1.0	-58.27	346.62	1.14	-57.13
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O=C(CN1C(=O)[N-]NC1=O)NC1(C2CN(C(=O)C3=NSNC3=O)C2)CC1	REAL300033490364	0	40	-1.0	-58.19	355.49	-1.58	-59.77
O=C(NC1(C2CN(C(=O)C3=NSNC3=O)C2)CC1)C1=CN([O-])C(=O)C=C1	REAL300033490888	0	40	-1.0	-70.47	352.59	2.96	-67.51
O=C(NC1(C2CN(C(=O)C3=NSNC3=O)C2)CC1)C1=CC(=O)NC([O-])=C1	REAL300033490988	0	40	-1.0	-53.28	352.82	-1.99	-55.27
O=C(NC1(C2CN(C(=O)C3=NSNC3=O)C2)CC1)C1=COC(=O)[N-]1	REAL300033490999	1	36	-1.0	-54.78	324.89	-2.15	-56.93
CCN1[N-]C(C(=O)NC2(C3CN(C(=O)C4=NSNC4=O)C3)CC2)=CC1=O	REAL300033491153	0	43	-1.0	-56.75	374.27	1.48	-55.27
O=C(CC1=CC(=O)N[N-]1)NC1(C2CN(C(=O)C3=NSNC3=O)C2)CC1	REAL300033491160	1	40	-1.0	-61.46	350.54	-0.51	-61.97
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O=C(CC1SC(=O)[N-]C1=O)NC1(C2CN(C(=O)C3=NSNC3=O)C2)CC1	REAL300033491184	0	40	-1.0	-52.61	363.75	-1.97	-54.58
CN1N=C(C(=O)NC2(C3CN(C(=O)C4=NSNC4=O)C3)CC2)[N-]C1=O	REAL300033491197	0	39	-1.0	-59.72	346.97	-0.95	-60.67
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C[PH](C)([O-])C(=O)C(=O)NC1(C2CN(C(=O)C3=NSNC3=O)C2)CC1	REAL300033491374	0	42	-1.0	-53.21	362.87	0.18	-53.03
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NC1=NC([O-])=C(CC(=O)NC2(C3CN(C(=O)C4=NSNC4=O)C3)CC2)S1	REAL300033491598	0	41	-1.0	-72.18	368.88	-2.34	-74.52
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CCC1=NC=C(C(=O)NC2(C3CN(C(=O)C4=NSNC4=O)C3)CC2)C(=O)[N-]1	REAL300033491652	1	44	-1.0	-53.34	374.96	1.38	-51.96
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CCC1=NC=C(C(=O)N2CC(C3(NC(=O)C4=NSNC4=O)CC3)C2)C(=O)[N-]1	REAL300033494058	1	44	-1.0	-57.38	383.80	0.79	-56.59
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NC1=NC([O-])=C(CC(=O)N2CC(C3(NC(=O)C4=NSNC4=O)CC3)C2)S1	REAL300033494148	0	41	-1.0	-70.00	371.73	-2.68	-72.68
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O=C(NC1(C2CN(C(=O)C3=CC=C([O-])C=C3F)C2)CC1)C1=NSNC1=O	REAL300033494173	1	40	-1.0	-54.78	352.80	1.83	-52.95
O=C(NC1(C2CN(C(=O)C3=CC([O-])=CC(=O)O3)C2)CC1)C1=NSNC1=O	REAL300033494179	0	39	-1.0	-51.96	350.11	1.23	-50.73
N#CC1=CC=C(C(=O)N2CC(C3(NC(=O)C4=NSNC4=O)CC3)C2)C=C1[O-]	REAL300033494186	1	41	-1.0	-59.78	365.07	2.12	-57.66
O=C(NC1(C2CN(C(=O)C3=CC(Cl)=NC=C3[O-])C2)CC1)C1=NSNC1=O	REAL300033494189	0	39	-1.0	-57.98	353.28	1.62	-56.36
O=C(CN1N=CC(=O)[N-]C1=O)N1CC(C2(NC(=O)C3=NSNC3=O)CC2)C1	REAL300033494207	0	41	-1.0	-62.32	366.41	-3.25	-65.57
CC1=CC=C([O-])C(C(=O)N2CC(C3(NC(=O)C4=NSNC4=O)CC3)C2)=N1	REAL300033494270	1	42	-1.0	-63.00	363.18	2.82	-60.18
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C[PH](C)([O-])C(=O)C(=O)N1CC(C2(NC(=O)C3=NSNC3=O)CC2)C1	REAL300033494507	0	42	-1.0	-50.43	361.16	-0.51	-50.94
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O=C(NC1(C2CN(C(=O)C3=C([O-])C=CC=C3Cl)C2)CC1)C1=NSNC1=O	REAL300033494631	1	40	-1.0	-55.74	368.60	2.50	-53.24
O=C(NC1(C2CN(C(=O)C3=CC=CN([O-])C3=O)C2)CC1)C1=NSNC1=O	REAL300033494635	0	40	-1.0	-73.78	359.02	2.56	-71.22
O=C(NC1(C2CN(C(=O)C3=C(F)C=CC(O)=C3F)C2)CC1)C1=NSNC1=O	REAL300033494664	0	40	-1.0	-55.37	365.22	2.07	-53.30
O=C(NC1(C2CN(C(=O)C3=C(F)C=CC([O-])=C3F)C2)CC1)C1=NSNC1=O	REAL300033494664	1	40	-1.0	-55.37	365.22	2.07	-53.30
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CC1=CC=NC(C(=O)N2CC(C3(NC(=O)C4=NSNC4=O)CC3)C2)=C1O	REAL300033494873	0	42	-1.0	-61.96	361.91	2.92	-59.04
CC1=CC=NC(C(=O)N2CC(C3(NC(=O)C4=NSNC4=O)CC3)C2)=C1[O-]	REAL300033494873	1	42	-1.0	-61.96	361.91	2.92	-59.04
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COC1=NC(C(=O)N2CC(C3(NC(=O)C4=NSNC4=O)CC3)C2)=CC(=O)[N-]1	REAL300033495890	0	42	-1.0	-55.38	368.91	-3.10	-58.48
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CCN1[N-]C(C(=O)N2CC(C3(NC(=O)C4=NSNC4=O)CC3)C2)=CC1=O	REAL300033496198	0	43	-1.0	-53.90	374.40	1.30	-52.60
CN1[N-]C(C(=O)N2CC(C3(NC(=O)C4=NSNC4=O)CC3)C2)=CC1=O	REAL300033496219	0	40	-1.0	-53.20	352.83	0.37	-52.83
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O=C(NC1(C2CN(C(=O)C3=CC=NC(Cl)=C3[O-])C2)CC1)C1=NSNC1=O	REAL300033496422	0	39	-1.0	-62.15	352.08	1.63	-60.52
CC1=C(CC(=O)N2CC(C3(NC(=O)C4=NSNC4=O)CC3)C2)C(=O)N(C)[N-]1	REAL300033496437	0	46	-1.0	-59.98	395.62	1.65	-58.33
CC1=CN=C(C(=O)N2CC(C3(NC(=O)C4=NSNC4=O)CC3)C2)C([O-])=C1	REAL300033496473	1	42	-1.0	-63.63	362.96	2.87	-60.76
O=C(NC1(C2CN(C(=O)C3=CC([O-])=CS3)C2)CC1)C1=NSNC1=O	REAL300033496496	0	37	-1.0	-61.43	337.11	0.79	-60.64
O=C(NC1(C2CN(C(=O)C3=CN([O-])C(=O)C=C3)C2)CC1)C1=NSNC1=O	REAL300033496512	0	40	-1.0	-67.95	349.98	2.24	-65.71
CN1[N-]C(C(=O)NC2(C3CN(C(=O)C4=NSNC4=O)C3)CC2)=CC1=O	REAL300033496662	0	40	-1.0	-56.08	352.46	0.55	-55.53
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CN(C(=O)C3=NSNC3=O)C2)CC1	REAL300033496669	0	40	-1.0	-58.70	366.84	-1.30	-60.00
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O=C(NC1(C2CN(C(=O)C3=NSNC3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300033496944	0	36	-1.0	-58.74	324.70	-0.65	-59.39
O=C(NC1(C2CN(C(=O)C3=NSNC3=O)C2)CC1)C1=CN([O-])C(=O)NC1=O	REAL300033496955	0	40	-1.0	-54.94	355.21	0.55	-54.39
O=C(C1=NSNC1=O)N1CCCC12CCN(C(=O)C1=COC(=O)[N-]1)CC2	REAL300033498766	1	42	-1.0	-59.55	332.57	1.00	-58.55
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CCCN2C(=O)C2=NSNC2=O)CC1	REAL300033498844	1	46	-1.0	-67.21	361.39	1.32	-65.89
CN1N=C(C(=O)N2CCC3(CCCN3C(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300033498853	0	45	-1.0	-68.39	354.89	1.10	-67.29
O=C(C1=NSNC1=O)N1CCCC12CCN(C(=O)C1=C[N-]N=CC1=O)CC2	REAL300033498885	0	44	-1.0	-55.77	340.39	2.38	-53.39
O=C(C1=NSNC1=O)N1CCCC12CCN(C(=O)C1=CC(=O)N[N-]1)CC2	REAL300033498919	0	43	-1.0	-61.64	337.44	0.93	-60.71
O=C(C1=NSNC1=O)N1CCCC12CCN(C(=O)C1=NC(=O)N[N-]1)CC2	REAL300033499090	0	42	-1.0	-61.02	332.35	0.31	-60.71
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=NC=CC=C2[O-])CC1	REAL300033499384	1	45	-1.0	-66.58	349.58	4.45	-62.13
O=C(C1=COC(=O)[N-]1)N1CCCC12CCN(C(=O)C1=NSNC1=O)CC2	REAL300033499773	1	42	-1.0	-53.88	332.86	1.02	-52.86
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=C[N-]N=CC2=O)CC1	REAL300033499840	0	44	-1.0	-46.28	338.99	2.27	-44.01
O=C(C1=CC(=O)N[N-]1)N1CCCC12CCN(C(=O)C1=NSNC1=O)CC2	REAL300033499889	0	43	-1.0	-56.11	337.74	1.12	-54.99
O=C(C1=NC(=O)N[N-]1)N1CCCC12CCN(C(=O)C1=NSNC1=O)CC2	REAL300033499916	0	42	-1.0	-53.16	332.35	0.42	-52.74
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=CN=CC([O-])=C2)CC1	REAL300033500011	1	45	-1.0	-61.11	348.06	2.15	-58.96
CN1N=C(C(=O)N2CCCC23CCN(C(=O)C2=NSNC2=O)CC3)[N-]C1=O	REAL300033500100	0	45	-1.0	-63.52	355.21	1.31	-62.21
O=C(C1=NSNC1=O)N1CCC2(CCCN2C(=O)C2=CC=NC=C2[O-])CC1	REAL300033500209	0	45	-1.0	-66.03	345.85	3.43	-62.60
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=NSNC1=O)CC2	REAL300033500212	0	42	-1.0	-60.99	332.74	1.26	-59.73
CN1[N-]C(C(=O)N2CCCC23CCN(C(=O)C2=NSNC2=O)CC3)=CC1=O	REAL300033500290	0	46	-1.0	-58.72	360.46	2.83	-55.89
O=C(CC1=CC(=O)N[N-]1)N1CCCC12CCN(C(=O)C1=NSNC1=O)CC2	REAL300033500326	1	46	-1.0	-66.59	361.71	1.55	-65.04
O=C(C1=CC([O-])=CS1)N1CCCC12CCN(C(=O)C1=NSNC1=O)CC2	REAL300033500362	0	43	-1.0	-68.67	344.70	2.90	-65.77
CN1[N-]C(C(=O)N2CCC3(CCCN3C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300033500418	0	46	-1.0	-64.79	360.26	2.63	-62.16
O=C(C1=NSNC1=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300033500527	0	42	-1.0	-64.23	332.52	0.98	-63.25
O=C(C1=NSNC1=O)N1CCC2(C1)CN(C(=O)C1=COC(=O)[N-]1)CCO2	REAL300033501235	1	40	-1.0	-58.32	339.58	-0.90	-59.22
O=C(CC1=CC(=O)N[N-]1)N1CCOC2(CCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033501312	1	44	-1.0	-61.43	369.31	-0.66	-62.09
CN1N=C(C(=O)N2CCOC3(CCN(C(=O)C4=NSNC4=O)C3)C2)[N-]C1=O	REAL300033501321	0	43	-1.0	-57.25	361.60	-0.77	-58.02
O=C(C1=NSNC1=O)N1CCC2(C1)CN(C(=O)C1=C[N-]N=CC1=O)CCO2	REAL300033501350	0	42	-1.0	-49.10	358.10	0.54	-48.56
O=C(C1=NSNC1=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)N[N-]1)CCO2	REAL300033501384	0	41	-1.0	-60.45	344.75	-0.98	-61.43
O=C(C1=NSNC1=O)N1CCC2(C1)CN(C(=O)C1=NC(=O)N[N-]1)CCO2	REAL300033501548	0	40	-1.0	-52.30	338.91	-1.57	-53.87
O=C(C1=NSNC1=O)N1CCOC2(CCN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300033501839	1	43	-1.0	-72.21	357.26	2.56	-69.65
O=C(C1=COC(=O)[N-]1)N1CCC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300033502306	1	40	-1.0	-54.87	340.77	-1.38	-56.25
O=C(C1=NSNC1=O)N1CCOC2(CCN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300033502373	0	42	-1.0	-41.59	346.03	0.15	-41.44
O=C(C1=CC(=O)N[N-]1)N1CCC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300033502430	0	41	-1.0	-50.28	344.31	-1.07	-51.35
O=C(C1=NC(=O)N[N-]1)N1CCC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300033502463	0	40	-1.0	-55.32	340.39	-1.98	-57.30
O=C(C1=NSNC1=O)N1CCOC2(CCN(C(=O)C3=CN=CC([O-])=C3)C2)C1	REAL300033502568	1	43	-1.0	-54.62	355.79	0.01	-54.61
CN1N=C(C(=O)N2CCC3(C2)CN(C(=O)C2=NSNC2=O)CCO3)[N-]C1=O	REAL300033502672	0	43	-1.0	-64.31	363.10	-0.97	-65.28
O=C(C1=NSNC1=O)N1CCOC2(CCN(C(=O)C3=CC=NC=C3[O-])C2)C1	REAL300033502792	0	43	-1.0	-63.53	352.22	1.61	-61.92
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300033502794	0	40	-1.0	-54.56	339.31	-0.91	-55.47
CN1[N-]C(C(=O)N2CCC3(C2)CN(C(=O)C2=NSNC2=O)CCO3)=CC1=O	REAL300033502876	0	44	-1.0	-52.76	367.06	0.64	-52.12
O=C(CC1=CC(=O)N[N-]1)N1CCC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300033502921	1	44	-1.0	-64.89	368.39	-0.66	-65.55
O=C(C1=CC([O-])=CS1)N1CCC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300033502964	0	41	-1.0	-61.17	351.67	0.86	-60.31
CN1[N-]C(C(=O)N2CCOC3(CCN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300033503021	0	44	-1.0	-54.06	367.24	0.76	-53.30
O=C(C1=NSNC1=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300033503124	0	40	-1.0	-64.45	339.69	-0.90	-65.35
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300033503855	0	43	-1.0	-56.83	365.28	-2.60	-59.43
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)CN1C(=O)[N-]NC1=O	REAL300033503904	0	45	-1.0	-58.38	376.07	-0.76	-59.14
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300033504250	0	45	-1.0	-72.24	372.61	3.83	-68.41
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300033504325	0	45	-1.0	-50.31	376.82	-1.38	-51.69
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=COC(=O)[N-]1	REAL300033504336	1	41	-1.0	-49.05	348.89	-1.54	-50.59
CCN1[N-]C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2C)=CC1=O	REAL300033504441	0	48	-1.0	-54.17	398.27	2.09	-52.08
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)CC1=CC(=O)N[N-]1	REAL300033504448	1	45	-1.0	-63.59	370.64	0.39	-63.20
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=NN(C)C(=O)[N-]1	REAL300033504467	0	44	-1.0	-57.18	367.65	-0.15	-57.33
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=C[N-]N=CC1=O	REAL300033504519	0	43	-1.0	-41.85	357.94	1.60	-40.25
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC(=O)N[N-]1	REAL300033504577	0	42	-1.0	-50.52	350.40	-0.35	-50.87
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C(=O)[PH](C)(C)[O-]	REAL300033504582	0	47	-1.0	-49.15	383.88	1.23	-47.92
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)CCC1=NC(=O)NN1	REAL300033504600	0	47	-1.0	-62.31	386.32	-0.68	-62.99
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)CCC1=NC(=O)[N-]N1	REAL300033504600	1	47	-1.0	-62.31	386.32	-0.68	-62.99
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC=CN([O-])C1=O	REAL300033504602	0	45	-1.0	-57.13	373.89	3.69	-53.44
CC1SC(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2C)=NC1=O	REAL300033504621	0	44	-1.0	-54.93	380.52	-0.40	-55.33
CC1=C([O-])N=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2C)S1	REAL300033504621	1	44	-1.0	-54.93	380.52	-0.40	-55.33
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300033504636	0	45	-1.0	-71.45	373.41	3.72	-67.73
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300033504658	0	45	-1.0	-85.84	369.83	4.80	-81.04
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)CC1=NC([O-])=CS1	REAL300033504760	0	44	-1.0	-74.98	376.49	-0.32	-75.30
CC1=CC(=O)C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)CC2C)=N[N-]1	REAL300033504899	0	46	-1.0	-53.71	382.44	3.25	-50.46
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=NNC(=O)[N-]1	REAL300033504909	0	41	-1.0	-55.25	348.47	-1.98	-57.23
CC1CN(C(=O)C2=NC=CC=C2[O-])CCC1CNC(=O)C1=NSNC1=O	REAL300033505244	1	44	-1.0	-68.05	364.36	2.84	-65.21
CC1CN(C(=O)C2=NNC(=O)[N-]C2=O)CCC1CNC(=O)C1=NSNC1=O	REAL300033505333	0	43	-1.0	-60.34	365.44	-2.69	-63.03
CC1CN(C(=O)CN2C(=O)[N-]NC2=O)CCC1CNC(=O)C1=NSNC1=O	REAL300033505420	0	45	-1.0	-62.02	382.45	-1.18	-63.20
CC1CN(C(=O)C2=COC(=O)[N-]2)CCC1CNC(=O)C1=NSNC1=O	REAL300033506216	1	41	-1.0	-50.96	348.61	-0.40	-51.36
CC1CN(C(=O)C2=CC=C([O-])C=C2F)CCC1CNC(=O)C1=NSNC1=O	REAL300033506278	1	45	-1.0	-59.07	377.90	2.49	-56.58
CC1CN(C(=O)C2=CC([O-])=CC(=O)O2)CCC1CNC(=O)C1=NSNC1=O	REAL300033506281	0	44	-1.0	-54.26	376.07	1.92	-52.34
CC1=CC=C([O-])C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C(C)C2)=N1	REAL300033506328	1	47	-1.0	-68.40	383.43	4.00	-64.40
CC1CN(C(=O)C2=C[N-]N=CC2=O)CCC1CNC(=O)C1=NSNC1=O	REAL300033506338	0	43	-1.0	-46.98	357.25	1.25	-45.73
CC1CN(C(=O)C2=CC=CC(F)=C2[O-])CCC1CNC(=O)C1=NSNC1=O	REAL300033506345	0	45	-1.0	-75.62	377.32	3.72	-71.90
CC1CN(C(=O)C2=CC=CC([O-])=C2F)CCC1CNC(=O)C1=NSNC1=O	REAL300033506400	1	45	-1.0	-72.29	377.62	2.50	-69.79
CC1CN(C(=O)C2=CC(=O)N[N-]2)CCC1CNC(=O)C1=NSNC1=O	REAL300033506465	0	42	-1.0	-53.97	349.65	-0.20	-54.17
CC1CN(C(=O)C(=O)[PH](C)(C)[O-])CCC1CNC(=O)C1=NSNC1=O	REAL300033506470	0	47	-1.0	-51.87	384.13	1.17	-50.70
CC1CN(C(=O)C2=CC(=O)N([O-])C=C2)CCC1CNC(=O)C1=NSNC1=O	REAL300033506516	0	45	-1.0	-66.13	380.19	3.44	-62.69
CC1CN(C(=O)C2=NC(=O)N[N-]2)CCC1CNC(=O)C1=NSNC1=O	REAL300033506531	0	41	-1.0	-51.25	348.22	-1.12	-52.37
CC1CN(C(=O)C2=CC=CN([O-])C2=O)CCC1CNC(=O)C1=NSNC1=O	REAL300033506535	0	45	-1.0	-63.24	377.47	2.97	-60.27
CC1CN(C(=O)C2=CC(F)=CC=C2O)CCC1CNC(=O)C1=NSNC1=O	REAL300033506632	0	45	-1.0	-64.44	380.14	2.87	-61.57
CC1CN(C(=O)C2=CC(F)=CC=C2[O-])CCC1CNC(=O)C1=NSNC1=O	REAL300033506632	1	45	-1.0	-64.44	380.14	2.87	-61.57
CC1=CC=NC(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C(C)C2)=C1O	REAL300033506673	0	47	-1.0	-67.49	384.69	3.55	-63.94
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CC1CN(C(=O)C2=CN=CC(O)=C2)CCC1CNC(=O)C1=NSNC1=O	REAL300033506728	0	44	-1.0	-61.16	368.21	0.55	-60.61
CC1CN(C(=O)C2=CN=CC([O-])=C2)CCC1CNC(=O)C1=NSNC1=O	REAL300033506728	1	44	-1.0	-61.16	368.21	0.55	-60.61
CC1CN(C(=O)CC2=NC([O-])=CS2)CCC1CNC(=O)C1=NSNC1=O	REAL300033506807	0	44	-1.0	-76.27	383.29	-0.82	-77.09
CC1=CC(=O)C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C(C)C2)=N[N-]1	REAL300033506903	0	46	-1.0	-57.37	378.59	3.46	-53.91
CC1CN(C(=O)C2=CC=CC(=O)N2[O-])CCC1CNC(=O)C1=NSNC1=O	REAL300033506918	0	45	-1.0	-73.88	379.20	3.21	-70.67
CC1CN(C(=O)C2=NN(C)C(=O)[N-]2)CCC1CNC(=O)C1=NSNC1=O	REAL300033506960	0	44	-1.0	-60.71	371.02	-0.33	-61.04
CC1CN(C(=O)C2=CC=C(F)C([O-])=C2)CCC1CNC(=O)C1=NSNC1=O	REAL300033507075	1	45	-1.0	-55.29	378.66	2.46	-52.83
CC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCC1CNC(=O)C1=NSNC1=O	REAL300033507122	0	43	-1.0	-51.86	367.33	-3.17	-55.03
CC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCC1CNC(=O)C1=NSNC1=O	REAL300033507122	1	43	-1.0	-51.86	367.33	-3.17	-55.03
CC1CN(C(=O)C2=CN=C(N)NC2=O)CCC1CNC(=O)C1=NSNC1=O	REAL300033507157	0	45	-1.0	-52.90	375.97	-0.40	-53.30
CC1CN(C(=O)C2=CN=C(N)[N-]C2=O)CCC1CNC(=O)C1=NSNC1=O	REAL300033507157	1	45	-1.0	-52.90	375.97	-0.40	-53.30
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=NSNC1=O	REAL300033507238	0	41	-1.0	-59.27	348.66	-0.40	-59.67
CC1SC(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C(C)C2)=NC1=O	REAL300033507253	0	44	-1.0	-55.86	380.72	0.30	-55.56
CC1=C([O-])N=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C(C)C2)S1	REAL300033507253	1	44	-1.0	-55.86	380.72	0.30	-55.56
CCN1[N-]C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C(C)C2)=CC1=O	REAL300033507383	0	48	-1.0	-57.09	398.03	2.14	-54.95
CC1CN(C(=O)C2=CC(=O)N(C)[N-]2)CCC1CNC(=O)C1=NSNC1=O	REAL300033507399	0	45	-1.0	-56.38	376.46	1.23	-55.15
CC1CN(C(=O)CC2=CC(=O)NN2)CCC1CNC(=O)C1=NSNC1=O	REAL300033507477	0	45	-1.0	-64.12	377.41	-0.10	-64.22
CC1CN(C(=O)CC2=CC(=O)N[N-]2)CCC1CNC(=O)C1=NSNC1=O	REAL300033507477	1	45	-1.0	-64.12	377.41	-0.10	-64.22
CC1CN(C(=O)C2=CC=C(O)C(F)=C2)CCC1CNC(=O)C1=NSNC1=O	REAL300033507481	0	45	-1.0	-57.67	378.65	2.51	-55.16
CC1CN(C(=O)C2=CC=C([O-])C(F)=C2)CCC1CNC(=O)C1=NSNC1=O	REAL300033507481	1	45	-1.0	-57.67	378.65	2.51	-55.16
CC1=CN=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C(C)C2)C(O)=C1	REAL300033507537	0	47	-1.0	-69.87	385.85	3.50	-66.37
CC1=CN=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C(C)C2)C([O-])=C1	REAL300033507537	1	47	-1.0	-69.87	385.85	3.50	-66.37
CC1CN(C(=O)C2=CC([O-])=CS2)CCC1CNC(=O)C1=NSNC1=O	REAL300033507549	0	42	-1.0	-66.49	359.10	1.62	-64.87
CC1CN(C(=O)C2=CN([O-])C(=O)C=C2)CCC1CNC(=O)C1=NSNC1=O	REAL300033507560	0	45	-1.0	-64.62	383.98	3.16	-61.46
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC(=O)N(C)[N-]1	REAL300033507651	0	45	-1.0	-53.44	376.54	1.16	-52.28
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300033507736	0	43	-1.0	-52.56	366.84	-3.61	-56.17
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300033507736	1	43	-1.0	-46.75	364.17	-2.66	-49.41
CC1CN(C(=O)C2=NSNC2=O)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300033507837	0	41	-1.0	-55.07	348.46	-0.07	-55.14
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CN1N=C(C(=O)NCC2CC3(CN(C(=O)C4=NSNC4=O)C3)CO2)[N-]C1=O	REAL300033508648	0	43	-1.0	-66.05	383.23	-2.55	-68.60
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O=C(NCC1CC2(CN(C(=O)C3=COC(=O)[N-]3)C2)CO1)C1=NSNC1=O	REAL300033509633	1	40	-1.0	-59.89	361.01	-3.27	-63.16
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O=C(NCC1CC2(CN(C(=O)C3=NC(=O)N[N-]3)C2)CO1)C1=NSNC1=O	REAL300033509790	0	40	-1.0	-59.70	360.57	-3.72	-63.42
O=C(NCC1CC2(CN(C(=O)C3=CN=CC([O-])=C3)C2)CO1)C1=NSNC1=O	REAL300033509895	1	43	-1.0	-56.38	376.18	-1.54	-57.92
CN1N=C(C(=O)N2CC3(C2)COC(CNC(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300033509999	0	43	-1.0	-64.72	383.22	-2.50	-67.22
O=C(NCC1CC2(CN(C(=O)C3=CC=NC=C3[O-])C2)CO1)C1=NSNC1=O	REAL300033510119	0	43	-1.0	-68.46	373.99	0.17	-68.29
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1=NSNC1=O	REAL300033510121	0	40	-1.0	-61.67	361.11	-2.45	-64.12
CN1[N-]C(C(=O)N2CC3(C2)COC(CNC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033510203	0	44	-1.0	-59.58	388.82	-1.04	-60.62
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)COC(CNC(=O)C1=NSNC1=O)C2	REAL300033510248	1	44	-1.0	-63.97	388.75	-2.10	-66.07
O=C(NCC1CC2(CN(C(=O)C3=CC([O-])=CS3)C2)CO1)C1=NSNC1=O	REAL300033510291	0	41	-1.0	-68.13	373.08	-0.60	-68.73
CN1[N-]C(C(=O)NCC2CC3(CN(C(=O)C4=NSNC4=O)C3)CO2)=CC1=O	REAL300033510348	0	44	-1.0	-57.31	388.35	-1.08	-58.39
O=C(NCC1CC2(CN(C(=O)C3=NSNC3=O)C2)CO1)C1=CC(=O)[N-]O1	REAL300033510451	0	40	-1.0	-58.86	360.27	-2.30	-61.16
O=C(NC1CCN(C(=O)C2=NSNC2=O)C12CCCC2)C1=COC(=O)[N-]1	REAL300033511478	1	42	-1.0	-49.20	348.33	-0.45	-49.65
O=C(CC1=CC(=O)N[N-]1)NC1CCN(C(=O)C2=NSNC2=O)C12CCCC2	REAL300033511548	1	46	-1.0	-56.80	378.16	1.19	-55.61
CN1N=C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C23CCCC3)[N-]C1=O	REAL300033511554	0	45	-1.0	-59.44	371.19	0.89	-58.55
O=C(NC1CCN(C(=O)C2=NSNC2=O)C12CCCC2)C1=C[N-]N=CC1=O	REAL300033511583	0	44	-1.0	-43.41	361.55	3.01	-40.40
O=C(NC1CCN(C(=O)C2=NSNC2=O)C12CCCC2)C1=CC(=O)N[N-]1	REAL300033511614	0	43	-1.0	-52.95	353.86	0.70	-52.25
O=C(NC1CCN(C(=O)C2=NSNC2=O)C12CCCC2)C1=NC(=O)N[N-]1	REAL300033511760	0	42	-1.0	-52.64	345.12	-0.45	-53.09
O=C(NC1CCN(C(=O)C2=NC=CC=C2[O-])C12CCCC2)C1=NSNC1=O	REAL300033512043	1	45	-1.0	-60.15	365.63	4.11	-56.04
O=C(NC1CCN(C(=O)C2=COC(=O)[N-]2)C12CCCC2)C1=NSNC1=O	REAL300033512432	1	42	-1.0	-49.25	348.28	0.50	-48.75
O=C(NC1CCN(C(=O)C2=C[N-]N=CC2=O)C12CCCC2)C1=NSNC1=O	REAL300033512499	0	44	-1.0	-49.06	366.97	2.22	-46.84
O=C(NC1CCN(C(=O)C2=CC(=O)N[N-]2)C12CCCC2)C1=NSNC1=O	REAL300033512548	0	43	-1.0	-52.82	352.18	0.86	-51.96
O=C(NC1CCN(C(=O)C2=NC(=O)N[N-]2)C12CCCC2)C1=NSNC1=O	REAL300033512575	0	42	-1.0	-48.85	348.52	-0.17	-49.02
O=C(NC1CCN(C(=O)C2=CN=CC([O-])=C2)C12CCCC2)C1=NSNC1=O	REAL300033512670	1	45	-1.0	-49.49	364.52	1.65	-47.84
CN1N=C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C23CCCC3)[N-]C1=O	REAL300033512759	0	45	-1.0	-55.56	371.19	0.76	-54.80
O=C(NC1CCN(C(=O)C2=CC=NC=C2[O-])C12CCCC2)C1=NSNC1=O	REAL300033512868	0	45	-1.0	-60.51	364.74	2.80	-57.71
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1=NSNC1=O	REAL300033512871	0	42	-1.0	-53.43	348.14	0.78	-52.65
CN1[N-]C(C(=O)N2CCC(NC(=O)C3=NSNC3=O)C23CCCC3)=CC1=O	REAL300033512949	0	46	-1.0	-51.91	375.87	2.33	-49.58
O=C(CC1=CC(=O)N[N-]1)N1CCC(NC(=O)C2=NSNC2=O)C12CCCC2	REAL300033512985	1	46	-1.0	-57.28	377.60	1.00	-56.28
O=C(NC1CCN(C(=O)C2=CC([O-])=CS2)C12CCCC2)C1=NSNC1=O	REAL300033513021	0	43	-1.0	-60.41	361.46	2.43	-57.98
CN1[N-]C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)C23CCCC3)=CC1=O	REAL300033513071	0	46	-1.0	-56.05	373.28	2.56	-53.49
O=C(NC1CCN(C(=O)C2=NSNC2=O)C12CCCC2)C1=CC(=O)[N-]O1	REAL300033513165	0	42	-1.0	-57.65	348.61	1.16	-56.49
O=C(NC1CCCC12CCN(C(=O)C1=NSNC1=O)C2)C1=COC(=O)[N-]1	REAL300033513791	1	42	-1.0	-49.71	351.50	-0.44	-50.15
O=C(CC1=CC(=O)N[N-]1)NC1CCCC12CCN(C(=O)C1=NSNC1=O)C2	REAL300033513861	1	46	-1.0	-66.08	376.90	1.18	-64.90
CN1N=C(C(=O)NC2CCCC23CCN(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300033513867	0	45	-1.0	-65.02	375.60	0.95	-64.07
O=C(NC1CCCC12CCN(C(=O)C1=NSNC1=O)C2)C1=C[N-]N=CC1=O	REAL300033513896	0	44	-1.0	-53.44	362.48	2.92	-50.52
O=C(NC1CCCC12CCN(C(=O)C1=NSNC1=O)C2)C1=CC(=O)N[N-]1	REAL300033513927	0	43	-1.0	-59.35	358.16	0.75	-58.60
O=C(NC1CCCC12CCN(C(=O)C1=NSNC1=O)C2)C1=NC(=O)N[N-]1	REAL300033514073	0	42	-1.0	-61.11	352.87	-0.52	-61.63
O=C(NC1CCCC12CCN(C(=O)C1=NC=CC=C1[O-])C2)C1=NSNC1=O	REAL300033514356	1	45	-1.0	-67.77	372.37	4.39	-63.38
O=C(NC1CCCC12CCN(C(=O)C1=COC(=O)[N-]1)C2)C1=NSNC1=O	REAL300033514831	1	42	-1.0	-55.37	355.63	0.57	-54.80
O=C(NC1CCCC12CCN(C(=O)C1=C[N-]N=CC1=O)C2)C1=NSNC1=O	REAL300033514902	0	44	-1.0	-54.50	372.86	2.20	-52.30
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)N[N-]1)C2)C1=NSNC1=O	REAL300033514961	0	43	-1.0	-58.15	358.10	0.62	-57.53
O=C(NC1CCCC12CCN(C(=O)C1=NC(=O)N[N-]1)C2)C1=NSNC1=O	REAL300033514995	0	42	-1.0	-54.82	355.26	-0.06	-54.88
O=C(NC1CCCC12CCN(C(=O)C1=CN=CC([O-])=C1)C2)C1=NSNC1=O	REAL300033515103	1	45	-1.0	-60.52	368.49	1.60	-58.92
CN1N=C(C(=O)N2CCC3(CCCC3NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033515211	0	45	-1.0	-63.84	375.66	0.80	-63.04
O=C(NC1CCCC12CCN(C(=O)C1=CC=NC=C1[O-])C2)C1=NSNC1=O	REAL300033515341	0	45	-1.0	-71.51	371.61	2.66	-68.85
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NSNC1=O	REAL300033515344	0	42	-1.0	-61.91	353.09	0.76	-61.15
CN1[N-]C(C(=O)N2CCC3(CCCC3NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033515431	0	46	-1.0	-60.82	380.88	2.33	-58.49
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CCCC2NC(=O)C2=NSNC2=O)C1	REAL300033515477	1	46	-1.0	-74.80	382.78	0.98	-73.82
O=C(NC1CCCC12CCN(C(=O)C1=CC([O-])=CS1)C2)C1=NSNC1=O	REAL300033515521	0	43	-1.0	-67.87	367.19	2.21	-65.66
CN1[N-]C(C(=O)NC2CCCC23CCN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033515574	0	46	-1.0	-61.89	380.99	2.47	-59.42
O=C(NC1CCCC12CCN(C(=O)C1=NSNC1=O)C2)C1=CC(=O)[N-]O1	REAL300033515668	0	42	-1.0	-64.10	353.02	1.23	-62.87
O=C(NC1CCCN(C(=O)C2=NSNC2=O)CCC1)C1=NNC(=O)[N-]C1=O	REAL300033516397	0	43	-1.0	-62.98	348.52	-1.72	-64.70
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C[C@@H](NC(=O)C1=NSNC1=O)C1CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300033530832	1	39	-1.0	-62.48	351.89	-1.47	-63.95
C[C@@H](NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300033530838	1	39	-1.0	-60.10	351.62	1.19	-58.91
C[C@@H](NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300033530900	0	39	-1.0	-58.86	357.23	1.30	-57.56
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C[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(O)C=C1Cl	REAL300033539914	0	39	-1.0	-53.27	353.07	1.70	-51.57
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C[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300033541045	1	38	-1.0	-47.61	350.44	1.81	-45.80
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C[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300033541076	0	39	-1.0	-49.71	351.99	-2.89	-52.60
CCN1[N-]C(C(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)[C@H]2C)=CC1=O	REAL300033541150	0	42	-1.0	-54.20	365.10	0.92	-53.28
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C[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300033541328	1	39	-1.0	-56.84	343.75	1.25	-55.59
C[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300033541379	0	39	-1.0	-55.45	343.08	1.08	-54.37
C[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300033541384	0	38	-1.0	-59.04	348.95	1.09	-57.95
CC1=C(CC(=O)N2CC[C@H](NC(=O)C3=NSNC3=O)[C@H]2C)C(=O)N(C)[N-]1	REAL300033541401	0	45	-1.0	-59.50	388.04	1.16	-58.34
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C[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CS1	REAL300033541473	0	36	-1.0	-62.00	327.54	0.03	-61.97
C[C@@H]1[C@@H](NC(=O)C2=NSNC2=O)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300033541491	0	39	-1.0	-68.14	336.39	1.45	-66.69
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033541717	0	39	-1.0	-53.01	343.39	0.03	-52.98
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C[PH](C)([O-])C(=O)C(=O)N1CCC(C2(NC(=O)C3=NSNC3=O)CC2)C1	REAL300033552493	0	45	-1.0	-52.01	379.03	0.13	-51.88
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NC1=NC=C(C(=O)N2CCC(C3(NC(=O)C4=NSNC4=O)CC3)C2)C(=O)N1	REAL300033553248	0	43	-1.0	-58.13	372.04	-0.23	-58.36
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CC1=C([O-])N=C(C(=O)N2CCC(C3(NC(=O)C4=NSNC4=O)CC3)C2)S1	REAL300033553352	1	42	-1.0	-54.94	371.73	0.13	-54.81
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CCN1[N-]C(C(=O)N2CCC(C3(NC(=O)C4=NSNC4=O)CC3)C2)=CC1=O	REAL300033553493	0	46	-1.0	-54.41	389.36	2.20	-52.21
CN1[N-]C(C(=O)N2CCC(C3(NC(=O)C4=NSNC4=O)CC3)C2)=CC1=O	REAL300033553509	0	43	-1.0	-53.61	367.55	1.27	-52.34
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CC1=CN=C(C(=O)N2CCC(C3(NC(=O)C4=NSNC4=O)CC3)C2)C(O)=C1	REAL300033553656	0	45	-1.0	-65.37	377.90	3.90	-61.47
CC1=CN=C(C(=O)N2CCC(C3(NC(=O)C4=NSNC4=O)CC3)C2)C([O-])=C1	REAL300033553656	1	45	-1.0	-65.37	377.90	3.90	-61.47
O=C(NC1(C2CCN(C(=O)C3=CC([O-])=CS3)C2)CC1)C1=NSNC1=O	REAL300033553669	0	40	-1.0	-65.00	346.93	0.92	-64.08
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CN1[N-]C(C(=O)NC2(C3CCN(C(=O)C4=NSNC4=O)C3)CC2)=CC1=O	REAL300033553768	0	43	-1.0	-58.16	367.44	1.48	-56.68
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O=C(NC1CCOC12CCN(C(=O)C1=NSNC1=O)CC2)C1=CC(=O)N[N-]1	REAL300033554322	0	44	-1.0	-49.96	366.25	-1.10	-51.06
O=C(NC1CCOC12CCN(C(=O)C1=NSNC1=O)CC2)C1=NC(=O)N[N-]1	REAL300033554377	0	43	-1.0	-47.87	360.84	-2.39	-50.26
O=C(NC1CCOC12CCN(C(=O)C1=COC(=O)[N-]1)CC2)C1=NSNC1=O	REAL300033554713	1	43	-1.0	-51.94	361.01	-0.96	-52.90
O=C(NC1CCOC12CCN(C(=O)C1=CC(=O)N[N-]1)CC2)C1=NSNC1=O	REAL300033554766	0	44	-1.0	-50.86	365.99	-1.07	-51.93
O=C(NC1CCOC12CCN(C(=O)C1=NNC(=O)[N-]1)CC2)C1=NSNC1=O	REAL300033554776	0	43	-1.0	-54.85	360.91	-2.52	-57.37
O=C(NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=NSNC1=O	REAL300033554922	0	43	-1.0	-57.00	361.22	-0.96	-57.96
O=C(NC1CCOC12CCN(C(=O)C1=NSNC1=O)CC2)C1=CC(=O)[N-]O1	REAL300033555069	0	43	-1.0	-53.72	360.99	-0.61	-54.33
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300033555965	0	41	-1.0	-65.67	354.44	-1.92	-67.59
O=C(CN1C(=O)[N-]NC1=O)N1CCCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033556016	0	43	-1.0	-75.77	371.78	-0.24	-76.01
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300033556396	0	43	-1.0	-67.85	372.91	4.08	-63.77
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300033556475	0	43	-1.0	-63.23	373.39	-0.80	-64.03
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=COC(=O)[N-]1)C2	REAL300033556486	1	39	-1.0	-66.49	337.55	0.55	-65.94
CCN1[N-]C(C(=O)N2CCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300033556603	0	46	-1.0	-60.94	386.02	3.07	-57.87
O=C(CC1=CC(=O)N[N-]1)N1CCCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033556610	1	43	-1.0	-77.33	366.76	0.84	-76.49
CN1N=C(C(=O)N2CCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)[N-]C1=O	REAL300033556633	0	42	-1.0	-57.22	359.87	0.63	-56.59
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300033556690	0	41	-1.0	-62.93	356.70	1.99	-60.94
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300033556755	0	40	-1.0	-52.69	342.33	0.43	-52.26
C[PH](C)([O-])C(=O)C(=O)N1CCCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033556760	0	45	-1.0	-57.09	380.66	1.41	-55.68
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300033556784	0	43	-1.0	-62.25	363.89	3.80	-58.45
CC1SC(C(=O)N2CCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=NC1=O	REAL300033556805	0	42	-1.0	-67.72	369.71	1.24	-66.48
CC1=C([O-])N=C(C(=O)N2CCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)S1	REAL300033556805	1	42	-1.0	-67.72	369.71	1.24	-66.48
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300033556821	0	43	-1.0	-68.43	373.15	4.09	-64.34
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300033556846	0	43	-1.0	-80.71	372.24	3.86	-76.85
O=C(CC1=NC([O-])=CS1)N1CCCC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033556960	0	42	-1.0	-89.85	372.61	0.12	-89.73
CC1=CC(=O)C(C(=O)N2CCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=N[N-]1	REAL300033557114	0	44	-1.0	-61.14	371.63	3.96	-57.18
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300033557124	0	39	-1.0	-67.01	337.18	-0.16	-67.17
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300033557466	1	42	-1.0	-69.21	353.44	3.97	-65.24
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300033557564	0	41	-1.0	-54.09	354.27	-1.67	-55.76
O=C(CN1C(=O)[N-]NC1=O)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300033557656	0	43	-1.0	-62.93	369.72	-0.08	-63.01
N#CC1=CC([O-])=CC(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)=C1	REAL300033558466	1	44	-1.0	-51.80	378.19	3.75	-48.05
O=C(C1=COC(=O)[N-]1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300033558533	1	39	-1.0	-51.03	336.95	-0.26	-51.29
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=CC=C([O-])C=C3F)C2)C1	REAL300033558602	1	43	-1.0	-55.00	365.49	3.55	-51.45
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=CC([O-])=CC(=O)O3)C2)C1	REAL300033558606	0	42	-1.0	-55.64	363.01	2.94	-52.70
N#CC1=CC=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)C=C1[O-]	REAL300033558609	1	44	-1.0	-67.03	377.38	3.84	-63.19
CC1=CC=C([O-])C(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)=N1	REAL300033558660	1	45	-1.0	-69.22	375.05	4.51	-64.71
O=C(CCC1=NC(=O)[N-]N1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300033558661	1	45	-1.0	-59.95	381.00	-0.00	-59.95
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300033558671	0	41	-1.0	-58.97	345.52	3.11	-55.86
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=CC=CC(F)=C3[O-])C2)C1	REAL300033558678	0	43	-1.0	-77.34	363.90	4.94	-72.40
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=CC=CC([O-])=C3F)C2)C1	REAL300033558742	1	43	-1.0	-74.02	364.15	3.51	-70.51
O=C(C1=CC(=O)N[N-]1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300033558814	0	40	-1.0	-53.78	341.78	0.32	-53.46
C[PH](C)([O-])C(=O)C(=O)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300033558819	0	45	-1.0	-49.99	376.43	1.59	-48.40
O=C(C1=CC(=O)N([O-])C=C1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300033558869	0	43	-1.0	-64.70	363.26	3.95	-60.75
O=C(C1=NNC(=O)[N-]1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300033558886	0	39	-1.0	-51.69	337.42	-1.11	-52.80
O=C(C1=CC=CN([O-])C1=O)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300033558891	0	43	-1.0	-81.67	370.96	4.27	-77.40
NC1=CC(=O)[N-]C(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)=N1	REAL300033558969	0	43	-1.0	-57.51	366.80	-0.05	-57.56
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=CC(F)=CC=C3[O-])C2)C1	REAL300033558997	1	43	-1.0	-66.68	363.41	5.10	-61.58
CC1=CC=NC(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)=C1[O-]	REAL300033559039	1	45	-1.0	-58.03	374.99	4.69	-53.34
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=CN=CC([O-])=C3)C2)C1	REAL300033559099	1	42	-1.0	-52.37	352.28	1.63	-50.74
O=C(CC1=NC([O-])=CS1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300033559192	0	42	-1.0	-76.75	370.57	0.26	-76.49
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=C([O-])C=CC=C3F)C2)C1	REAL300033559203	0	43	-1.0	-72.47	371.63	3.79	-68.68
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=CC=C(F)C=C3[O-])C2)C1	REAL300033559204	0	43	-1.0	-55.56	365.28	4.98	-50.58
CC1=CC(=O)C(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300033559298	0	44	-1.0	-57.66	370.20	4.14	-53.52
O=C(C1=CC=CC(=O)N1[O-])N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300033559313	0	43	-1.0	-92.87	359.69	4.95	-87.92
CN1N=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300033559359	0	42	-1.0	-54.42	360.18	0.55	-53.87
N#CC1=CC=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)C([O-])=C1	REAL300033559392	0	44	-1.0	-53.29	379.67	5.31	-47.98
N#CC1=CC=C([O-])C(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)=C1	REAL300033559398	0	44	-1.0	-63.21	377.84	5.44	-57.77
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=CC=C(F)C([O-])=C3)C2)C1	REAL300033559488	1	43	-1.0	-58.12	363.55	3.45	-54.67
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300033559538	0	41	-1.0	-44.98	356.76	-1.60	-46.58
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1	REAL300033559538	1	41	-1.0	-44.98	356.76	-1.60	-46.58
NC1=NC=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)C(=O)N1	REAL300033559574	0	43	-1.0	-58.18	368.37	0.77	-57.41
NC1=NC=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300033559574	1	43	-1.0	-58.18	368.37	0.77	-57.41
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300033559662	0	39	-1.0	-57.35	336.81	0.67	-56.68
CC1SC(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)=NC1=O	REAL300033559678	0	42	-1.0	-55.90	368.41	0.79	-55.11
CC1=C([O-])N=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)S1	REAL300033559678	1	42	-1.0	-55.90	368.41	0.79	-55.11
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300033559777	0	43	-1.0	-53.24	363.40	-0.92	-54.16
CCN1[N-]C(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033559819	0	46	-1.0	-53.78	387.53	3.03	-50.75
CN1[N-]C(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033559835	0	43	-1.0	-53.35	365.80	2.09	-51.26
O=C(CC1=CC(=O)NN1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300033559916	0	43	-1.0	-66.39	364.72	0.97	-65.42
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300033559916	1	43	-1.0	-66.39	364.72	0.97	-65.42
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=CC=C(O)C(F)=C3)C2)C1	REAL300033559920	0	43	-1.0	-55.36	363.51	3.49	-51.87
O=C(C1=NSNC1=O)N1CCCC2(CN(C(=O)C3=CC=C([O-])C(F)=C3)C2)C1	REAL300033559920	1	43	-1.0	-55.36	363.51	3.49	-51.87
CC1=CN=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)C([O-])=C1	REAL300033559982	1	45	-1.0	-69.86	374.89	4.56	-65.30
O=C(C1=CC([O-])=CS1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300033559995	0	40	-1.0	-59.91	350.04	2.46	-57.45
O=C(C1=CN([O-])C(=O)C=C1)N1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300033560006	0	43	-1.0	-74.26	362.82	3.95	-70.31
CN1[N-]C(C(=O)N2CCCC3(CN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300033560103	0	43	-1.0	-69.81	365.82	2.19	-67.62
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300033560198	0	41	-1.0	-48.20	358.23	-2.21	-50.41
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300033560198	1	41	-1.0	-48.20	358.23	-2.21	-50.41
O=C(C1=NSNC1=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300033560304	0	39	-1.0	-75.45	337.37	0.41	-75.04
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=NNC(=O)[N-]C1=O	REAL300033561493	0	40	-1.0	-55.88	343.04	-1.48	-57.36
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)CN1C(=O)[N-]NC1=O	REAL300033561577	0	42	-1.0	-61.48	345.42	1.18	-60.30
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CN([O-])C(=O)C=C1	REAL300033562168	0	42	-1.0	-81.99	353.75	4.00	-77.99
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)NC([O-])=C1	REAL300033562282	0	42	-1.0	-62.80	355.76	-0.90	-63.70
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=COC(=O)[N-]1	REAL300033562293	1	38	-1.0	-52.76	326.76	0.71	-52.05
CCN1[N-]C(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300033562463	0	45	-1.0	-69.04	376.22	3.27	-65.77
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300033562471	1	42	-1.0	-58.72	355.33	0.96	-57.76
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CC(=S)N1[O-]	REAL300033562489	0	42	-1.0	-109.31	363.04	5.90	-103.41
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)CC1SC(=O)[N-]C1=O	REAL300033562498	0	42	-1.0	-64.15	370.58	-0.51	-64.66
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=NN(C)C(=O)[N-]1	REAL300033562514	0	41	-1.0	-57.32	349.76	0.80	-56.52
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=C[N-]N=CC1=O	REAL300033562603	0	40	-1.0	-49.89	344.24	2.11	-47.78
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N[N-]1	REAL300033562702	0	39	-1.0	-51.88	331.62	0.67	-51.21
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C(=O)[PH](C)(C)[O-]	REAL300033562707	0	44	-1.0	-64.12	366.56	1.93	-62.19
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)CCC1=NC(=O)NN1	REAL300033562734	0	44	-1.0	-62.33	370.59	0.02	-62.31
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)CCC1=NC(=O)[N-]N1	REAL300033562734	1	44	-1.0	-62.33	370.59	0.02	-62.31
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CN([O-])C1=O	REAL300033562738	0	42	-1.0	-74.28	355.01	3.89	-70.39
CC1SC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=NSNC2=O)=NC1=O	REAL300033562766	0	41	-1.0	-58.62	359.17	1.39	-57.23
CC1=C([O-])N=C(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=NSNC2=O)S1	REAL300033562766	1	41	-1.0	-58.62	359.17	1.39	-57.23
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)C=C(Cl)N1	REAL300033562780	0	41	-1.0	-61.40	361.78	4.21	-57.19
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300033562780	1	41	-1.0	-61.40	361.78	4.21	-57.19
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N([O-])C=C1	REAL300033562797	0	42	-1.0	-64.86	362.54	4.26	-60.60
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CC(=O)N1[O-]	REAL300033562830	0	42	-1.0	-106.02	351.93	4.89	-101.13
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)CC1=C([O-])N=C(N)S1	REAL300033562953	0	43	-1.0	-73.28	361.00	0.86	-72.42
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)CC1=NC([O-])=CS1	REAL300033562998	0	41	-1.0	-70.18	361.39	0.24	-69.94
CCC1=NC=C(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033563016	1	46	-1.0	-60.41	385.57	2.49	-57.92
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300033563025	0	43	-1.0	-78.30	370.46	-1.29	-79.59
CC1=CC(=O)C(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=NSNC2=O)=N[N-]1	REAL300033563227	0	43	-1.0	-55.22	360.19	4.36	-50.86
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=NNC(=O)[N-]1	REAL300033563242	0	38	-1.0	-54.78	326.32	-0.82	-55.60
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CN=C(C=N[O-])S1	REAL300033563353	0	41	-1.0	-65.99	364.44	1.58	-64.41
COC1=NC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300033563366	0	44	-1.0	-56.06	369.69	-0.64	-56.70
CN(C[C@@H]1CCCN1C(=O)C1=NC=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300033563622	1	41	-1.0	-84.93	345.23	4.20	-80.73
CN(C[C@@H]1CCCN1C(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300033563735	0	40	-1.0	-72.96	343.33	-1.50	-74.46
CN(C[C@@H]1CCCN1C(=O)CN1C(=O)[N-]NC1=O)C(=O)C1=NSNC1=O	REAL300033563873	0	42	-1.0	-56.24	360.28	-0.04	-56.28
CN(C[C@@H]1CCCN1C(=O)C1=CC(Cl)=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300033564975	1	42	-1.0	-62.64	353.00	5.96	-56.68
CN(C[C@@H]1CCCN1C(=O)C1=CC([O-])=CC(C#N)=C1)C(=O)C1=NSNC1=O	REAL300033564998	1	43	-1.0	-57.28	358.03	4.40	-52.88
CCC1=NC=C(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033565065	1	46	-1.0	-66.48	368.70	3.27	-63.21
CN(C[C@@H]1CCCN1C(=O)C1=COC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300033565080	1	38	-1.0	-52.15	326.21	0.51	-51.64
CN(C[C@@H]1CCCN1C(=O)C[N-]C(=O)C(F)(F)F)C(=O)C1=NSNC1=O	REAL300033565146	0	41	-1.0	-50.31	364.68	0.24	-50.07
CN(C[C@@H]1CCCN1C(=O)CC1=C([O-])N=C(N)S1)C(=O)C1=NSNC1=O	REAL300033565147	0	43	-1.0	-84.93	377.40	-0.57	-85.50
CN(C[C@@H]1CCCN1C(=O)C1=CC=C([O-])C=C1F)C(=O)C1=NSNC1=O	REAL300033565166	1	42	-1.0	-60.53	341.78	4.16	-56.37
CN(C[C@@H]1CCCN1C(=O)C1=CC([O-])=CC(=O)O1)C(=O)C1=NSNC1=O	REAL300033565172	0	41	-1.0	-63.90	352.05	3.03	-60.87
CN(C[C@@H]1CCCN1C(=O)C1=CC=C(C#N)C([O-])=C1)C(=O)C1=NSNC1=O	REAL300033565178	1	43	-1.0	-64.63	358.21	4.48	-60.15
CN(C[C@@H]1CCCN1C(=O)C1=CC(Cl)=NC=C1[O-])C(=O)C1=NSNC1=O	REAL300033565181	0	41	-1.0	-60.97	348.31	4.07	-56.90
CN(C[C@@H]1CCCN1C(=O)CN1N=CC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300033565193	0	43	-1.0	-77.94	370.58	-1.19	-79.13
CC1=CC=C([O-])C(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=NSNC2=O)=N1	REAL300033565247	1	44	-1.0	-85.80	366.83	4.77	-81.03
CN(C[C@@H]1CCCN1C(=O)C1=C[N-]N=CC1=O)C(=O)C1=NSNC1=O	REAL300033565264	0	40	-1.0	-56.79	324.87	2.92	-53.87
CN(C[C@@H]1CCCN1C(=O)C1=CC=CC(F)=C1[O-])C(=O)C1=NSNC1=O	REAL300033565271	0	42	-1.0	-68.81	342.49	5.50	-63.31
CN(C[C@@H]1CCCN1C(=O)C1=CC=CC([O-])=C1F)C(=O)C1=NSNC1=O	REAL300033565346	1	42	-1.0	-72.41	342.82	4.16	-68.25
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)N[N-]1)C(=O)C1=NSNC1=O	REAL300033565428	0	39	-1.0	-65.41	331.84	0.64	-64.77
CN(C[C@@H]1CCCN1C(=O)C(=O)[PH](C)(C)[O-])C(=O)C1=NSNC1=O	REAL300033565433	0	44	-1.0	-67.47	367.47	3.01	-64.46
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)N([O-])C=C1)C(=O)C1=NSNC1=O	REAL300033565507	0	42	-1.0	-75.68	344.00	4.56	-71.12
CN(C[C@@H]1CCCN1C(=O)C1=NNC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300033565531	0	38	-1.0	-70.66	328.05	-0.96	-71.62
CN(C[C@@H]1CCCN1C(=O)C1=CC=CN([O-])C1=O)C(=O)C1=NSNC1=O	REAL300033565536	0	42	-1.0	-81.76	344.27	4.94	-76.82
CN(C[C@@H]1CCCN1C(=O)C1=CC(F)=CC=C1O)C(=O)C1=NSNC1=O	REAL300033565671	0	42	-1.0	-62.51	342.67	5.49	-57.02
CN(C[C@@H]1CCCN1C(=O)C1=CC(F)=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300033565671	1	42	-1.0	-62.51	342.67	5.49	-57.02
CC1=CC=NC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=NSNC2=O)=C1O	REAL300033565729	0	44	-1.0	-82.77	364.09	5.00	-77.77
CC1=CC=NC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=NSNC2=O)=C1[O-]	REAL300033565729	1	44	-1.0	-82.77	364.09	5.00	-77.77
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CN(C[C@@H]1CCCN1C(=O)C1=CC=C(Cl)C=C1O)C(=O)C1=NSNC1=O	REAL300033566370	0	42	-1.0	-58.65	351.83	5.86	-52.79
CN(C[C@@H]1CCCN1C(=O)C1=CC=C(Cl)C=C1[O-])C(=O)C1=NSNC1=O	REAL300033566370	1	42	-1.0	-58.65	351.83	5.86	-52.79
CN(C[C@@H]1CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)C1=NSNC1=O	REAL300033566426	0	40	-1.0	-62.71	346.38	-1.92	-64.63
CN(C[C@@H]1CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300033566426	1	40	-1.0	-47.57	344.80	-1.06	-48.63
CN(C[C@@H]1CCCN1C(=O)C1=CN=C(N)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300033566469	1	42	-1.0	-66.48	342.20	1.64	-64.84
CN(C[C@@H]1CCCN1C(=O)C1=CC=C(F)C([O-])=C1F)C(=O)C1=NSNC1=O	REAL300033566499	0	42	-1.0	-67.95	348.51	4.33	-63.62
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CN(C[C@@H]1CCCN1C(=O)C1=NC=CC(Cl)=C1[O-])C(=O)C1=NSNC1=O	REAL300033566544	0	41	-1.0	-80.44	361.39	4.71	-75.73
CN(C[C@@H]1CCCN1C(=O)C1=CC=C(Cl)C([O-])=C1)C(=O)C1=NSNC1=O	REAL300033566575	0	42	-1.0	-65.89	354.07	4.58	-61.31
CN(C[C@@H]1CCCN1C(=O)C1=CC=NC=C1[O-])C(=O)C1=NSNC1=O	REAL300033566583	0	41	-1.0	-62.85	330.87	3.59	-59.26
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NSNC1=O	REAL300033566588	0	38	-1.0	-68.71	326.75	0.77	-67.94
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CN(C[C@@H]1CCCN1C(=O)C(=O)C1=CC=C([O-])C=C1)C(=O)C1=NSNC1=O	REAL300033566689	1	44	-1.0	-67.31	371.03	3.73	-63.58
CN(C[C@@H]1CCCN1C(=O)C1=CN=C(C=N[O-])S1)C(=O)C1=NSNC1=O	REAL300033566705	0	41	-1.0	-71.36	355.66	2.21	-69.15
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1)C(=O)C1=NSNC1=O	REAL300033566722	1	41	-1.0	-63.01	363.23	4.08	-58.93
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)NC([O-])=C1)C(=O)C1=NSNC1=O	REAL300033566740	0	42	-1.0	-46.62	338.75	-1.11	-47.73
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CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)N(C)[N-]1)C(=O)C1=NSNC1=O	REAL300033566808	0	42	-1.0	-69.64	356.09	2.23	-67.41
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300033566817	0	42	-1.0	-68.39	373.19	0.20	-68.19
CN(C[C@@H]1CCCN1C(=O)CC1=CC(=O)N[N-]1)C(=O)C1=NSNC1=O	REAL300033566919	1	42	-1.0	-59.30	355.43	1.05	-58.25
CN(C[C@@H]1CCCN1C(=O)C1=CC=C([O-])C(F)=C1)C(=O)C1=NSNC1=O	REAL300033566924	1	42	-1.0	-66.07	344.24	4.14	-61.93
CN(C[C@@H]1CCCN1C(=O)C1=CC(F)=C([O-])C(F)=C1)C(=O)C1=NSNC1=O	REAL300033566960	0	42	-1.0	-54.45	347.66	3.25	-51.20
CN(C[C@@H]1CCCN1C(=O)C1=CC=NC(Cl)=C1[O-])C(=O)C1=NSNC1=O	REAL300033566964	0	41	-1.0	-63.02	347.61	4.10	-58.92
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CC1=CN=C(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=NSNC2=O)C([O-])=C1	REAL300033567013	1	44	-1.0	-86.49	366.69	4.84	-81.65
CN(C[C@@H]1CCCN1C(=O)C1=CC([O-])=CS1)C(=O)C1=NSNC1=O	REAL300033567032	0	39	-1.0	-71.01	329.75	3.06	-67.95
CN(C[C@@H]1CCCN1C(=O)C1=CN([O-])C(=O)C=C1)C(=O)C1=NSNC1=O	REAL300033567045	0	42	-1.0	-70.47	342.79	4.58	-65.89
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(C)[N-]1	REAL300033567194	0	42	-1.0	-67.69	354.54	2.32	-65.37
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300033567201	0	42	-1.0	-55.04	371.85	0.21	-54.83
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300033567350	0	40	-1.0	-54.01	345.14	-1.66	-55.67
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300033567350	1	40	-1.0	-47.98	344.72	-0.88	-48.86
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300033567489	0	44	-1.0	-75.88	376.23	0.82	-75.06
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300033567496	0	38	-1.0	-67.58	326.66	0.67	-66.91
CN(C[C@@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300033567507	0	42	-1.0	-54.57	360.36	1.58	-52.99
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O=C(NC1CN(C(=O)C2=NSNC2=O)CC12CCOCC2)C1=CC(=O)[N-]O1	REAL300033568657	0	43	-1.0	-53.38	362.79	-1.30	-54.68
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1CCO	REAL300033569797	0	41	-1.0	-54.81	349.82	-6.86	-61.67
O=C(CN1C(=O)[N-]NC1=O)N1CCN(C(=O)C2=NSNC2=O)C(CCO)C1	REAL300033569841	0	43	-1.0	-58.56	362.95	-3.89	-62.45
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1CCO	REAL300033570178	0	43	-1.0	-67.00	364.90	0.49	-66.51
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1CCO	REAL300033570250	0	43	-1.0	-48.24	364.46	-4.50	-52.74
O=C(C1=COC(=O)[N-]1)N1CCN(C(=O)C2=NSNC2=O)C(CCO)C1	REAL300033570260	1	39	-1.0	-46.17	329.16	-3.14	-49.31
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C(CCO)C2)=CC1=O	REAL300033570364	0	46	-1.0	-52.80	378.01	-0.60	-53.40
O=C(CC1=CC(=O)N[N-]1)N1CCN(C(=O)C2=NSNC2=O)C(CCO)C1	REAL300033570371	1	43	-1.0	-62.25	357.94	-2.81	-65.06
CN1N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C(CCO)C2)[N-]C1=O	REAL300033570389	0	42	-1.0	-56.29	351.59	-3.05	-59.34
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=C[N-]N=CC2=O)CC1CCO	REAL300033570439	0	41	-1.0	-41.92	336.19	-1.78	-43.70
O=C(C1=CC(=O)N[N-]1)N1CCN(C(=O)C2=NSNC2=O)C(CCO)C1	REAL300033570494	0	40	-1.0	-49.20	333.47	-3.25	-52.45
C[PH](C)([O-])C(=O)C(=O)N1CCN(C(=O)C2=NSNC2=O)C(CCO)C1	REAL300033570499	0	45	-1.0	-51.54	366.90	-2.29	-53.83
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1CCO	REAL300033570519	0	43	-1.0	-71.59	361.62	0.30	-71.29
CC1SC(C(=O)N2CCN(C(=O)C3=NSNC3=O)C(CCO)C2)=NC1=O	REAL300033570536	0	42	-1.0	-50.76	360.45	-2.45	-53.21
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C(CCO)C2)S1	REAL300033570536	1	42	-1.0	-50.76	360.45	-2.45	-53.21
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1CCO	REAL300033570550	0	43	-1.0	-67.35	365.11	0.48	-66.87
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1CCO	REAL300033570570	0	43	-1.0	-84.26	355.72	0.97	-83.29
O=C(CC1=NC([O-])=CS1)N1CCN(C(=O)C2=NSNC2=O)C(CCO)C1	REAL300033570669	0	42	-1.0	-74.10	363.79	-3.53	-77.63
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C(CCO)C2)=N[N-]1	REAL300033570805	0	44	-1.0	-52.93	364.50	0.22	-52.71
O=C(C1=NNC(=O)[N-]1)N1CCN(C(=O)C2=NSNC2=O)C(CCO)C1	REAL300033570814	0	39	-1.0	-52.97	328.17	-4.70	-57.67
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=NC=CC=C2[O-])C(CCO)C1	REAL300033571143	1	42	-1.0	-66.57	345.32	0.36	-66.21
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O=C(CN1C(=O)[N-]NC1=O)N1CCN(C(=O)C2=NSNC2=O)CC1CCO	REAL300033571302	0	43	-1.0	-61.01	362.60	-3.77	-64.78
O=C(C1=COC(=O)[N-]1)N1CCN(C(=O)C2=NSNC2=O)CC1CCO	REAL300033571927	1	39	-1.0	-47.32	328.64	-2.98	-50.30
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C([O-])C=C2F)C(CCO)C1	REAL300033571985	1	43	-1.0	-56.85	356.17	-0.14	-56.99
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C(CCO)C1	REAL300033571988	0	42	-1.0	-50.79	355.86	-0.82	-51.61
CC1=CC=C([O-])C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2CCO)=N1	REAL300033572026	1	45	-1.0	-67.37	367.03	0.93	-66.44
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=C[N-]N=CC2=O)C(CCO)C1	REAL300033572036	0	41	-1.0	-45.54	344.79	-1.14	-46.68
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C[PH](C)([O-])C(=O)C(=O)N1CCN(C(=O)C2=NSNC2=O)CC1CCO	REAL300033572140	0	45	-1.0	-52.16	368.03	-2.13	-54.29
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O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(F)=CC=C2[O-])C(CCO)C1	REAL300033572276	1	43	-1.0	-62.82	355.91	1.08	-61.74
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2CCO)=C1O	REAL300033572313	0	45	-1.0	-66.23	366.24	1.05	-65.18
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2CCO)=C1[O-]	REAL300033572313	1	45	-1.0	-66.23	366.24	1.05	-65.18
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CN=CC(O)=C2)C(CCO)C1	REAL300033572364	0	42	-1.0	-58.14	345.15	-2.13	-60.27
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CN=CC([O-])=C2)C(CCO)C1	REAL300033572364	1	42	-1.0	-58.14	345.15	-2.13	-60.27
O=C(CC1=NC([O-])=CS1)N1CCN(C(=O)C2=NSNC2=O)CC1CCO	REAL300033572427	0	42	-1.0	-76.06	363.11	-3.41	-79.47
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2CCO)=N[N-]1	REAL300033572503	0	44	-1.0	-54.98	362.18	0.45	-54.53
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=CC(=O)N2[O-])C(CCO)C1	REAL300033572512	0	43	-1.0	-52.37	345.69	-0.30	-52.67
CN1N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2CCO)[N-]C1=O	REAL300033572545	0	42	-1.0	-58.48	351.06	-2.92	-61.40
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C(F)C(O)=C2)C(CCO)C1	REAL300033572640	0	43	-1.0	-51.85	357.25	-0.16	-52.01
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C(CCO)C1	REAL300033572640	1	43	-1.0	-51.85	357.25	-0.16	-52.01
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C(CCO)C1	REAL300033572675	0	41	-1.0	-49.92	348.50	-5.75	-55.67
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C(CCO)C1	REAL300033572675	1	41	-1.0	-45.84	348.27	-4.77	-50.61
NC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2CCO)C(=O)[N-]1	REAL300033572702	1	43	-1.0	-51.39	359.14	-2.35	-53.74
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=NC=C2[O-])C(CCO)C1	REAL300033572763	0	42	-1.0	-67.24	344.62	-0.83	-68.07
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NSNC2=O)CC1CCO	REAL300033572768	0	39	-1.0	-54.90	328.01	-3.15	-58.05
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2CCO)S1	REAL300033572780	1	42	-1.0	-51.40	360.59	-2.31	-53.71
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C(CCO)C1	REAL300033572859	0	43	-1.0	-49.46	357.23	-4.57	-54.03
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2CCO)=CC1=O	REAL300033572894	0	46	-1.0	-55.09	378.15	-0.46	-55.55
CN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2CCO)=CC1=O	REAL300033572905	0	43	-1.0	-54.05	356.35	-1.38	-55.43
O=C(CC1=CC(=O)N[N-]1)N1CCN(C(=O)C2=NSNC2=O)CC1CCO	REAL300033572965	1	43	-1.0	-64.62	357.59	-2.69	-67.31
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C(CCO)C1	REAL300033572969	1	43	-1.0	-54.92	357.21	-0.11	-55.03
CC1=CN=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CC2CCO)C([O-])=C1	REAL300033573012	1	45	-1.0	-68.09	367.36	1.01	-67.08
O=C(C1=CC([O-])=CS1)N1CCN(C(=O)C2=NSNC2=O)CC1CCO	REAL300033573022	0	40	-1.0	-60.08	342.32	-1.06	-61.14
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C(CCO)C1	REAL300033573031	0	43	-1.0	-70.25	356.64	0.33	-69.92
CN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)C(CCO)C2)=CC1=O	REAL300033573116	0	43	-1.0	-51.98	356.20	-1.54	-53.52
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1CCO	REAL300033573197	0	41	-1.0	-43.16	345.44	-4.70	-47.86
O=C(C1=NSNC1=O)N1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1CCO	REAL300033573197	1	41	-1.0	-43.16	345.44	-4.70	-47.86
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NSNC2=O)C(CCO)C1	REAL300033573288	0	39	-1.0	-53.08	328.98	-3.18	-56.26
O=C(C1=NSNC1=O)N1CCC(C2CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300033574095	0	41	-1.0	-64.10	362.32	-1.70	-65.80
O=C(CN1C(=O)[N-]NC1=O)N1CC(C2CCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033574146	0	43	-1.0	-62.92	378.66	0.01	-62.91
O=C(C1=CN([O-])C(=O)C=C1)N1CC(C2CCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033574526	0	43	-1.0	-75.09	371.37	4.08	-71.01
O=C(C1=NSNC1=O)N1CCC(C2CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300033574605	0	43	-1.0	-56.35	371.92	-0.86	-57.21
O=C(C1=COC(=O)[N-]1)N1CC(C2CCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033574616	1	39	-1.0	-60.09	346.12	-0.08	-60.17
CCN1[N-]C(C(=O)N2CC(C3CCN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300033574733	0	46	-1.0	-61.60	395.35	2.99	-58.61
O=C(CC1=CC(=O)N[N-]1)N1CC(C2CCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033574740	1	43	-1.0	-65.27	373.52	0.97	-64.30
CN1N=C(C(=O)N2CC(C3CCN(C(=O)C4=NSNC4=O)C3)C2)[N-]C1=O	REAL300033574763	0	42	-1.0	-64.99	368.26	0.54	-64.45
O=C(C1=NSNC1=O)N1CCC(C2CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300033574820	0	41	-1.0	-61.82	354.16	3.19	-58.63
O=C(C1=CC(=O)N[N-]1)N1CC(C2CCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033574885	0	40	-1.0	-57.67	351.35	0.49	-57.18
C[PH](C)([O-])C(=O)C(=O)N1CC(C2CCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033574890	0	45	-1.0	-59.02	383.75	1.54	-57.48
O=C(CCC1=NC(=O)NN1)N1CC(C2CCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033574911	0	45	-1.0	-66.13	389.62	0.13	-66.00
O=C(CCC1=NC(=O)[N-]N1)N1CC(C2CCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033574911	1	45	-1.0	-66.13	389.62	0.13	-66.00
O=C(C1=CC=CN([O-])C1=O)N1CC(C2CCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033574914	0	43	-1.0	-80.83	379.47	4.23	-76.60
CC1SC(C(=O)N2CC(C3CCN(C(=O)C4=NSNC4=O)C3)C2)=NC1=O	REAL300033574935	0	42	-1.0	-60.37	377.94	0.74	-59.63
CC1=C([O-])N=C(C(=O)N2CC(C3CCN(C(=O)C4=NSNC4=O)C3)C2)S1	REAL300033574935	1	42	-1.0	-60.37	377.94	0.74	-59.63
O=C(C1=CC(=O)N([O-])C=C1)N1CC(C2CCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033574951	0	43	-1.0	-76.60	372.40	4.07	-72.53
O=C(C1=CC=CC(=O)N1[O-])N1CC(C2CCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033574976	0	43	-1.0	-89.70	368.93	5.07	-84.63
O=C(CC1=NC([O-])=CS1)N1CC(C2CCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033575090	0	42	-1.0	-75.64	379.51	0.34	-75.30
CC1=CC(=O)C(C(=O)N2CC(C3CCN(C(=O)C4=NSNC4=O)C3)C2)=N[N-]1	REAL300033575244	0	44	-1.0	-61.89	379.51	4.18	-57.71
O=C(C1=NC(=O)N[N-]1)N1CC(C2CCN(C(=O)C3=NSNC3=O)C2)C1	REAL300033575254	0	39	-1.0	-55.86	345.54	-0.69	-56.55
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300033575596	1	42	-1.0	-67.47	362.32	4.16	-63.31
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300033575694	0	41	-1.0	-60.89	362.18	-1.71	-62.60
O=C(CN1C(=O)[N-]NC1=O)N1CCC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033575786	0	43	-1.0	-60.78	379.79	-0.13	-60.91
N#CC1=CC([O-])=CC(C(=O)N2CCC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=C1	REAL300033576596	1	44	-1.0	-60.40	386.28	3.70	-56.70
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=COC(=O)[N-]3)C2)C1	REAL300033576663	1	39	-1.0	-55.60	346.38	0.23	-55.37
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CC=C([O-])C=C3F)C2)C1	REAL300033576732	1	43	-1.0	-62.42	374.96	3.53	-58.89
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CC([O-])=CC(=O)O3)C2)C1	REAL300033576736	0	42	-1.0	-58.52	370.83	2.89	-55.63
N#CC1=CC=C(C(=O)N2CCC(C3CN(C(=O)C4=NSNC4=O)C3)C2)C=C1[O-]	REAL300033576739	1	44	-1.0	-56.68	385.70	3.78	-52.90
CC1=CC=C([O-])C(C(=O)N2CCC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=N1	REAL300033576790	1	45	-1.0	-68.12	384.48	4.77	-63.35
O=C(CCC1=NC(=O)[N-]N1)N1CCC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033576791	1	45	-1.0	-65.55	389.94	-0.10	-65.65
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300033576801	0	41	-1.0	-58.50	364.31	2.11	-56.39
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CC=CC(F)=C3[O-])C2)C1	REAL300033576808	0	43	-1.0	-77.24	374.37	4.61	-72.63
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CC=CC([O-])=C3F)C2)C1	REAL300033576872	1	43	-1.0	-74.11	374.64	3.57	-70.54
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300033576944	0	40	-1.0	-58.91	350.81	0.43	-58.48
C[PH](C)([O-])C(=O)C(=O)N1CCC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033576949	0	45	-1.0	-58.49	389.22	1.61	-56.88
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CC(=O)N([O-])C=C3)C2)C1	REAL300033576999	0	43	-1.0	-70.88	381.70	4.27	-66.61
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300033577016	0	39	-1.0	-55.61	345.45	-0.42	-56.03
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CC=CN([O-])C3=O)C2)C1	REAL300033577021	0	43	-1.0	-83.93	380.42	4.19	-79.74
NC1=CC(=O)[N-]C(C(=O)N2CCC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=N1	REAL300033577099	0	43	-1.0	-69.08	375.13	0.16	-68.92
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CC(F)=CC=C3[O-])C2)C1	REAL300033577127	1	43	-1.0	-62.80	374.40	4.55	-58.25
CC1=CC=NC(C(=O)N2CCC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=C1[O-]	REAL300033577169	1	45	-1.0	-72.39	382.75	4.73	-67.66
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CN=CC([O-])=C3)C2)C1	REAL300033577229	1	42	-1.0	-56.54	360.39	1.57	-54.97
O=C(CC1=NC([O-])=CS1)N1CCC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033577322	0	42	-1.0	-74.06	380.63	0.22	-73.84
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=C([O-])C=CC=C3F)C2)C1	REAL300033577333	0	43	-1.0	-67.72	380.74	3.67	-64.05
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CC=C(F)C=C3[O-])C2)C1	REAL300033577334	0	43	-1.0	-71.36	374.72	4.41	-66.95
CC1=CC(=O)C(C(=O)N2CCC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=N[N-]1	REAL300033577428	0	44	-1.0	-58.64	379.37	4.15	-54.49
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CC=CC(=O)N3[O-])C2)C1	REAL300033577443	0	43	-1.0	-79.89	380.25	4.04	-75.85
CN1N=C(C(=O)N2CCC(C3CN(C(=O)C4=NSNC4=O)C3)C2)[N-]C1=O	REAL300033577489	0	42	-1.0	-62.65	368.19	0.61	-62.04
N#CC1=CC=C(C(=O)N2CCC(C3CN(C(=O)C4=NSNC4=O)C3)C2)C([O-])=C1	REAL300033577522	0	44	-1.0	-68.94	389.15	4.74	-64.20
N#CC1=CC=C([O-])C(C(=O)N2CCC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=C1	REAL300033577528	0	44	-1.0	-59.90	388.82	4.96	-54.94
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CC=C(F)C([O-])=C3)C2)C1	REAL300033577618	1	43	-1.0	-74.91	371.77	3.39	-71.52
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300033577668	0	41	-1.0	-54.24	364.72	-1.25	-55.49
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1	REAL300033577668	1	41	-1.0	-54.24	364.72	-1.25	-55.49
NC1=NC=C(C(=O)N2CCC(C3CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)N1	REAL300033577704	0	43	-1.0	-67.44	378.58	0.77	-66.67
NC1=NC=C(C(=O)N2CCC(C3CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)[N-]1	REAL300033577704	1	43	-1.0	-67.44	378.58	0.77	-66.67
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300033577792	0	39	-1.0	-60.09	346.37	0.66	-59.43
CC1SC(C(=O)N2CCC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=NC1=O	REAL300033577808	0	42	-1.0	-61.86	378.27	1.06	-60.80
CC1=C([O-])N=C(C(=O)N2CCC(C3CN(C(=O)C4=NSNC4=O)C3)C2)S1	REAL300033577808	1	42	-1.0	-61.86	378.27	1.06	-60.80
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300033577907	0	43	-1.0	-54.34	381.77	-0.65	-54.99
CCN1[N-]C(C(=O)N2CCC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300033577949	0	46	-1.0	-62.58	395.31	2.97	-59.61
CN1[N-]C(C(=O)N2CCC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300033577965	0	43	-1.0	-58.39	373.96	2.17	-56.22
O=C(CC1=CC(=O)N[N-]1)N1CCC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033578046	1	43	-1.0	-63.52	374.78	0.94	-62.58
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)C2)C1	REAL300033578050	1	43	-1.0	-66.32	371.73	3.43	-62.89
CC1=CN=C(C(=O)N2CCC(C3CN(C(=O)C4=NSNC4=O)C3)C2)C([O-])=C1	REAL300033578112	1	45	-1.0	-68.82	383.77	4.79	-64.03
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CC([O-])=CS3)C2)C1	REAL300033578125	0	40	-1.0	-67.81	357.51	2.33	-65.48
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CC1(C)CC(CNC(=O)C2=NSNC2=O)N(C(=O)C2=NC=CC=C2[O-])C1	REAL300033622447	1	44	-1.0	-73.68	373.97	3.02	-70.66
CC1(C)CC(CNC(=O)C2=NSNC2=O)N(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300033622532	0	43	-1.0	-64.68	373.56	-2.78	-67.46
CC1(C)CC(CNC(=O)C2=NSNC2=O)N(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300033622610	0	45	-1.0	-65.33	390.06	-1.26	-66.59
CC1(C)CC(CNC(=O)C2=NSNC2=O)N(C(=O)C2=COC(=O)[N-]2)C1	REAL300033623265	1	41	-1.0	-57.88	356.07	-0.70	-58.58
CC1(C)CC(CNC(=O)C2=NSNC2=O)N(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300033623324	1	45	-1.0	-54.46	377.36	3.22	-51.24
CC1(C)CC(CNC(=O)C2=NSNC2=O)N(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300033623327	0	44	-1.0	-58.76	381.22	1.79	-56.97
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CC1(C)CC(CNC(=O)C2=NSNC2=O)N(C(=O)C2=NC(=O)N[N-]2)C1	REAL300033623541	0	41	-1.0	-59.48	356.59	-1.43	-60.91
CC1(C)CC(CNC(=O)C2=NSNC2=O)N(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300033623544	0	45	-1.0	-71.92	380.29	3.73	-68.19
CC1(C)CC(CNC(=O)C2=NSNC2=O)N(C(=O)C2=CC(F)=CC=C2O)C1	REAL300033623628	0	45	-1.0	-54.59	377.05	4.54	-50.05
CC1(C)CC(CNC(=O)C2=NSNC2=O)N(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300033623628	1	45	-1.0	-54.59	377.05	4.54	-50.05
CC1=CC=NC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=NSNC2=O)=C1O	REAL300033623666	0	47	-1.0	-73.28	393.20	3.73	-69.55
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CN1[N-]C(C(=O)NCC2CC(C)(C)CN2C(=O)C2=NSNC2=O)=CC1=O	REAL300033624504	0	45	-1.0	-59.66	384.88	1.07	-58.59
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C[PH](C)([O-])C(=O)C(=O)N1CC2CC2(CNC(=O)C2=NSNC2=O)C1	REAL300033630469	0	42	-1.0	-52.16	365.74	0.28	-51.88
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CN1N=C(C(=O)N2CC3CC3(CNC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033631414	0	39	-1.0	-58.66	349.11	-0.58	-59.24
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CC(=O)[N-]C1=NC(C(=O)NC2(C)CN(C(=O)C3=NSNC3=O)C2)=CS1	REAL300033643026	1	38	-1.0	-49.68	354.73	-1.37	-51.05
CC1(NC(=O)CCN2C=C[N-]C(=O)C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033643199	1	41	-1.0	-61.35	366.22	-0.73	-62.08
COC1=C(C(=O)NC2(C)CN(C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300033643314	1	39	-1.0	-56.72	349.71	-3.80	-60.52
CC1(NC(=O)C2=NNC(=O)[N-]C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033643444	0	34	-1.0	-53.76	316.15	-4.99	-58.75
CC1(NC(=O)CN2C(=O)[N-]NC2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033643557	0	36	-1.0	-53.47	330.25	-3.33	-56.80
CC1(NC(=O)CN2[N-]C=C3C2=NC=NC3=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033643705	0	40	-1.0	-56.37	363.83	-0.44	-56.81
CC1(NC(=O)C2=C[N-]N=CC2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033645083	0	34	-1.0	-46.00	308.80	-0.77	-46.77
CC1(NC(=O)C2=CC=C3N=NN([O-])C3=C2)CN(C(=O)C2=NSNC2=O)C1	REAL300033645124	0	38	-1.0	-62.18	343.78	-0.24	-62.42
CC1=C(CC(=O)NC2(C)CN(C(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300033645138	0	42	-1.0	-57.44	368.08	0.21	-57.23
CC1(NC(=O)C2=CC(=O)N[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300033645229	0	33	-1.0	-51.09	304.60	-2.93	-54.02
CC1(NC(=O)C(=O)[PH](C)(C)[O-])CN(C(=O)C2=NSNC2=O)C1	REAL300033645233	0	38	-1.0	-53.94	338.87	-1.34	-55.28
CN1[N-]C(CC(=O)NC2(C)CN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033645236	0	39	-1.0	-58.32	348.07	-0.57	-58.89
CC1(NC(=O)C2=CC=CN([O-])C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033645279	0	36	-1.0	-67.12	325.08	1.39	-65.73
CSC1=NC=C(C(=O)NC2(C)CN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033645303	1	38	-1.0	-53.62	351.21	-0.89	-54.51
CC1=C([O-])N=C(C(=O)NC2(C)CN(C(=O)C3=NSNC3=O)C2)S1	REAL300033645326	1	35	-1.0	-60.50	331.36	-2.72	-63.22
CC1(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300033645346	1	35	-1.0	-47.52	334.73	0.45	-47.07
CC1(NC(=O)C2=CC(=O)N([O-])C=C2)CN(C(=O)C2=NSNC2=O)C1	REAL300033645365	0	36	-1.0	-67.25	327.58	1.13	-66.12
CC1(NC(=O)C2=CC=CC(=O)N2[O-])CN(C(=O)C2=NSNC2=O)C1	REAL300033645428	0	36	-1.0	-75.33	324.66	2.04	-73.29
CC1(NC(=O)C[N-]C(=O)C(F)(F)F)CN(C(=O)C2=NSNC2=O)C1	REAL300033645613	0	35	-1.0	-48.96	334.70	-3.04	-52.00
CC1(NC(=O)CC2=C([O-])N=C(N)S2)CN(C(=O)C2=NSNC2=O)C1	REAL300033645614	0	37	-1.0	-64.63	345.92	-3.78	-68.41
CC1(NC(=O)CC2=NC([O-])=CS2)CN(C(=O)C2=NSNC2=O)C1	REAL300033645682	0	35	-1.0	-66.51	331.01	-2.92	-69.43
CCC1=NC=C(C(=O)NC2(C)CN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033645708	1	40	-1.0	-52.61	349.97	-0.40	-53.01
CC1(NC(=O)CN2N=CC(=O)[N-]C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033645721	0	37	-1.0	-57.16	340.60	-4.44	-61.60
CC1(NC(=O)C2=C(Cl)C(=O)[N-]S2)CN(C(=O)C2=NSNC2=O)C1	REAL300033645806	0	32	-1.0	-51.75	322.14	-1.54	-53.29
COCC1=NC=C(C(=O)NC2(C)CN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300033645918	0	41	-1.0	-53.36	362.90	-2.16	-55.52
COCC1=NC=C(C(=O)NC2(C)CN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033645918	1	41	-1.0	-53.36	362.90	-2.16	-55.52
CC1(NC(=O)C2=CN=C(CC3CC3)NC2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033645931	0	44	-1.0	-52.59	380.90	1.19	-51.40
CC1(NC(=O)C2=CN=C(CC3CC3)[N-]C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033645931	1	44	-1.0	-52.59	380.90	1.19	-51.40
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)CCCN2C(=O)[N-]NC2=O)C1	REAL300033648207	0	42	-1.0	-54.39	375.14	-2.27	-56.66
CC(C)CN1[N-]C(CC(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033648418	0	48	-1.0	-61.09	411.97	1.81	-59.28
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300033648478	1	41	-1.0	-60.08	369.27	-0.20	-60.28
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC(C)(NC(=O)C2=NSNC2=O)C1	REAL300033648731	0	41	-1.0	-46.06	366.15	-0.99	-47.05
CC1=C(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C(C)C)=N1	REAL300033649286	1	46	-1.0	-61.24	398.16	0.25	-60.99
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)CCC2=NNC(=O)[N-]C2=O)C1	REAL300033649633	0	40	-1.0	-54.28	363.17	-4.94	-59.22
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1	REAL300033649643	0	38	-1.0	-55.74	345.30	1.88	-53.86
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300033649662	1	36	-1.0	-58.76	337.58	2.04	-56.72
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300033649703	1	37	-1.0	-54.44	340.21	0.44	-54.00
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C1	REAL300033649740	0	38	-1.0	-62.91	349.37	0.03	-62.88
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1	REAL300033649812	0	38	-1.0	-65.41	346.86	2.89	-62.52
CCC1=NC=C(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033649851	1	40	-1.0	-58.50	358.44	-0.86	-59.36
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300033649881	1	32	-1.0	-55.23	299.89	-3.52	-58.75
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300033652985	0	36	-1.0	-64.05	333.49	0.24	-63.81
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300033653058	0	36	-1.0	-53.71	341.53	0.70	-53.01
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1	REAL300033653067	1	37	-1.0	-52.89	339.44	-0.44	-53.33
COC1=NC(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300033653074	0	38	-1.0	-55.79	343.75	-4.68	-60.47
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1	REAL300033653077	0	38	-1.0	-56.07	348.32	-1.12	-57.19
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300033653090	0	35	-1.0	-58.53	332.60	1.15	-57.38
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C1	REAL300033653097	1	39	-1.0	-59.93	364.92	1.75	-58.18
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300033653149	0	36	-1.0	-58.15	335.37	0.60	-57.55
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300033653161	0	35	-1.0	-60.87	312.43	-0.08	-60.95
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300033653171	0	32	-1.0	-57.45	299.75	-2.65	-60.10
CC1=C([O-])N=C(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)S1	REAL300033653222	1	35	-1.0	-62.17	331.38	-2.56	-64.73
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1	REAL300033653284	1	42	-1.0	-64.67	372.69	2.62	-62.05
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1	REAL300033653303	1	42	-1.0	-65.49	365.85	3.88	-61.61
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1	REAL300033653312	1	42	-1.0	-68.59	366.97	3.82	-64.77
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300033653372	1	38	-1.0	-55.06	342.28	0.29	-54.77
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300033653412	0	35	-1.0	-64.59	338.17	-1.69	-66.28
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300033653450	1	35	-1.0	-49.28	334.42	0.45	-48.83
CSC1=NC=C(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033653481	1	38	-1.0	-59.40	359.75	-1.37	-60.77
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300033653491	0	36	-1.0	-52.32	325.44	-4.26	-56.58
CCN1[N-]C(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033653590	0	39	-1.0	-55.82	349.28	-0.33	-56.15
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)CNC(=O)C2=NC=CC=C2[O-])C1	REAL300033653602	1	42	-1.0	-64.32	377.97	-1.14	-65.46
CN1[N-]C(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033653616	0	36	-1.0	-55.20	327.55	-1.26	-56.46
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1	REAL300033653630	1	39	-1.0	-64.93	352.53	-1.39	-66.32
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300033653635	0	36	-1.0	-55.30	344.25	-3.16	-58.46
CC1=C(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300033653637	1	38	-1.0	-63.68	356.53	-1.62	-65.30
CC1=C(C(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)C(=O)[N-]C(C2CC2)=N1	REAL300033653648	1	44	-1.0	-62.01	388.35	0.45	-61.56
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1	REAL300033653715	1	41	-1.0	-60.85	367.33	0.73	-60.12
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300033653843	1	36	-1.0	-57.32	327.59	-2.44	-59.76
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300033653850	1	36	-1.0	-57.37	325.53	0.15	-57.22
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300033653924	0	36	-1.0	-57.07	331.73	0.22	-56.85
CC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300033653930	0	35	-1.0	-58.73	328.62	0.36	-58.37
CC1=C(CC(=O)N2CC(C)(NC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300033653955	0	42	-1.0	-59.63	370.79	0.02	-59.61
CC1(C)CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300033655564	0	43	-1.0	-68.51	358.45	-2.53	-71.04
CC1(C)CCN(C(=O)C2=NSNC2=O)CC1NC(=O)CN1C(=O)[N-]NC1=O	REAL300033655606	0	45	-1.0	-72.59	372.57	-0.86	-73.45
CC1(C)CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300033655889	0	45	-1.0	-78.69	369.49	3.70	-74.99
CC1(C)CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300033655953	0	45	-1.0	-60.72	369.95	-1.22	-61.94
CC1(C)CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=COC(=O)[N-]1	REAL300033655964	1	41	-1.0	-59.34	342.07	-1.44	-60.78
CCN1[N-]C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CCC2(C)C)=CC1=O	REAL300033656057	0	48	-1.0	-66.13	391.44	2.19	-63.94
CC1(C)CCN(C(=O)C2=NSNC2=O)CC1NC(=O)CC1=CC(=O)N[N-]1	REAL300033656063	1	45	-1.0	-70.81	367.26	0.22	-70.59
CN1N=C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CCC2(C)C)[N-]C1=O	REAL300033656079	0	44	-1.0	-69.30	364.22	-0.25	-69.55
CC1(C)CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=C[N-]N=CC1=O	REAL300033656123	0	43	-1.0	-54.36	350.83	1.75	-52.61
CC1(C)CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(=O)N[N-]1	REAL300033656174	0	42	-1.0	-64.72	346.86	-0.37	-65.09
CC1(C)CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300033656178	0	47	-1.0	-67.24	381.02	1.14	-66.10
CC1(C)CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=CN([O-])C1=O	REAL300033656197	0	45	-1.0	-68.26	366.89	3.75	-64.51
CC1SC(C(=O)NC2CN(C(=O)C3=NSNC3=O)CCC2(C)C)=NC1=O	REAL300033656215	0	44	-1.0	-68.00	373.63	-0.25	-68.25
CC1=C([O-])N=C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CCC2(C)C)S1	REAL300033656215	1	44	-1.0	-68.00	373.63	-0.25	-68.25
CC1(C)CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300033656226	0	45	-1.0	-77.62	369.60	3.67	-73.95
CC1(C)CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300033656245	0	45	-1.0	-97.38	366.66	4.66	-92.72
CC1(C)CCN(C(=O)C2=NSNC2=O)CC1NC(=O)CC1=NC([O-])=CS1	REAL300033656329	0	44	-1.0	-85.08	373.37	-0.48	-85.56
CC1=CC(=O)C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CCC2(C)C)=N[N-]1	REAL300033656448	0	46	-1.0	-68.27	375.65	3.33	-64.94
CC1(C)CCN(C(=O)C2=NSNC2=O)CC1NC(=O)C1=NNC(=O)[N-]1	REAL300033656456	0	41	-1.0	-68.22	341.35	-1.83	-70.05
CC1(C)CCN(C(=O)C2=NC=CC=C2O)CC1NC(=O)C1=NSNC1=O	REAL300033656772	0	44	-1.0	-80.05	361.31	2.66	-77.39
CC1(C)CCN(C(=O)C2=NC=CC=C2[O-])CC1NC(=O)C1=NSNC1=O	REAL300033656772	1	44	-1.0	-80.05	361.31	2.66	-77.39
CC1(C)CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1NC(=O)C1=NSNC1=O	REAL300033656861	0	43	-1.0	-67.95	358.35	-2.61	-70.56
CC1(C)CCN(C(=O)CN2C(=O)[N-]NC2=O)CC1NC(=O)C1=NSNC1=O	REAL300033656948	0	45	-1.0	-62.02	375.33	-1.04	-63.06
CC1(C)CCN(C(=O)C2=COC(=O)[N-]2)CC1NC(=O)C1=NSNC1=O	REAL300033657744	1	41	-1.0	-56.55	341.78	-0.34	-56.89
CC1(C)CCN(C(=O)C2=CC=C([O-])C=C2F)CC1NC(=O)C1=NSNC1=O	REAL300033657806	1	45	-1.0	-56.75	374.36	2.73	-54.02
CC1(C)CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1NC(=O)C1=NSNC1=O	REAL300033657809	0	44	-1.0	-59.33	369.09	1.99	-57.34
CC1=CC=C([O-])C(C(=O)N2CCC(C)(C)C(NC(=O)C3=NSNC3=O)C2)=N1	REAL300033657856	1	47	-1.0	-67.72	382.88	3.33	-64.39
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C[C@H](NC(=O)C1=NSNC1=O)C1CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300033687498	1	39	-1.0	-63.28	352.99	-1.28	-64.56
C[C@H](NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300033687504	1	39	-1.0	-60.28	351.23	1.17	-59.11
C[C@H](NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300033687566	0	39	-1.0	-59.24	357.03	1.31	-57.93
C[C@H](NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300033687572	0	38	-1.0	-65.00	353.64	1.55	-63.45
CC1=C(CC(=O)N2CC([C@H](C)NC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300033687592	0	45	-1.0	-65.02	394.79	0.92	-64.10
CC1=CN=C(C(=O)N2CC([C@H](C)NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300033687641	1	41	-1.0	-67.96	363.56	2.27	-65.69
C[C@H](NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1	REAL300033687655	0	40	-1.0	-62.02	379.80	-0.80	-62.82
C[C@H](NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC([O-])=CS2)C1	REAL300033687675	0	36	-1.0	-65.40	337.41	0.26	-65.14
C[C@H](NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300033687697	0	39	-1.0	-71.64	350.19	1.71	-69.93
C[C@H](NC(=O)C1=CC(=O)N(C)[N-]1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033687932	0	39	-1.0	-58.45	353.13	-0.21	-58.66
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NSNC2=O)C1	REAL300033687944	0	39	-1.0	-61.13	366.87	-2.01	-63.14
CC1=C(C(=O)N[C@@H](C)C2CN(C(=O)C3=NSNC3=O)C2)C(=S)[N-]C(=O)N1	REAL300033687945	1	41	-1.0	-73.81	381.13	-0.64	-74.45
CC1(C)CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=COC(=O)[N-]1	REAL300033689380	1	44	-1.0	-60.46	359.28	-1.44	-61.90
CC1(C)CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)CC1=CC(=O)N[N-]1	REAL300033689457	1	48	-1.0	-62.49	384.77	0.20	-62.29
CN1N=C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCC2(C)C)[N-]C1=O	REAL300033689466	0	47	-1.0	-62.88	381.35	-0.22	-63.10
CC1(C)CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=C[N-]N=CC1=O	REAL300033689495	0	46	-1.0	-54.11	368.33	1.72	-52.39
CC1(C)CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(=O)N[N-]1	REAL300033689529	0	45	-1.0	-57.57	364.11	-0.45	-58.02
CC1(C)CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=NC(=O)N[N-]1	REAL300033689693	0	44	-1.0	-59.75	358.96	-1.69	-61.44
CC1(C)CCN(C(=O)C2=NC=CC=C2[O-])CC1CNC(=O)C1=NSNC1=O	REAL300033689984	1	47	-1.0	-61.83	376.24	3.29	-58.54
CC1(C)CCN(C(=O)C2=COC(=O)[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300033690451	1	44	-1.0	-48.06	359.00	-0.31	-48.37
CC1(C)CCN(C(=O)C2=C[N-]N=CC2=O)CC1CNC(=O)C1=NSNC1=O	REAL300033690518	0	46	-1.0	-48.63	377.44	1.14	-47.49
CC1(C)CCN(C(=O)C2=CC(=O)N[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300033690575	0	45	-1.0	-48.98	363.87	-0.39	-49.37
CC1(C)CCN(C(=O)C2=NC(=O)N[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300033690608	0	44	-1.0	-47.64	358.60	-0.99	-48.63
CC1(C)CCN(C(=O)C2=CN=CC([O-])=C2)CC1CNC(=O)C1=NSNC1=O	REAL300033690713	1	47	-1.0	-54.64	379.48	0.71	-53.93
CN1N=C(C(=O)N2CCC(C)(C)C(CNC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033690817	0	47	-1.0	-55.61	381.40	-0.23	-55.84
CC1(C)CCN(C(=O)C2=CC=NC=C2[O-])CC1CNC(=O)C1=NSNC1=O	REAL300033690937	0	47	-1.0	-59.49	379.22	0.94	-58.55
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=NSNC1=O	REAL300033690939	0	44	-1.0	-53.77	358.78	-0.41	-54.18
CN1[N-]C(C(=O)N2CCC(C)(C)C(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033691021	0	48	-1.0	-51.55	386.60	1.30	-50.25
CC1(C)CCN(C(=O)CC2=CC(=O)N[N-]2)CC1CNC(=O)C1=NSNC1=O	REAL300033691066	1	48	-1.0	-57.86	387.80	0.04	-57.82
CC1(C)CCN(C(=O)C2=CC([O-])=CS2)CC1CNC(=O)C1=NSNC1=O	REAL300033691109	0	45	-1.0	-59.37	374.35	1.51	-57.86
CN1[N-]C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CCC2(C)C)=CC1=O	REAL300033691166	0	48	-1.0	-60.05	386.92	1.26	-58.79
CC1(C)CCN(C(=O)C2=NSNC2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300033691269	0	44	-1.0	-61.50	358.85	0.03	-61.47
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CCN1[N-]C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2F)=CC1=O	REAL300033694132	0	39	-1.0	-60.36	352.10	0.48	-59.88
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CN1N=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2F)[N-]C1=O	REAL300033694194	0	35	-1.0	-63.60	324.96	-1.98	-65.58
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1F)C1=C[N-]N=CC1=O	REAL300033694300	0	34	-1.0	-47.22	312.52	0.04	-47.18
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1F)C1=CC=C2N=NN([O-])C2=C1	REAL300033694336	0	38	-1.0	-70.48	348.27	0.41	-70.07
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1F)C1=CC(=O)N[N-]1	REAL300033694430	0	33	-1.0	-56.96	307.55	-2.16	-59.12
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1F	REAL300033694435	0	38	-1.0	-55.75	346.83	-0.95	-56.70
O=C(CCC1=NC(=O)NN1)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1F	REAL300033694473	0	38	-1.0	-66.96	344.13	-2.60	-69.56
O=C(CCC1=NC(=O)[N-]N1)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1F	REAL300033694473	1	38	-1.0	-66.96	344.13	-2.60	-69.56
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1F)C1=CC=CN([O-])C1=O	REAL300033694480	0	36	-1.0	-66.28	328.38	1.97	-64.31
CC1SC(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2F)=NC1=O	REAL300033694521	0	35	-1.0	-62.30	335.13	-2.16	-64.46
CC1=C([O-])N=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2F)S1	REAL300033694521	1	35	-1.0	-62.30	335.13	-2.16	-64.46
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1F)C1=CC(=O)C=C(Cl)N1	REAL300033694538	0	35	-1.0	-54.42	337.82	1.12	-53.30
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1F)C1=CC(=O)C=C(Cl)[N-]1	REAL300033694538	1	35	-1.0	-54.42	337.82	1.12	-53.30
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1F)C1=CC(=O)N([O-])C=C1	REAL300033694558	0	36	-1.0	-73.81	332.06	1.88	-71.93
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1F)C1=CC=CC(=O)N1[O-]	REAL300033694608	0	36	-1.0	-88.10	327.74	2.88	-85.22
O=C(C[N-]C(=O)C(F)(F)F)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1F	REAL300033694771	0	35	-1.0	-56.08	338.40	-2.39	-58.47
NC1=NC([O-])=C(CC(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2F)S1	REAL300033694772	0	37	-1.0	-78.59	350.37	-3.12	-81.71
O=C(CC1=NC([O-])=CS1)N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1F	REAL300033694827	0	35	-1.0	-79.24	334.72	-2.37	-81.61
O=C(N[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1F)C1=C(Cl)C(=O)[N-]S1	REAL300033694934	0	32	-1.0	-58.41	325.19	-0.88	-59.29
CC1=CC=NC(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](F)C2)=C1[O-]	REAL300033698991	1	38	-1.0	-64.50	341.14	2.16	-62.34
O=C(N[C@@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@@H]1F)C1=NSNC1=O	REAL300033699142	1	35	-1.0	-51.15	318.35	-1.15	-52.30
O=C(N[C@@H]1CN(C(=O)C2=CC=CC(=S)N2[O-])C[C@@H]1F)C1=NSNC1=O	REAL300033699154	0	36	-1.0	-76.62	349.50	1.95	-74.67
O=C(N[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C[C@@H]1F)C1=NSNC1=O	REAL300033699302	0	35	-1.0	-47.40	339.13	0.28	-47.12
O=C(N[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2Cl)C[C@@H]1F)C1=NSNC1=O	REAL300033699359	1	36	-1.0	-57.19	339.82	1.19	-56.00
N#CC1=CC(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](F)C2)=C([O-])C=C1N	REAL300033699361	0	39	-1.0	-63.57	359.63	-0.15	-63.72
O=C(CC1=NC([O-])=CS1)N1C[C@@H](NC(=O)C2=NSNC2=O)[C@@H](F)C1	REAL300033699373	0	35	-1.0	-71.00	339.06	-2.43	-73.43
O=C(N[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2F)C[C@@H]1F)C1=NSNC1=O	REAL300033699394	0	36	-1.0	-63.43	337.88	1.02	-62.41
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@@H](NC(=O)C2=NSNC2=O)[C@@H](F)C1	REAL300033699396	0	38	-1.0	-57.25	354.40	-1.80	-59.05
O=C(N[C@@H]1CN(C(=O)C2=CC=C(F)C=C2[O-])C[C@@H]1F)C1=NSNC1=O	REAL300033699398	0	36	-1.0	-69.02	330.94	2.05	-66.97
CC1=CC=C(F)C([O-])=C1C(=O)N1C[C@@H](NC(=O)C2=NSNC2=O)[C@@H](F)C1	REAL300033699443	0	39	-1.0	-68.81	357.82	1.54	-67.27
O=C(CC1SC(=O)[N-]C1=O)N1C[C@@H](NC(=O)C2=NSNC2=O)[C@@H](F)C1	REAL300033699526	0	36	-1.0	-50.39	346.60	-3.21	-53.60
O=C(N[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C[C@@H]1F)C1=NSNC1=O	REAL300033699554	0	36	-1.0	-58.13	339.24	0.93	-57.20
O=C(N[C@@H]1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C[C@@H]1F)C1=NSNC1=O	REAL300033699557	1	37	-1.0	-52.50	354.58	-0.58	-53.08
O=C(N[C@@H]1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C[C@@H]1F)C1=NSNC1=O	REAL300033699562	0	36	-1.0	-64.39	342.69	2.20	-62.19
CC1=CC(=O)C(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](F)C2)=N[N-]1	REAL300033699597	0	37	-1.0	-58.45	336.75	1.46	-56.99
O=C(C=C([O-])C1=CC=C(O)C=C1)N1C[C@@H](NC(=O)C2=NSNC2=O)[C@@H](F)C1	REAL300033699602	0	41	-1.0	-68.70	370.07	1.24	-67.46
O=C(N[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@@H]1F)C1=NSNC1=O	REAL300033699631	0	36	-1.0	-73.04	338.39	1.32	-71.72
N#CC1=CC=C(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](F)C2)C(=O)[N-]1	REAL300033699670	0	36	-1.0	-54.94	348.53	-0.78	-55.72
O=C(N[C@@H]1CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C[C@@H]1F)C1=NSNC1=O	REAL300033699696	0	38	-1.0	-51.46	352.44	2.25	-49.21
CN1N=C(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](F)C2)[N-]C1=O	REAL300033699736	0	35	-1.0	-57.85	326.61	-2.07	-59.92
[N-]=[N+]=NC1=CC(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](F)C2)=CC=C1[O-]	REAL300033699767	0	38	-1.0	-49.83	355.20	-1.40	-51.23
O=C(N[C@@H]1CN(C(=O)C2=C(F)C=CC(O)=C2O)C[C@@H]1F)C1=NSNC1=O	REAL300033699808	0	37	-1.0	-59.83	349.89	-0.85	-60.68
O=C(N[C@@H]1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C[C@@H]1F)C1=NSNC1=O	REAL300033699808	1	37	-1.0	-59.83	349.89	-0.85	-60.68
N#CC1=CC=C([O-])C(C(=O)N2C[C@@H](NC(=O)C3=NSNC3=O)[C@@H](F)C2)=C1	REAL300033699818	0	37	-1.0	-57.10	346.07	2.49	-54.61
O=C(N[C@@H]1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C[C@@H]1F)C1=NSNC1=O	REAL300033699938	0	36	-1.0	-57.85	343.46	-1.14	-58.99
O=C(N[C@@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2)C[C@@H]1F)C1=NSNC1=O	REAL300033699998	1	36	-1.0	-55.95	328.73	0.59	-55.36
O=C(N[C@@H]1CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C[C@@H]1F)C1=NSNC1=O	REAL300033700008	0	38	-1.0	-65.88	352.69	2.64	-63.24
O=C(N[C@@H]1CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C[C@@H]1F)C1=NSNC1=O	REAL300033700011	0	38	-1.0	-57.82	354.13	2.26	-55.56
O=C(N[C@@H]1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C[C@@H]1F)C1=NSNC1=O	REAL300033700023	1	36	-1.0	-68.58	341.26	2.50	-66.08
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O=C(N[C@@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C[C@@H]1F)C1=NSNC1=O	REAL300033700114	0	34	-1.0	-48.91	321.15	-3.94	-52.85
O=C(N[C@@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C[C@@H]1F)C1=NSNC1=O	REAL300033700114	1	34	-1.0	-48.91	321.15	-3.94	-52.85
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O=C(NCC12CCC1CCN2C(=O)C1=CC(F)=CC=C1O)C1=NSNC1=O	REAL300033735443	0	43	-1.0	-58.90	359.90	4.44	-54.46
O=C(NCC12CCC1CCN2C(=O)C1=CC(F)=CC=C1[O-])C1=NSNC1=O	REAL300033735443	1	43	-1.0	-58.90	359.90	4.44	-54.46
CC1=CC=NC(C(=O)N2CCC3CCC32CNC(=O)C2=NSNC2=O)=C1O	REAL300033735482	0	45	-1.0	-75.85	371.93	3.84	-72.01
CC1=CC=NC(C(=O)N2CCC3CCC32CNC(=O)C2=NSNC2=O)=C1[O-]	REAL300033735482	1	45	-1.0	-75.85	371.93	3.84	-72.01
O=C(NCC12CCC1CCN2C(=O)C1=CN=CC(O)=C1)C1=NSNC1=O	REAL300033735538	0	42	-1.0	-58.94	349.81	1.30	-57.64
O=C(NCC12CCC1CCN2C(=O)C1=CN=CC([O-])=C1)C1=NSNC1=O	REAL300033735538	1	42	-1.0	-58.94	349.81	1.30	-57.64
O=C(CC1=NC([O-])=CS1)N1CCC2CCC21CNC(=O)C1=NSNC1=O	REAL300033735621	0	42	-1.0	-79.80	371.53	-0.81	-80.61
CC1=CC(=O)C(C(=O)N2CCC3CCC32CNC(=O)C2=NSNC2=O)=N[N-]1	REAL300033735710	0	44	-1.0	-61.92	369.90	3.09	-58.83
O=C(NCC12CCC1CCN2C(=O)C1=CC=CC(=O)N1[O-])C1=NSNC1=O	REAL300033735720	0	43	-1.0	-84.11	359.10	4.59	-79.52
CN1N=C(C(=O)N2CCC3CCC32CNC(=O)C2=NSNC2=O)[N-]C1=O	REAL300033735757	0	42	-1.0	-63.85	358.80	-0.39	-64.24
N#CC1=CC=C([O-])C(C(=O)N2CCC3CCC32CNC(=O)C2=NSNC2=O)=C1	REAL300033735791	0	44	-1.0	-55.69	374.38	4.79	-50.90
O=C(NCC12CCC1CCN2C(=O)C1=CC=C(F)C(O)=C1)C1=NSNC1=O	REAL300033735868	0	43	-1.0	-65.55	361.13	3.21	-62.34
O=C(NCC12CCC1CCN2C(=O)C1=CC=C(F)C([O-])=C1)C1=NSNC1=O	REAL300033735868	1	43	-1.0	-65.55	361.13	3.21	-62.34
O=C(NCC12CCC1CCN2C(=O)C1=NC(=O)[N-]C(=O)N1)C1=NSNC1=O	REAL300033735909	0	41	-1.0	-55.15	354.29	-3.11	-58.26
O=C(NCC12CCC1CCN2C(=O)C1=NC(=O)NC(=O)[N-]1)C1=NSNC1=O	REAL300033735909	1	41	-1.0	-52.19	354.25	-2.39	-54.58
NC1=NC=C(C(=O)N2CCC3CCC32CNC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033735938	1	43	-1.0	-59.52	369.46	0.26	-59.26
O=C(C1=COC(=O)[N-]1)N1CCC(C2CCCN2C(=O)C2=NSNC2=O)C1	REAL300033737769	1	42	-1.0	-58.40	350.95	1.16	-57.24
O=C(CC1=CC(=O)N[N-]1)N1CCC(C2CCCN2C(=O)C2=NSNC2=O)C1	REAL300033737847	1	46	-1.0	-66.75	380.77	1.88	-64.87
CN1N=C(C(=O)N2CCC(C3CCCN3C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033737856	0	45	-1.0	-64.92	374.32	1.57	-63.35
O=C(C1=NSNC1=O)N1CCCC1C1CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300033737888	0	44	-1.0	-61.73	369.32	2.99	-58.74
O=C(C1=CC(=O)N[N-]1)N1CCC(C2CCCN2C(=O)C2=NSNC2=O)C1	REAL300033737922	0	43	-1.0	-58.81	356.89	1.31	-57.50
O=C(C1=NC(=O)N[N-]1)N1CCC(C2CCCN2C(=O)C2=NSNC2=O)C1	REAL300033738093	0	42	-1.0	-57.19	349.72	0.28	-56.91
O=C(C1=NSNC1=O)N1CCC(C2CCCN2C(=O)C2=NC=CC=C2[O-])C1	REAL300033738387	1	45	-1.0	-69.47	368.63	5.08	-64.39
O=C(C1=COC(=O)[N-]1)N1CCCC1C1CCN(C(=O)C2=NSNC2=O)C1	REAL300033738776	1	42	-1.0	-53.12	351.88	1.24	-51.88
O=C(C1=NSNC1=O)N1CCC(C2CCCN2C(=O)C2=C[N-]N=CC2=O)C1	REAL300033738843	0	44	-1.0	-44.07	358.29	2.85	-41.22
O=C(C1=CC(=O)N[N-]1)N1CCCC1C1CCN(C(=O)C2=NSNC2=O)C1	REAL300033738892	0	43	-1.0	-55.45	356.75	1.39	-54.06
O=C(C1=NC(=O)N[N-]1)N1CCCC1C1CCN(C(=O)C2=NSNC2=O)C1	REAL300033738919	0	42	-1.0	-53.61	351.50	0.63	-52.98
CC(NC(=O)C1=NNC(=O)[N-]C1=O)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300033740246	0	41	-1.0	-59.93	357.48	-4.55	-64.48
CC(NC(=O)CN1C(=O)[N-]NC1=O)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300033740290	0	43	-1.0	-62.40	372.97	-2.47	-64.87
CC(NC(=O)C1=CN([O-])C(=O)C=C1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300033740627	0	43	-1.0	-72.09	368.13	1.57	-70.52
CC(NC(=O)C1=CC(=O)NC([O-])=C1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300033740699	0	43	-1.0	-53.39	368.60	-3.35	-56.74
CC(NC(=O)C1=COC(=O)[N-]1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300033740709	1	39	-1.0	-54.59	341.09	-3.46	-58.05
CCN1[N-]C(C(=O)NC(C)C2CN(C(=O)C3=NSNC3=O)CCO2)=CC1=O	REAL300033740813	0	46	-1.0	-58.51	390.07	0.13	-58.38
CC(NC(=O)CC1=CC(=O)N[N-]1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300033740820	1	43	-1.0	-64.57	366.18	-1.90	-66.47
CC(NC(=O)C1=NN(C)C(=O)[N-]1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300033740838	0	42	-1.0	-61.36	362.79	-2.32	-63.68
CC(NC(=O)C1=C[N-]N=CC1=O)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300033740888	0	41	-1.0	-48.45	350.14	-0.32	-48.77
CC(NC(=O)C1=CC(=O)N[N-]1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300033740943	0	40	-1.0	-54.86	345.53	-2.52	-57.38
CC(NC(=O)C(=O)[PH](C)(C)[O-])C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300033740948	0	45	-1.0	-54.33	381.29	-0.51	-54.84
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=COC(=O)[N-]2)CCO1	REAL300033742527	1	39	-1.0	-48.15	340.42	-2.37	-50.52
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=C([O-])C=C2F)CCO1	REAL300033742588	1	43	-1.0	-55.58	371.79	0.53	-55.05
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC([O-])=CC(=O)O2)CCO1	REAL300033742591	0	42	-1.0	-51.84	366.12	-0.31	-52.15
CC1=CC=C([O-])C(C(=O)N2CCOC(C(C)NC(=O)C3=NSNC3=O)C2)=N1	REAL300033742635	1	45	-1.0	-66.13	379.39	1.73	-64.40
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)CCC2=NC(=O)[N-]N2)CCO1	REAL300033742636	1	45	-1.0	-61.00	385.92	-2.55	-63.55
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=C[N-]N=CC2=O)CCO1	REAL300033742645	0	41	-1.0	-51.36	358.79	-0.98	-52.34
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=CC(F)=C2[O-])CCO1	REAL300033742652	0	43	-1.0	-66.23	373.17	1.89	-64.34
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=CC([O-])=C2F)CCO1	REAL300033742703	1	43	-1.0	-66.69	373.66	1.00	-65.69
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(=O)N[N-]2)CCO1	REAL300033742764	0	40	-1.0	-51.12	345.67	-2.45	-53.57
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C(=O)[PH](C)(C)[O-])CCO1	REAL300033742769	0	45	-1.0	-50.08	381.69	-0.45	-50.53
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(=O)N([O-])C=C2)CCO1	REAL300033742814	0	43	-1.0	-64.11	378.07	1.65	-62.46
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=NNC(=O)[N-]2)CCO1	REAL300033742828	0	39	-1.0	-54.40	341.86	-3.50	-57.90
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=CN([O-])C2=O)CCO1	REAL300033742831	0	43	-1.0	-64.18	368.97	0.96	-63.22
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(F)=CC=C2O)CCO1	REAL300033742925	0	43	-1.0	-60.16	373.72	1.44	-58.72
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(F)=CC=C2[O-])CCO1	REAL300033742925	1	43	-1.0	-60.16	373.72	1.44	-58.72
CC1=CC=NC(C(=O)N2CCOC(C(C)NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300033742965	1	45	-1.0	-64.34	382.31	1.85	-62.49
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CN=CC([O-])=C2)CCO1	REAL300033743019	1	42	-1.0	-58.56	360.73	-1.42	-59.98
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)CC2=NC([O-])=CS2)CCO1	REAL300033743091	0	42	-1.0	-73.97	377.10	-2.32	-76.29
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=C([O-])C=CC=C2F)CCO1	REAL300033743101	0	43	-1.0	-60.27	375.83	0.72	-59.55
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=C(F)C=C2[O-])CCO1	REAL300033743102	0	43	-1.0	-63.81	371.53	1.43	-62.38
CC1=CC(=O)C(C(=O)N2CCOC(C(C)NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033743184	0	44	-1.0	-54.87	374.58	1.22	-53.65
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=CC(=O)N2[O-])CCO1	REAL300033743198	0	43	-1.0	-74.16	377.56	1.40	-72.76
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=NN(C)C(=O)[N-]2)CCO1	REAL300033743239	0	42	-1.0	-57.56	364.97	-1.83	-59.39
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=C(F)C([O-])=C2)CCO1	REAL300033743348	1	43	-1.0	-59.63	371.16	0.48	-59.15
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCO1	REAL300033743390	0	41	-1.0	-50.38	359.46	-4.13	-54.51
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCO1	REAL300033743390	1	41	-1.0	-50.38	359.46	-4.13	-54.51
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CN=C(N)NC2=O)CCO1	REAL300033743424	0	43	-1.0	-59.59	373.58	-2.32	-61.91
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CN=C(N)[N-]C2=O)CCO1	REAL300033743424	1	43	-1.0	-59.59	373.58	-2.32	-61.91
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300033743501	0	39	-1.0	-55.23	340.28	-2.49	-57.72
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=NC(=O)C(C)S2)CCO1	REAL300033743515	0	42	-1.0	-54.25	372.67	-1.66	-55.91
CC1=C([O-])N=C(C(=O)N2CCOC(C(C)NC(=O)C3=NSNC3=O)C2)S1	REAL300033743515	1	42	-1.0	-54.25	372.67	-1.66	-55.91
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(=O)NC([O-])=C2)CCO1	REAL300033743604	0	43	-1.0	-49.25	372.35	-3.45	-52.70
CCN1[N-]C(C(=O)N2CCOC(C(C)NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033743641	0	46	-1.0	-54.63	390.21	0.18	-54.45
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC(=O)N(C)[N-]2)CCO1	REAL300033743656	0	43	-1.0	-53.84	368.40	-0.76	-54.60
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)CC2=CC(=O)NN2)CCO1	REAL300033743732	0	43	-1.0	-62.54	370.67	-1.60	-64.14
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)CC2=CC(=O)N[N-]2)CCO1	REAL300033743732	1	43	-1.0	-62.54	370.67	-1.60	-64.14
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=C(O)C(F)=C2)CCO1	REAL300033743736	0	43	-1.0	-58.98	371.14	0.52	-58.46
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC=C([O-])C(F)=C2)CCO1	REAL300033743736	1	43	-1.0	-58.98	371.14	0.52	-58.46
CC1=CN=C(C(=O)N2CCOC(C(C)NC(=O)C3=NSNC3=O)C2)C(O)=C1	REAL300033743789	0	45	-1.0	-66.26	381.00	2.28	-63.98
CC1=CN=C(C(=O)N2CCOC(C(C)NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300033743789	1	45	-1.0	-66.26	381.00	2.28	-63.98
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CC([O-])=CS2)CCO1	REAL300033743800	0	40	-1.0	-62.62	356.47	-0.21	-62.83
CC(NC(=O)C1=NSNC1=O)C1CN(C(=O)C2=CN([O-])C(=O)C=C2)CCO1	REAL300033743811	0	43	-1.0	-68.75	372.02	1.45	-67.30
CC(NC(=O)C1=CC(=O)N(C)[N-]1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300033743899	0	43	-1.0	-58.77	370.19	-0.34	-59.11
CC([N-]C(=O)C(F)(F)C(F)F)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300033743948	1	38	-1.0	-53.67	341.77	-0.10	-53.77
CC(NC(=O)C1=NC(=O)[N-]C(=O)N1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300033743980	0	41	-1.0	-57.12	360.42	-5.11	-62.23
CC(NC(=O)C1=NC(=O)NC(=O)[N-]1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300033743980	1	41	-1.0	-51.14	359.68	-4.79	-55.93
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NSNC2=O)CCO1	REAL300033744071	0	39	-1.0	-58.61	340.66	-1.98	-60.59
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]12)C1=NNC(=O)[N-]C1=O	REAL300033744878	0	41	-1.0	-59.71	360.90	-2.70	-62.41
O=C(CN1C(=O)[N-]NC1=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]12	REAL300033744929	0	43	-1.0	-62.11	375.66	-0.99	-63.10
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]12)C1=CN([O-])C(=O)C=C1	REAL300033745309	0	43	-1.0	-71.04	371.16	3.46	-67.58
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]12)C1=CC(=O)NC([O-])=C1	REAL300033745388	0	43	-1.0	-53.92	372.68	-1.40	-55.32
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]12)C1=COC(=O)[N-]1	REAL300033745399	1	39	-1.0	-53.59	344.24	-1.66	-55.25
CCN1[N-]C(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]23)=CC1=O	REAL300033745516	0	46	-1.0	-56.02	392.97	2.03	-53.99
O=C(CC1=CC(=O)N[N-]1)NC[C@@H]1C[C@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]12	REAL300033745523	1	43	-1.0	-61.93	369.37	-0.11	-62.04
CN1N=C(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=NSNC4=O)C[C@@H]23)[N-]C1=O	REAL300033745546	0	42	-1.0	-60.71	366.59	-0.42	-61.13
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]12)C1=C[N-]N=CC1=O	REAL300033745603	0	41	-1.0	-47.65	353.81	1.58	-46.07
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]12)C1=CC(=O)N[N-]1	REAL300033745668	0	40	-1.0	-54.04	349.21	-0.62	-54.66
C[PH](C)([O-])C(=O)C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]12	REAL300033745673	0	45	-1.0	-53.27	387.81	0.71	-52.56
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C[C@H]1CN(C(=O)C2=NSNC2=O)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300033783834	0	39	-1.0	-54.88	357.44	-1.62	-56.50
CC1=C(C(=O)N[C@@H]2CN(C(=O)C3=NSNC3=O)C[C@@H]2C)C(=S)[N-]C(=O)N1	REAL300033783835	1	41	-1.0	-60.65	370.19	-0.32	-60.97
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=NNC(=O)[N-]C3=O)C[C@@H]21	REAL300033785607	0	38	-1.0	-75.61	330.22	-2.37	-77.98
O=C(CN1C(=O)[N-]NC1=O)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)[C@H]2C1	REAL300033785698	0	40	-1.0	-78.61	346.99	-0.97	-79.58
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CN([O-])C(=O)C=C3)C[C@@H]21	REAL300033786324	0	40	-1.0	-74.29	348.51	3.33	-70.96
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)NC([O-])=C3)C[C@@H]21	REAL300033786444	0	40	-1.0	-64.33	348.39	-1.41	-65.74
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=COC(=O)[N-]3)C[C@@H]21	REAL300033786455	1	36	-1.0	-71.12	312.94	0.01	-71.11
CCN1[N-]C(C(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)[C@H]3C2)=CC1=O	REAL300033786631	0	43	-1.0	-74.40	362.35	2.47	-71.93
O=C(CC1=CC(=O)N[N-]1)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)[C@H]2C1	REAL300033786639	1	40	-1.0	-81.18	342.18	0.12	-81.06
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CC=CC(=S)N3[O-])C[C@@H]21	REAL300033786657	0	40	-1.0	-99.37	359.70	3.75	-95.62
O=C(CC1SC(=O)[N-]C1=O)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)[C@H]2C1	REAL300033786667	0	40	-1.0	-68.36	355.23	-1.36	-69.72
CN1N=C(C(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)[C@H]3C2)[N-]C1=O	REAL300033786683	0	39	-1.0	-77.16	335.06	0.03	-77.13
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=C[N-]N=CC3=O)C[C@@H]21	REAL300033786774	0	38	-1.0	-72.26	331.95	1.26	-71.00
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)N[N-]3)C[C@@H]21	REAL300033786881	0	37	-1.0	-71.82	318.78	-0.22	-72.04
C[PH](C)([O-])C(=O)C(=O)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)[C@H]2C1	REAL300033786886	0	42	-1.0	-72.65	351.50	0.80	-71.85
O=C(CCC1=NC(=O)NN1)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)[C@H]2C1	REAL300033786914	0	42	-1.0	-71.89	357.44	-0.84	-72.73
O=C(CCC1=NC(=O)[N-]N1)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)[C@H]2C1	REAL300033786914	1	42	-1.0	-71.89	357.44	-0.84	-72.73
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CC=CN([O-])C3=O)C[C@@H]21	REAL300033786918	0	40	-1.0	-96.56	347.84	3.42	-93.14
CC1SC(C(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)[C@H]3C2)=NC1=O	REAL300033786947	0	39	-1.0	-77.52	345.68	0.54	-76.98
CC1=C([O-])N=C(C(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)[C@H]3C2)S1	REAL300033786947	1	39	-1.0	-77.52	345.68	0.54	-76.98
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C[C@@H]21	REAL300033786961	1	39	-1.0	-65.27	348.42	3.40	-61.87
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)N([O-])C=C3)C[C@@H]21	REAL300033786980	0	40	-1.0	-75.21	348.74	3.37	-71.84
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CC=CC(=O)N3[O-])C[C@@H]21	REAL300033787015	0	40	-1.0	-97.58	348.59	3.13	-94.45
O=C(C[N-]C(=O)C(F)(F)F)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)[C@H]2C1	REAL300033787144	0	39	-1.0	-69.03	351.42	-0.60	-69.63
NC1=NC([O-])=C(CC(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)[C@H]3C2)S1	REAL300033787145	0	41	-1.0	-93.83	362.73	-1.36	-95.19
O=C(CC1=NC([O-])=CS1)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)[C@H]2C1	REAL300033787193	0	39	-1.0	-93.35	348.02	-0.59	-93.94
CCC1=NC=C(C(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)[C@H]3C2)C(=O)[N-]1	REAL300033787211	1	44	-1.0	-81.78	372.89	1.56	-80.22
O=C(CN1N=CC(=O)[N-]C1=O)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)[C@H]2C1	REAL300033787220	0	41	-1.0	-84.99	357.60	-2.05	-87.04
CC1=CC(=O)C(C(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)[C@H]3C2)=N[N-]1	REAL300033787439	0	41	-1.0	-75.30	347.63	3.49	-71.81
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=NNC(=O)[N-]3)C[C@@H]21	REAL300033787454	0	36	-1.0	-76.29	313.69	-1.79	-78.08
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CN=C(C=N[O-])S3)C[C@@H]21	REAL300033787571	0	39	-1.0	-81.83	353.49	0.69	-81.14
COC1=NC(C(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)[C@H]3C2)=CC(=O)[N-]1	REAL300033787586	0	42	-1.0	-76.40	357.98	-1.64	-78.04
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=NC=CC=C3[O-])[C@H]2C1	REAL300033787843	1	39	-1.0	-68.52	330.51	3.28	-65.24
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=NNC(=O)[N-]C3=O)[C@H]2C1	REAL300033787959	0	38	-1.0	-64.18	330.57	-2.36	-66.54
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300033788108	0	40	-1.0	-63.08	346.85	-0.66	-63.74
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC(Cl)=CC=C3[O-])[C@H]2C1	REAL300033789293	1	40	-1.0	-66.88	350.45	4.88	-62.00
N#CC1=CC([O-])=CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)=C1	REAL300033789316	1	41	-1.0	-53.51	354.00	3.24	-50.27
CCC1=NC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)C(=O)[N-]1	REAL300033789387	1	44	-1.0	-69.82	372.49	1.88	-67.94
O=C(C1=COC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300033789403	1	36	-1.0	-57.27	313.96	-0.82	-58.09
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300033789472	0	39	-1.0	-54.89	350.82	-0.33	-55.22
NC1=NC([O-])=C(CC(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)S1	REAL300033789473	0	41	-1.0	-68.63	362.48	-1.14	-69.77
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C=C3F)[C@H]2C1	REAL300033789493	1	40	-1.0	-61.90	341.62	2.99	-58.91
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC([O-])=CC(=O)O3)[C@H]2C1	REAL300033789499	0	39	-1.0	-59.08	338.78	2.34	-56.74
N#CC1=CC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)C=C1[O-]	REAL300033789505	1	41	-1.0	-66.13	353.28	3.29	-62.84
O=C(C1=CC(Cl)=NC=C1[O-])N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300033789508	0	39	-1.0	-61.90	343.64	2.99	-58.91
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300033789522	0	41	-1.0	-61.80	357.16	-1.70	-63.50
CC1=CC=C([O-])C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)=N1	REAL300033789579	1	42	-1.0	-69.56	352.11	3.87	-65.69
O=C(CCC1=NC(=O)[N-]N1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300033789580	1	42	-1.0	-66.66	356.83	-0.49	-67.15
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=C[N-]N=CC3=O)[C@H]2C1	REAL300033789596	0	38	-1.0	-58.44	321.72	2.46	-55.98
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=CC(F)=C3[O-])[C@H]2C1	REAL300033789603	0	40	-1.0	-76.19	340.38	4.42	-71.77
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=CC([O-])=C3F)[C@H]2C1	REAL300033789688	1	40	-1.0	-76.00	340.39	2.95	-73.05
O=C(C1=CC(=O)N[N-]1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300033789777	0	37	-1.0	-59.51	319.15	-0.23	-59.74
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300033789782	0	42	-1.0	-59.32	357.73	1.00	-58.32
O=C(C1=CC(=O)N([O-])C=C1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300033789864	0	40	-1.0	-76.24	339.27	3.34	-72.90
O=C(C1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300033789889	0	36	-1.0	-61.76	313.41	-1.70	-63.46
O=C(C1=CC=CN([O-])C1=O)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300033789894	0	40	-1.0	-72.73	347.53	3.65	-69.08
NC1=CC(=O)[N-]C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)=N1	REAL300033789988	0	40	-1.0	-67.14	342.57	-0.68	-67.82
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C(Cl)=C3)[C@H]2C1	REAL300033790031	0	40	-1.0	-59.23	349.11	3.43	-55.80
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC(F)=CC=C3[O-])[C@H]2C1	REAL300033790036	1	40	-1.0	-66.32	340.13	4.44	-61.88
CC1=CC=NC(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)=C1[O-]	REAL300033790096	1	42	-1.0	-63.81	350.55	4.04	-59.77
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CN=CC([O-])=C3)[C@H]2C1	REAL300033790198	1	39	-1.0	-65.24	328.72	0.96	-64.28
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=CC(=S)N3[O-])[C@H]2C1	REAL300033790208	0	40	-1.0	-90.74	347.56	5.40	-85.34
O=C(C1=CC=C([O-])C(Cl)=N1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300033790310	0	39	-1.0	-55.13	349.09	2.15	-52.98
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C=C3Cl)[C@H]2C1	REAL300033790351	1	40	-1.0	-59.78	350.05	3.43	-56.35
O=C(CC1=NC([O-])=CS1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300033790358	0	39	-1.0	-68.57	346.71	-0.28	-68.85
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300033790372	0	42	-1.0	-65.95	362.96	0.33	-65.62
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C(F)C=C3[O-])[C@H]2C1	REAL300033790373	0	40	-1.0	-68.64	341.39	4.32	-64.32
O=C(CC1SC(=O)[N-]C1=O)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300033790459	0	40	-1.0	-56.50	354.93	-1.05	-57.55
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C(F)=C3F)[C@H]2C1	REAL300033790479	0	40	-1.0	-63.67	343.77	3.04	-60.63
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=CC(Cl)=C3[O-])[C@H]2C1	REAL300033790486	0	40	-1.0	-70.12	350.19	4.89	-65.23
CC1=CC(=O)C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)=N[N-]1	REAL300033790510	0	41	-1.0	-61.17	347.75	3.50	-57.67
O=C(C1=CC=CC(=O)N1[O-])N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300033790529	0	40	-1.0	-87.04	336.45	4.36	-82.68
N#CC1=CC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)C(=O)[N-]1	REAL300033790551	0	40	-1.0	-53.76	357.33	1.34	-52.42
CN1N=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)[N-]C1=O	REAL300033790595	0	39	-1.0	-66.95	336.78	-0.05	-67.00
N#CC1=CC=C([O-])C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)=C1	REAL300033790645	0	41	-1.0	-62.75	354.55	4.77	-57.98
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CN([O-])C(=O)NC3=O)[C@H]2C1	REAL300033790729	0	40	-1.0	-62.03	352.70	1.11	-60.92
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C(F)C(O)=C3)[C@H]2C1	REAL300033790774	0	40	-1.0	-59.84	339.34	2.90	-56.94
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C(F)C([O-])=C3)[C@H]2C1	REAL300033790774	1	40	-1.0	-59.84	339.34	2.90	-56.94
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C(Cl)C=C3O)[C@H]2C1	REAL300033790790	0	40	-1.0	-68.00	351.71	4.77	-63.23
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C(Cl)C=C3[O-])[C@H]2C1	REAL300033790790	1	40	-1.0	-68.00	351.71	4.77	-63.23
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)[C@H]2C1	REAL300033790848	0	38	-1.0	-62.09	332.11	-3.00	-65.09
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)[C@H]2C1	REAL300033790848	1	38	-1.0	-53.49	331.81	-2.14	-55.63
NC1=NC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)C(=O)[N-]1	REAL300033790897	1	40	-1.0	-59.00	345.86	0.23	-58.77
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C(F)C([O-])=C3F)[C@H]2C1	REAL300033790929	0	40	-1.0	-72.99	343.74	3.01	-69.98
COC1=NC(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]32)=CC(=O)[N-]1	REAL300033790972	0	42	-1.0	-65.30	358.21	-1.95	-67.25
O=C(C1=NC=CC(Cl)=C1[O-])N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300033790978	0	39	-1.0	-60.73	346.42	3.87	-56.86
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C(Cl)C([O-])=C3)[C@H]2C1	REAL300033791009	0	40	-1.0	-55.98	349.14	3.40	-52.58
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=NC=C3[O-])[C@H]2C1	REAL300033791017	0	39	-1.0	-67.66	326.53	2.60	-65.06
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]21	REAL300033791022	0	36	-1.0	-62.11	313.30	0.22	-61.89
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CN1[N-]C(C(=O)N2CCC3(CCC3)C(NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033794319	0	46	-1.0	-55.34	381.13	1.82	-53.52
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CN1[N-]C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CCC23CCC3)=CC1=O	REAL300033794462	0	46	-1.0	-68.03	381.40	1.78	-66.25
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CN1N=C(C(=O)NCC2(C3CC3)CCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033795357	0	45	-1.0	-58.31	380.01	0.57	-57.74
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CN1[N-]C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)(C3CC3)C2)=CC1=O	REAL300033796963	0	46	-1.0	-53.07	385.38	2.04	-51.03
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CN1[N-]C(C(=O)NCC2(C3CC3)CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033797112	0	46	-1.0	-54.67	385.51	2.07	-52.60
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CN(CC1=CC=CC(CNC(=O)C2=COC(=O)[N-]2)=C1)C(=O)C1=NSNC1=O	REAL300033798019	1	41	-1.0	-52.32	373.44	0.06	-52.26
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)N[N-]2)=C1)C(=O)C1=NSNC1=O	REAL300033798113	0	42	-1.0	-51.80	378.77	1.04	-50.76
CN(CC1=CC=CC(CNC(=O)C2=NC(=O)N[N-]2)=C1)C(=O)C1=NSNC1=O	REAL300033798200	0	41	-1.0	-51.88	372.86	-0.24	-52.12
CN(CC1=CC=CC(CNC(=O)C2=NSNC2=O)=C1)C(=O)C1=NC=CC=C1[O-]	REAL300033798386	1	44	-1.0	-65.54	390.28	4.78	-60.76
CN(CC1=CC=CC(CNC(=O)C2=NSNC2=O)=C1)C(=O)C1=COC(=O)[N-]1	REAL300033798621	1	41	-1.0	-55.16	373.82	1.02	-54.14
CN(CC1=CC=CC(CNC(=O)C2=NSNC2=O)=C1)C(=O)C1=CC(=O)N[N-]1	REAL300033798691	0	42	-1.0	-53.87	378.04	1.04	-52.83
CN(CC1=CC=CC(CNC(=O)C2=NSNC2=O)=C1)C(=O)C1=NC(=O)N[N-]1	REAL300033798706	0	41	-1.0	-52.94	372.82	0.41	-52.53
CN(CC1=CC=CC(CNC(=O)C2=NSNC2=O)=C1)C(=O)C1=CN=CC([O-])=C1	REAL300033798767	1	44	-1.0	-67.36	388.99	2.01	-65.35
CN(CC1=CC=CC(CNC(=O)C2=NSNC2=O)=C1)C(=O)C1=CC=NC=C1[O-]	REAL300033798890	0	44	-1.0	-65.68	392.81	2.72	-62.96
CN(CC1=CC=CC(CNC(=O)C2=NSNC2=O)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300033798892	0	41	-1.0	-58.75	373.01	1.12	-57.63
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C1=NSNC1=O	REAL300033799086	0	41	-1.0	-56.48	373.51	1.53	-54.95
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CN1[N-]C(C(=O)N2CCC(CO)C(NC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300033801278	0	46	-1.0	-49.21	369.87	-0.42	-49.63
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CN1[N-]C(C(=O)NC2CCN(C(=O)C3=NSNC3=O)CCC2CO)=CC1=O	REAL300033801407	0	46	-1.0	-65.98	374.37	-0.19	-66.17
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CCN1[N-]C(C(=O)NC2(CO)CN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033805155	0	40	-1.0	-65.49	361.54	-3.50	-68.99
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CN1[N-]C(C(=O)N2CCC3(NC(=O)C4=NSNC4=O)CCCCC23)=CC1=O	REAL300033814953	0	46	-1.0	-50.40	373.59	1.77	-48.63
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CC(NC(=O)C1=NC(=O)C(C)S1)C1(O)CN(C(=O)C2=NSNC2=O)C1	REAL300033823649	0	39	-1.0	-62.83	366.31	-4.93	-67.76
CC1=C([O-])N=C(C(=O)NC(C)C2(O)CN(C(=O)C3=NSNC3=O)C2)S1	REAL300033823649	1	39	-1.0	-62.83	366.31	-4.93	-67.76
CC(NC(=O)C1=CC(=O)C=C(Cl)N1)C1(O)CN(C(=O)C2=NSNC2=O)C1	REAL300033823660	0	39	-1.0	-47.08	369.32	-1.86	-48.94
CC(NC(=O)C1=CC(=O)C=C(Cl)[N-]1)C1(O)CN(C(=O)C2=NSNC2=O)C1	REAL300033823660	1	39	-1.0	-47.08	369.32	-1.86	-48.94
CC(NC(=O)C1=CC(=O)N([O-])C=C1)C1(O)CN(C(=O)C2=NSNC2=O)C1	REAL300033823672	0	40	-1.0	-72.42	362.78	-0.98	-73.40
CC(NC(=O)C1=CC=CC(=O)N1[O-])C1(O)CN(C(=O)C2=NSNC2=O)C1	REAL300033823699	0	40	-1.0	-81.16	359.24	-0.07	-81.23
CC(NC(=O)CC1=NC([O-])=CS1)C1(O)CN(C(=O)C2=NSNC2=O)C1	REAL300033823835	0	39	-1.0	-73.26	366.28	-5.15	-78.41
CCC1=NC=C(C(=O)NC(C)C2(O)CN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300033823849	0	44	-1.0	-54.40	384.89	-2.53	-56.93
CCC1=NC=C(C(=O)NC(C)C2(O)CN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033823849	1	44	-1.0	-54.40	384.89	-2.53	-56.93
CC1=CC(=O)C(C(=O)NC(C)C2(O)CN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033824028	0	41	-1.0	-52.44	367.89	-1.37	-53.81
CC(NC(=O)C1=NC(=O)N[N-]1)C1(O)CN(C(=O)C2=NSNC2=O)C1	REAL300033824039	0	36	-1.0	-55.54	334.36	-6.36	-61.90
CC(NC(=O)C1=CN=C(C=N[O-])S1)C1(O)CN(C(=O)C2=NSNC2=O)C1	REAL300033824125	0	39	-1.0	-64.95	374.55	-3.56	-68.51
COC1=NC(C(=O)NC(C)C2(O)CN(C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300033824136	0	42	-1.0	-55.28	379.89	-7.14	-62.42
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300033824388	1	39	-1.0	-63.40	351.58	-1.49	-64.89
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300033824509	0	38	-1.0	-56.86	351.18	-7.15	-64.01
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300033824664	0	40	-1.0	-58.00	367.88	-5.55	-63.55
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300033825928	1	40	-1.0	-59.77	371.80	0.06	-59.71
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300033825952	1	41	-1.0	-48.88	375.21	-1.80	-50.68
CCC1=NC=C(C(=O)N2CC(O)(C(C)NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033826032	1	44	-1.0	-62.30	383.95	-1.92	-64.22
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300033826050	1	36	-1.0	-51.23	335.08	-5.65	-56.88
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300033826114	0	39	-1.0	-50.83	372.33	-5.25	-56.08
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300033826135	1	40	-1.0	-54.48	361.18	-2.02	-56.50
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300033826141	0	39	-1.0	-52.35	359.32	-2.62	-54.97
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300033826147	1	41	-1.0	-59.87	374.50	-1.73	-61.60
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300033826150	0	39	-1.0	-57.26	364.96	-1.80	-59.06
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300033826165	0	41	-1.0	-62.96	378.02	-6.64	-69.60
CC1=CC=C([O-])C(C(=O)N2CC(O)(C(C)NC(=O)C3=NSNC3=O)C2)=N1	REAL300033826225	1	42	-1.0	-64.17	373.19	-0.90	-65.07
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300033826226	1	42	-1.0	-62.39	378.13	-5.45	-67.84
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300033826242	0	38	-1.0	-52.88	342.60	-2.45	-55.33
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300033826251	0	40	-1.0	-68.03	361.30	-0.40	-68.43
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300033826336	1	40	-1.0	-66.58	361.60	-1.92	-68.50
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300033826432	0	37	-1.0	-51.58	339.92	-5.10	-56.68
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300033826438	0	42	-1.0	-50.35	373.44	-3.63	-53.98
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300033826521	0	40	-1.0	-68.60	360.33	-1.61	-70.21
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=NNC(=O)[N-]2)C1	REAL300033826544	0	36	-1.0	-55.28	334.54	-6.55	-61.83
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=C(O)C=CC=C2Cl)C1	REAL300033826546	0	40	-1.0	-59.26	378.41	-1.27	-60.53
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300033826546	1	40	-1.0	-59.26	378.41	-1.27	-60.53
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300033826550	0	40	-1.0	-77.45	368.83	-1.20	-78.65
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300033826706	0	40	-1.0	-59.18	361.48	-0.40	-59.58
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300033826706	1	40	-1.0	-59.18	361.48	-0.40	-59.58
CC1=CC=NC(C(=O)N2CC(O)(C(C)NC(=O)C3=NSNC3=O)C2)=C1O	REAL300033826768	0	42	-1.0	-62.99	371.91	-0.80	-63.79
CC1=CC=NC(C(=O)N2CC(O)(C(C)NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300033826768	1	42	-1.0	-62.99	371.91	-0.80	-63.79
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CN=CC(O)=C2)C1	REAL300033826868	0	39	-1.0	-52.23	349.96	-3.86	-56.09
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300033826868	1	39	-1.0	-52.23	349.96	-3.86	-56.09
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300033826877	0	40	-1.0	-87.04	369.24	0.55	-86.49
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300033826978	0	39	-1.0	-48.60	369.89	-2.70	-51.30
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300033827013	1	40	-1.0	-53.16	369.39	-1.55	-54.71
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300033827024	0	39	-1.0	-72.59	368.51	-5.18	-77.77
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300033827039	0	40	-1.0	-56.13	368.92	-1.65	-57.78
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300033827040	0	42	-1.0	-57.93	383.22	-4.50	-62.43
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300033827041	0	40	-1.0	-61.43	360.93	-0.49	-61.92
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(O)(C(C)NC(=O)C2=NSNC2=O)C1	REAL300033827071	0	43	-1.0	-59.87	387.76	-1.19	-61.06
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300033827159	0	40	-1.0	-62.64	371.11	0.09	-62.55
CC1=CC(=O)C(C(=O)N2CC(O)(C(C)NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033827187	0	41	-1.0	-54.42	368.34	-1.30	-55.72
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300033827211	0	40	-1.0	-83.61	358.13	-0.49	-84.10
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300033827235	0	40	-1.0	-56.83	378.54	-3.49	-60.32
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300033827277	0	39	-1.0	-58.16	357.37	-4.89	-63.05
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300033827323	0	41	-1.0	-61.24	379.66	-3.58	-64.82
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300033827323	1	41	-1.0	-61.24	379.66	-3.58	-64.82
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300033827332	0	41	-1.0	-56.56	375.91	-0.05	-56.61
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300033827412	0	40	-1.0	-56.04	364.38	-2.78	-58.82
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300033827463	0	40	-1.0	-64.06	360.58	-2.10	-66.16
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300033827463	1	40	-1.0	-64.06	360.58	-2.10	-66.16
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC=C(Cl)C=C2O)C1	REAL300033827481	0	40	-1.0	-61.20	371.25	-0.03	-61.23
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300033827481	1	40	-1.0	-61.20	371.25	-0.03	-61.23
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300033827544	0	38	-1.0	-54.29	352.72	-7.83	-62.12
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300033827544	1	38	-1.0	-48.15	353.32	-7.05	-55.20
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300033827598	1	40	-1.0	-60.48	366.98	-4.66	-65.14
COC1=NC(C(=O)N2CC(O)(C(C)NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300033827670	0	42	-1.0	-55.97	378.38	-6.94	-62.91
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300033827679	0	39	-1.0	-59.67	367.79	-0.98	-60.65
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300033827717	0	40	-1.0	-59.88	370.38	-1.61	-61.49
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300033827725	0	39	-1.0	-63.70	346.92	-2.33	-66.03
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300033827731	0	36	-1.0	-55.90	334.93	-4.77	-60.67
CC1=C([O-])N=C(C(=O)N2CC(O)(C(C)NC(=O)C3=NSNC3=O)C2)S1	REAL300033827753	1	39	-1.0	-57.23	366.55	-4.68	-61.91
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300033827841	1	42	-1.0	-54.74	376.83	-1.91	-56.65
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300033827858	0	39	-1.0	-66.14	373.37	-3.84	-69.98
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300033827877	1	39	-1.0	-48.48	369.59	-1.67	-50.15
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300033827897	0	40	-1.0	-50.47	360.46	-6.51	-56.98
CCN1[N-]C(C(=O)N2CC(O)(C(C)NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033827953	0	43	-1.0	-54.93	384.45	-2.46	-57.39
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300033827970	0	40	-1.0	-54.23	362.73	-3.40	-57.63
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300033828100	1	40	-1.0	-60.50	362.06	-4.58	-65.08
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300033828105	1	40	-1.0	-57.29	360.54	-2.06	-59.35
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300033828152	0	39	-1.0	-61.64	364.27	-1.79	-63.43
CC1=C(CC(=O)N2CC(O)(C(C)NC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300033828167	0	46	-1.0	-60.03	405.15	-2.19	-62.22
CC1=CN=C(C(=O)N2CC(O)(C(C)NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300033828202	1	42	-1.0	-64.81	373.04	-0.86	-65.67
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300033828221	0	37	-1.0	-62.66	347.15	-3.00	-65.66
CC(NC(=O)C1=NSNC1=O)C1(O)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300033828237	0	40	-1.0	-69.00	360.51	-1.52	-70.52
CC(NC(=O)C1=CC(=O)N(C)[N-]1)C1(O)CN(C(=O)C2=NSNC2=O)C1	REAL300033828366	0	40	-1.0	-57.57	362.58	-3.35	-60.92
CC(NC(=O)C1=NC(=O)[N-]C(=O)N1)C1(O)CN(C(=O)C2=NSNC2=O)C1	REAL300033828492	0	38	-1.0	-59.45	352.89	-8.12	-67.57
CC(NC(=O)C1=NC(=O)NC(=O)[N-]1)C1(O)CN(C(=O)C2=NSNC2=O)C1	REAL300033828492	1	38	-1.0	-52.20	353.54	-7.35	-59.55
CC(NC(=O)CN1[N-]C(=O)C=CC1=O)C1(O)CN(C(=O)C2=NSNC2=O)C1	REAL300033828609	0	42	-1.0	-59.70	381.55	-4.48	-64.18
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=NSNC2=O)C1	REAL300033828615	0	36	-1.0	-59.73	334.51	-4.57	-64.30
CC(NC(=O)C1=CN([O-])C(=O)NC1=O)C1(O)CN(C(=O)C2=NSNC2=O)C1	REAL300033828624	0	40	-1.0	-56.26	365.18	-3.34	-59.60
CN(CCCCN(C)C(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300033829774	0	42	-1.0	-69.02	368.49	-0.69	-69.71
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)CN1C(=O)[N-]NC1=O	REAL300033829857	0	44	-1.0	-71.34	385.60	0.61	-70.73
CN(CCCCN(C)C(=O)C1=CN([O-])C(=O)C=C1)C(=O)C1=NSNC1=O	REAL300033830427	0	44	-1.0	-73.21	387.59	4.98	-68.23
CN(CCCCN(C)C(=O)C1=CC(=O)NC([O-])=C1)C(=O)C1=NSNC1=O	REAL300033830541	0	44	-1.0	-52.98	379.21	-0.11	-53.09
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=COC(=O)[N-]1	REAL300033830552	1	40	-1.0	-58.33	352.03	1.46	-56.87
CCN1[N-]C(C(=O)N(C)CCCCN(C)C(=O)C2=NSNC2=O)=CC1=O	REAL300033830718	0	47	-1.0	-57.23	402.38	3.96	-53.27
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300033830725	1	44	-1.0	-61.72	380.87	1.71	-60.01
CN(CCCCN(C)C(=O)C1=CC=CC(=S)N1[O-])C(=O)C1=NSNC1=O	REAL300033830740	0	44	-1.0	-88.12	398.30	5.36	-82.76
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=NN(C)C(=O)[N-]1	REAL300033830763	0	43	-1.0	-60.27	375.30	1.46	-58.81
CN(CCCCN(C)C(=O)C1=C[N-]N=CC1=O)C(=O)C1=NSNC1=O	REAL300033830850	0	42	-1.0	-61.45	370.85	2.84	-58.61
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N[N-]1	REAL300033830942	0	41	-1.0	-53.88	357.82	1.34	-52.54
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C(=O)[PH](C)(C)[O-]	REAL300033830947	0	46	-1.0	-61.08	391.99	2.90	-58.18
CN(CCCCN(C)C(=O)C1=CC=CN([O-])C1=O)C(=O)C1=NSNC1=O	REAL300033830976	0	44	-1.0	-69.76	383.21	4.86	-64.90
CC1=C([O-])N=C(C(=O)N(C)CCCCN(C)C(=O)C2=NSNC2=O)S1	REAL300033831004	1	43	-1.0	-63.82	384.56	2.08	-61.74
CN(CCCCN(C)C(=O)C1=CC(=O)C=C(Cl)[N-]1)C(=O)C1=NSNC1=O	REAL300033831017	1	43	-1.0	-50.47	387.64	4.94	-45.53
CN(CCCCN(C)C(=O)C1=CC(=O)N([O-])C=C1)C(=O)C1=NSNC1=O	REAL300033831034	0	44	-1.0	-71.46	379.05	4.79	-66.67
CN(CCCCN(C)C(=O)C1=CC=CC(=O)N1[O-])C(=O)C1=NSNC1=O	REAL300033831065	0	44	-1.0	-85.17	387.19	4.73	-80.44
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C[N-]C(=O)C(F)(F)F	REAL300033831181	0	43	-1.0	-52.95	390.32	0.91	-52.04
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)CC1=NC([O-])=CS1	REAL300033831225	0	43	-1.0	-83.61	386.44	0.97	-82.64
CCC1=NC=C(C(=O)N(C)CCCCN(C)C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033831243	1	48	-1.0	-55.91	408.05	3.14	-52.77
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300033831251	0	45	-1.0	-63.15	396.22	-0.49	-63.64
CC1=CC(=O)C(C(=O)N(C)CCCCN(C)C(=O)C2=NSNC2=O)=N[N-]1	REAL300033831447	0	45	-1.0	-66.76	385.66	5.16	-61.60
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)N[N-]1	REAL300033831460	0	40	-1.0	-59.80	352.59	0.62	-59.18
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CN=C(C=N[O-])S1	REAL300033831567	0	43	-1.0	-68.87	390.73	2.23	-66.64
COC1=NC(C(=O)N(C)CCCCN(C)C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300033831579	0	46	-1.0	-67.14	395.41	0.06	-67.08
CN(CCCCN(C)C(=O)C1=NC=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300033831835	1	43	-1.0	-65.65	369.39	5.12	-60.53
CN(CCCCN(C)C(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300033831956	0	42	-1.0	-69.02	368.49	-0.69	-69.71
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)CN1C(=O)[N-]NC1=O	REAL300033832111	0	44	-1.0	-71.34	385.60	0.61	-70.73
CN(CCCCN(C)C(=O)C1=CC(Cl)=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300033833375	1	44	-1.0	-73.23	391.78	5.56	-67.67
CN(CCCCN(C)C(=O)C1=CC([O-])=CC(C#N)=C1)C(=O)C1=NSNC1=O	REAL300033833399	1	45	-1.0	-51.48	394.03	4.62	-46.86
CCC1=NC=C(C(=O)N(C)CCCCN(C)C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033833479	1	48	-1.0	-55.91	408.05	3.14	-52.77
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=COC(=O)[N-]1	REAL300033833497	1	40	-1.0	-58.33	352.03	1.46	-56.87
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C[N-]C(=O)C(F)(F)F	REAL300033833561	0	43	-1.0	-52.95	390.32	0.91	-52.04
CN(CCCCN(C)C(=O)C1=CC=C([O-])C=C1F)C(=O)C1=NSNC1=O	REAL300033833582	1	44	-1.0	-58.56	378.00	4.33	-54.23
CN(CCCCN(C)C(=O)C1=CC([O-])=CC(=O)O1)C(=O)C1=NSNC1=O	REAL300033833588	0	43	-1.0	-54.82	377.95	3.75	-51.07
CN(CCCCN(C)C(=O)C1=CC=C(C#N)C([O-])=C1)C(=O)C1=NSNC1=O	REAL300033833594	1	45	-1.0	-54.10	393.35	4.66	-49.44
CN(CCCCN(C)C(=O)C1=CC(Cl)=NC=C1[O-])C(=O)C1=NSNC1=O	REAL300033833597	0	43	-1.0	-69.34	387.01	3.53	-65.81
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300033833612	0	45	-1.0	-63.15	396.22	-0.49	-63.64
CC1=CC=C([O-])C(C(=O)N(C)CCCCN(C)C(=O)C2=NSNC2=O)=N1	REAL300033833672	1	46	-1.0	-78.38	390.48	5.72	-72.66
CN(CCCCN(C)C(=O)C1=C[N-]N=CC1=O)C(=O)C1=NSNC1=O	REAL300033833689	0	42	-1.0	-61.45	370.85	2.84	-58.61
CN(CCCCN(C)C(=O)C1=CC=CC(F)=C1[O-])C(=O)C1=NSNC1=O	REAL300033833698	0	44	-1.0	-82.32	381.27	5.13	-77.19
CN(CCCCN(C)C(=O)C1=CC=CC([O-])=C1F)C(=O)C1=NSNC1=O	REAL300033833783	1	44	-1.0	-78.28	381.53	4.29	-73.99
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N[N-]1	REAL300033833879	0	41	-1.0	-53.88	357.82	1.34	-52.54
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C(=O)[PH](C)(C)[O-]	REAL300033833885	0	46	-1.0	-61.08	391.99	2.90	-58.18
CN(CCCCN(C)C(=O)C1=CC(=O)N([O-])C=C1)C(=O)C1=NSNC1=O	REAL300033833968	0	44	-1.0	-71.46	379.05	4.79	-66.67
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)N[N-]1	REAL300033833991	0	40	-1.0	-59.80	352.59	0.62	-59.18
CN(CCCCN(C)C(=O)C1=C([O-])C=CC=C1Cl)C(=O)C1=NSNC1=O	REAL300033833993	1	44	-1.0	-60.92	396.64	4.89	-56.03
CN(CCCCN(C)C(=O)C1=CC=CN([O-])C1=O)C(=O)C1=NSNC1=O	REAL300033833997	0	44	-1.0	-69.76	383.21	4.86	-64.90
CN(CCCCN(C)C(=O)C1=NC(N)=CC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300033834105	0	44	-1.0	-62.49	381.21	1.08	-61.41
CN(CCCCN(C)C(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)C1=NSNC1=O	REAL300033834148	0	44	-1.0	-55.17	389.15	4.81	-50.36
CN(CCCCN(C)C(=O)C1=CC(F)=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300033834153	1	44	-1.0	-72.60	381.46	5.12	-67.48
CC1=CC=NC(C(=O)N(C)CCCCN(C)C(=O)C2=NSNC2=O)=C1[O-]	REAL300033834215	1	46	-1.0	-77.06	389.20	5.83	-71.23
CN(CCCCN(C)C(=O)C1=CN=CC([O-])=C1)C(=O)C1=NSNC1=O	REAL300033834315	1	43	-1.0	-60.51	368.16	2.35	-58.16
CN(CCCCN(C)C(=O)C1=CC=CC(=S)N1[O-])C(=O)C1=NSNC1=O	REAL300033834324	0	44	-1.0	-88.12	398.30	5.36	-82.76
CN(CCCCN(C)C(=O)C1=CC=C([O-])C(Cl)=N1)C(=O)C1=NSNC1=O	REAL300033834425	0	43	-1.0	-51.02	387.98	3.92	-47.10
CN(CCCCN(C)C(=O)C1=CC=C([O-])C=C1Cl)C(=O)C1=NSNC1=O	REAL300033834460	1	44	-1.0	-57.09	386.15	4.77	-52.32
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)CC1=NC([O-])=CS1	REAL300033834471	0	43	-1.0	-83.61	386.44	0.97	-82.64
CN(CCCCN(C)C(=O)C1=C([O-])C=CC=C1F)C(=O)C1=NSNC1=O	REAL300033834486	1	44	-1.0	-61.53	387.15	4.51	-57.02
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300033834487	0	46	-1.0	-59.87	401.99	1.60	-58.27
CN(CCCCN(C)C(=O)C1=CC=C(F)C=C1[O-])C(=O)C1=NSNC1=O	REAL300033834488	0	44	-1.0	-66.05	377.73	5.79	-60.26
CC1=CC=C(F)C([O-])=C1C(=O)N(C)CCCCN(C)C(=O)C1=NSNC1=O	REAL300033834518	0	47	-1.0	-75.19	406.61	5.05	-70.14
CN(CCCCN(C)C(=O)C1=CC=CC(Cl)=C1[O-])C(=O)C1=NSNC1=O	REAL300033834606	0	44	-1.0	-76.56	391.08	5.59	-70.97
CC1=CC(=O)C(C(=O)N(C)CCCCN(C)C(=O)C2=NSNC2=O)=N[N-]1	REAL300033834634	0	45	-1.0	-66.76	385.66	5.16	-61.60
CN(CCCCN(C)C(=O)C1=CC=CC(=O)N1[O-])C(=O)C1=NSNC1=O	REAL300033834658	0	44	-1.0	-85.17	387.19	4.73	-80.44
CN(CCCCN(C)C(=O)C1=CC=C(C#N)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300033834682	0	44	-1.0	-65.55	396.85	2.67	-62.88
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=NN(C)C(=O)[N-]1	REAL300033834724	0	43	-1.0	-60.27	375.30	1.46	-58.81
CN(CCCCN(C)C(=O)C1=C(F)C=CC(O)=C1O)C(=O)C1=NSNC1=O	REAL300033834770	0	45	-1.0	-62.58	397.89	2.58	-60.00
CN(CCCCN(C)C(=O)C1=C(F)C=CC(O)=C1[O-])C(=O)C1=NSNC1=O	REAL300033834770	1	45	-1.0	-62.58	397.89	2.58	-60.00
CN(CCCCN(C)C(=O)C1=CC(C#N)=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300033834779	0	45	-1.0	-69.27	395.86	5.48	-63.79
CN(CCCCN(C)C(=O)C1=CN([O-])C(=O)NC1=O)C(=O)C1=NSNC1=O	REAL300033834859	0	44	-1.0	-56.28	388.53	2.31	-53.97
CN(CCCCN(C)C(=O)C1=CC=C(F)C(O)=C1)C(=O)C1=NSNC1=O	REAL300033834910	0	44	-1.0	-57.90	379.40	4.31	-53.59
CN(CCCCN(C)C(=O)C1=CC=C(F)C([O-])=C1)C(=O)C1=NSNC1=O	REAL300033834910	1	44	-1.0	-57.90	379.40	4.31	-53.59
CN(CCCCN(C)C(=O)C1=CC=C(Cl)C=C1O)C(=O)C1=NSNC1=O	REAL300033834928	0	44	-1.0	-65.59	388.04	6.23	-59.36
CN(CCCCN(C)C(=O)C1=CC=C(Cl)C=C1[O-])C(=O)C1=NSNC1=O	REAL300033834928	1	44	-1.0	-65.59	388.04	6.23	-59.36
CN(CCCCN(C)C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)C1=NSNC1=O	REAL300033834991	0	42	-1.0	-64.30	367.53	0.21	-64.09
CN(CCCCN(C)C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300033834991	1	42	-1.0	-64.30	367.53	0.21	-64.09
CN(CCCCN(C)C(=O)C1=CN=C(N)NC1=O)C(=O)C1=NSNC1=O	REAL300033835045	0	44	-1.0	-56.58	381.40	1.49	-55.09
CN(CCCCN(C)C(=O)C1=CN=C(N)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300033835045	1	44	-1.0	-56.58	381.40	1.49	-55.09
CN(CCCCN(C)C(=O)C1=NC=CC(Cl)=C1[O-])C(=O)C1=NSNC1=O	REAL300033835126	0	43	-1.0	-73.41	385.08	5.66	-67.75
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300033835178	0	40	-1.0	-65.58	351.98	1.43	-64.15
CC1SC(C(=O)N(C)CCCCN(C)C(=O)C2=NSNC2=O)=NC1=O	REAL300033835200	0	43	-1.0	-63.82	384.56	2.08	-61.74
CC1=C([O-])N=C(C(=O)N(C)CCCCN(C)C(=O)C2=NSNC2=O)S1	REAL300033835200	1	43	-1.0	-63.82	384.56	2.08	-61.74
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C(=O)C1=CC=C(O)C=C1	REAL300033835288	0	46	-1.0	-62.97	403.59	4.28	-58.69
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300033835288	1	46	-1.0	-62.97	403.59	4.28	-58.69
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CN=C(C=N[O-])S1	REAL300033835305	0	43	-1.0	-68.87	390.73	2.23	-66.64
CN(CCCCN(C)C(=O)C1=CC(=O)C=C(Cl)N1)C(=O)C1=NSNC1=O	REAL300033835324	0	43	-1.0	-50.47	387.64	4.94	-45.53
CN(CCCCN(C)C(=O)C1=CC(=O)C=C(Cl)[N-]1)C(=O)C1=NSNC1=O	REAL300033835324	1	43	-1.0	-50.47	387.64	4.94	-45.53
CCN1[N-]C(C(=O)N(C)CCCCN(C)C(=O)C2=NSNC2=O)=CC1=O	REAL300033835400	0	47	-1.0	-57.23	402.38	3.96	-53.27
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(C)[N-]1	REAL300033835417	0	44	-1.0	-56.53	380.66	3.03	-53.50
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)NN1	REAL300033835547	0	44	-1.0	-61.72	380.87	1.71	-60.01
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300033835547	1	44	-1.0	-61.72	380.87	1.71	-60.01
CN(CCCCN(C)C(=O)C1=CC=C(O)C(F)=C1)C(=O)C1=NSNC1=O	REAL300033835552	0	44	-1.0	-58.66	379.36	4.35	-54.31
CN(CCCCN(C)C(=O)C1=CC=C([O-])C(F)=C1)C(=O)C1=NSNC1=O	REAL300033835552	1	44	-1.0	-58.66	379.36	4.35	-54.31
CN(CCCCN(C)C(=O)C1=CC=NC(Cl)=C1[O-])C(=O)C1=NSNC1=O	REAL300033835599	0	43	-1.0	-74.09	386.32	3.58	-70.51
CC1=CN=C(C(=O)N(C)CCCCN(C)C(=O)C2=NSNC2=O)C(O)=C1	REAL300033835649	0	46	-1.0	-67.01	391.05	5.75	-61.26
CC1=CN=C(C(=O)N(C)CCCCN(C)C(=O)C2=NSNC2=O)C([O-])=C1	REAL300033835649	1	46	-1.0	-67.01	391.05	5.75	-61.26
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC([O-])=CS1	REAL300033835668	0	41	-1.0	-65.99	364.53	3.08	-62.91
CN(CCCCN(C)C(=O)C1=CN([O-])C(=O)C=C1)C(=O)C1=NSNC1=O	REAL300033835684	0	44	-1.0	-73.21	387.59	4.98	-68.23
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(C)[N-]1	REAL300033835827	0	44	-1.0	-56.53	380.66	3.03	-53.50
CN(CCCCN(C)C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)C1=NSNC1=O	REAL300033835978	0	42	-1.0	-60.62	370.04	-0.92	-61.54
CN(CCCCN(C)C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300033835978	1	42	-1.0	-64.30	367.53	0.21	-64.09
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300033836114	0	46	-1.0	-59.87	401.99	1.60	-58.27
CN(CCCCN(C)C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300033836121	0	40	-1.0	-65.58	351.98	1.43	-64.15
CN(CCCCN(C)C(=O)C1=CN([O-])C(=O)NC1=O)C(=O)C1=NSNC1=O	REAL300033836132	0	44	-1.0	-56.28	388.53	2.31	-53.97
O=C(NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300033837289	0	35	-1.0	-55.65	340.94	-4.06	-59.71
O=C(CN1C(=O)[N-]NC1=O)NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1	REAL300033837372	0	37	-1.0	-56.49	355.06	-2.41	-58.90
O=C(NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)C=C1	REAL300033837942	0	37	-1.0	-69.79	352.02	2.06	-67.73
O=C(NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)NC([O-])=C1	REAL300033838056	0	37	-1.0	-51.48	352.49	-2.84	-54.32
O=C(NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1)C1=COC(=O)[N-]1	REAL300033838067	1	33	-1.0	-51.94	324.56	-3.00	-54.94
O=C([N-]CC(F)=C1CN(C(=O)C2=NSNC2=O)C1)C(F)(F)C(F)(F)F	REAL300033838154	0	32	-1.0	-42.66	330.67	0.34	-42.32
CCN1[N-]C(C(=O)NCC(F)=C2CN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033838233	0	40	-1.0	-54.16	373.93	0.64	-53.52
O=C(CC1=CC(=O)N[N-]1)NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1	REAL300033838240	1	37	-1.0	-59.69	350.05	-1.37	-61.06
O=C(NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=S)N1[O-]	REAL300033838255	0	37	-1.0	-84.61	360.58	4.11	-80.50
CN1N=C(C(=O)NCC(F)=C2CN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033838278	0	36	-1.0	-57.22	346.71	-1.80	-59.02
O=C(NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1)C1=C[N-]N=CC1=O	REAL300033838365	0	35	-1.0	-43.64	333.61	0.15	-43.49
O=C(NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300033838457	0	34	-1.0	-51.09	329.39	-2.01	-53.10
C[PH](C)([O-])C(=O)C(=O)NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1	REAL300033838462	0	39	-1.0	-53.77	362.34	-0.59	-54.36
O=C(CCC1=NC(=O)NN1)NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1	REAL300033838487	0	39	-1.0	-65.04	365.27	-2.20	-67.24
O=C(CCC1=NC(=O)[N-]N1)NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1	REAL300033838487	1	39	-1.0	-65.04	365.27	-2.20	-67.24
O=C(NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1)C1=CC=CN([O-])C1=O	REAL300033838491	0	37	-1.0	-62.70	349.61	2.25	-60.45
CC1SC(C(=O)NCC(F)=C2CN(C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300033838519	0	36	-1.0	-58.65	355.93	-1.88	-60.53
CC1=C([O-])N=C(C(=O)NCC(F)=C2CN(C(=O)C3=NSNC3=O)C2)S1	REAL300033838519	1	36	-1.0	-58.65	355.93	-1.88	-60.53
O=C(NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)N1	REAL300033838532	0	36	-1.0	-48.10	359.54	1.29	-46.81
O=C(NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300033838532	1	36	-1.0	-48.10	359.54	1.29	-46.81
O=C(NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N([O-])C=C1	REAL300033838549	0	37	-1.0	-69.82	352.35	2.19	-67.63
O=C(NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300033838580	0	37	-1.0	-80.42	349.47	3.07	-77.35
O=C(C[N-]C(=O)C(F)(F)F)NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1	REAL300033838696	0	36	-1.0	-50.06	359.51	-2.11	-52.17
O=C(CC1=NC([O-])=CS1)NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1	REAL300033838740	0	36	-1.0	-69.86	355.90	-2.08	-71.94
CC1=CC(=O)C(C(=O)NCC(F)=C2CN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033838962	0	38	-1.0	-52.57	358.10	1.80	-50.77
O=C(NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)N[N-]1	REAL300033838975	0	33	-1.0	-51.35	323.98	-3.30	-54.65
O=C(NCC(F)=C1CN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300033839082	0	36	-1.0	-66.89	364.76	-0.42	-67.31
COC1=NC(C(=O)NCC(F)=C2CN(C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300033839094	0	39	-1.0	-56.14	370.11	-4.00	-60.14
O=C(NCC(F)=C1CN(C(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300033839350	1	36	-1.0	-66.03	341.20	1.54	-64.49
O=C(NCC(F)=C1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300033839471	0	35	-1.0	-59.26	340.80	-4.09	-63.35
O=C(CN1C(=O)[N-]NC1=O)N1CC(=C(F)CNC(=O)C2=NSNC2=O)C1	REAL300033839626	0	37	-1.0	-58.22	357.40	-2.39	-60.61
O=C(NCC(F)=C1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=NSNC1=O	REAL300033840890	1	37	-1.0	-64.00	358.67	3.17	-60.83
N#CC1=CC([O-])=CC(C(=O)N2CC(=C(F)CNC(=O)C3=NSNC3=O)C2)=C1	REAL300033840914	1	38	-1.0	-58.62	365.47	1.37	-57.25
O=C(NCC(F)=C1CN(C(=O)C2=COC(=O)[N-]2)C1)C1=NSNC1=O	REAL300033841012	1	33	-1.0	-54.43	324.73	-2.65	-57.08
O=C(C[N-]C(=O)C(F)(F)F)N1CC(=C(F)CNC(=O)C2=NSNC2=O)C1	REAL300033841076	0	36	-1.0	-53.47	361.78	-2.20	-55.67
O=C(NCC(F)=C1CN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=NSNC1=O	REAL300033841097	1	37	-1.0	-59.19	348.63	1.10	-58.09
O=C(NCC(F)=C1CN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=NSNC1=O	REAL300033841103	0	36	-1.0	-55.70	349.55	0.52	-55.18
N#CC1=CC=C(C(=O)N2CC(=C(F)CNC(=O)C3=NSNC3=O)C2)C=C1[O-]	REAL300033841109	1	38	-1.0	-63.56	364.25	1.44	-62.12
O=C(NCC(F)=C1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=NSNC1=O	REAL300033841112	0	36	-1.0	-60.44	354.07	1.26	-59.18
O=C(CN1N=CC(=O)[N-]C1=O)N1CC(=C(F)CNC(=O)C2=NSNC2=O)C1	REAL300033841127	0	38	-1.0	-63.62	367.67	-3.61	-67.23
CC1=CC=C([O-])C(C(=O)N2CC(=C(F)CNC(=O)C3=NSNC3=O)C2)=N1	REAL300033841187	1	39	-1.0	-66.60	362.81	2.13	-64.47
O=C(CCC1=NC(=O)[N-]N1)N1CC(=C(F)CNC(=O)C2=NSNC2=O)C1	REAL300033841188	1	39	-1.0	-63.35	367.65	-2.29	-65.64
O=C(NCC(F)=C1CN(C(=O)C2=C[N-]N=CC2=O)C1)C1=NSNC1=O	REAL300033841204	0	35	-1.0	-54.56	332.30	0.78	-53.78
O=C(NCC(F)=C1CN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=NSNC1=O	REAL300033841213	0	37	-1.0	-72.66	348.17	2.72	-69.94
O=C(NCC(F)=C1CN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=NSNC1=O	REAL300033841298	1	37	-1.0	-70.84	348.49	1.08	-69.76
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300033841394	0	34	-1.0	-54.19	329.56	-2.04	-56.23
C[PH](C)([O-])C(=O)C(=O)N1CC(=C(F)CNC(=O)C2=NSNC2=O)C1	REAL300033841400	0	39	-1.0	-51.68	362.73	-0.82	-52.50
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=NSNC1=O	REAL300033841483	0	37	-1.0	-72.41	350.58	1.55	-70.86
O=C(NCC(F)=C1CN(C(=O)C2=NNC(=O)[N-]2)C1)C1=NSNC1=O	REAL300033841506	0	33	-1.0	-57.96	324.19	-3.50	-61.46
O=C(NCC(F)=C1CN(C(=O)C2=C(O)C=CC=C2Cl)C1)C1=NSNC1=O	REAL300033841508	0	37	-1.0	-58.33	367.91	1.88	-56.45
O=C(NCC(F)=C1CN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=NSNC1=O	REAL300033841508	1	37	-1.0	-58.33	367.91	1.88	-56.45
O=C(NCC(F)=C1CN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=NSNC1=O	REAL300033841512	0	37	-1.0	-83.71	348.19	2.61	-81.10
O=C(NCC(F)=C1CN(C(=O)C2=CC(F)=CC=C2O)C1)C1=NSNC1=O	REAL300033841668	0	37	-1.0	-63.35	351.28	2.59	-60.76
O=C(NCC(F)=C1CN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=NSNC1=O	REAL300033841668	1	37	-1.0	-63.35	351.28	2.59	-60.76
CC1=CC=NC(C(=O)N2CC(=C(F)CNC(=O)C3=NSNC3=O)C2)=C1O	REAL300033841730	0	39	-1.0	-65.71	361.53	2.23	-63.48
CC1=CC=NC(C(=O)N2CC(=C(F)CNC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300033841730	1	39	-1.0	-65.71	361.53	2.23	-63.48
O=C(NCC(F)=C1CN(C(=O)C2=CN=CC(O)=C2)C1)C1=NSNC1=O	REAL300033841830	0	36	-1.0	-53.79	339.06	-0.71	-54.50
O=C(NCC(F)=C1CN(C(=O)C2=CN=CC([O-])=C2)C1)C1=NSNC1=O	REAL300033841830	1	36	-1.0	-53.79	339.06	-0.71	-54.50
O=C(NCC(F)=C1CN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=NSNC1=O	REAL300033841839	0	37	-1.0	-90.27	358.40	3.63	-86.64
O=C(NCC(F)=C1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=NSNC1=O	REAL300033841940	0	36	-1.0	-51.34	359.50	0.33	-51.01
O=C(NCC(F)=C1CN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=NSNC1=O	REAL300033841975	1	37	-1.0	-57.64	356.62	1.55	-56.09
O=C(CC1=NC([O-])=CS1)N1CC(=C(F)CNC(=O)C2=NSNC2=O)C1	REAL300033841986	0	36	-1.0	-73.16	358.17	-2.16	-75.32
O=C(NCC(F)=C1CN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=NSNC1=O	REAL300033842001	0	37	-1.0	-59.25	358.41	1.50	-57.75
O=C(CN1[N-]C(=O)C=CC1=O)N1CC(=C(F)CNC(=O)C2=NSNC2=O)C1	REAL300033842002	0	39	-1.0	-61.13	373.44	-1.50	-62.63
O=C(NCC(F)=C1CN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=NSNC1=O	REAL300033842003	0	37	-1.0	-66.95	348.35	2.74	-64.21
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(=C(F)CNC(=O)C2=NSNC2=O)C1	REAL300033842033	0	40	-1.0	-68.83	377.81	1.97	-66.86
O=C(NCC(F)=C1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300033842121	0	37	-1.0	-67.13	357.97	3.19	-63.94
CC1=CC(=O)C(C(=O)N2CC(=C(F)CNC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033842149	0	38	-1.0	-57.27	357.95	1.77	-55.50
O=C(NCC(F)=C1CN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=NSNC1=O	REAL300033842173	0	37	-1.0	-86.92	347.28	2.59	-84.33
N#CC1=CC=C(C(=O)N2CC(=C(F)CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033842197	0	37	-1.0	-62.37	357.99	0.64	-61.73
CN1N=C(C(=O)N2CC(=C(F)CNC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300033842239	0	36	-1.0	-60.62	346.95	-1.83	-62.45
O=C(NCC(F)=C1CN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C1=NSNC1=O	REAL300033842285	0	38	-1.0	-63.89	369.11	-0.52	-64.41
O=C(NCC(F)=C1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=NSNC1=O	REAL300033842285	1	38	-1.0	-63.89	369.11	-0.52	-64.41
N#CC1=CC=C([O-])C(C(=O)N2CC(=C(F)CNC(=O)C3=NSNC3=O)C2)=C1	REAL300033842294	0	38	-1.0	-60.59	365.73	2.95	-57.64
O=C(NCC(F)=C1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=NSNC1=O	REAL300033842374	0	37	-1.0	-57.72	353.50	0.36	-57.36
O=C(NCC(F)=C1CN(C(=O)C2=CC=C(F)C(O)=C2)C1)C1=NSNC1=O	REAL300033842425	0	37	-1.0	-67.77	350.83	1.05	-66.72
O=C(NCC(F)=C1CN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=NSNC1=O	REAL300033842425	1	37	-1.0	-67.77	350.83	1.05	-66.72
O=C(NCC(F)=C1CN(C(=O)C2=CC=C(Cl)C=C2O)C1)C1=NSNC1=O	REAL300033842443	0	37	-1.0	-66.58	358.67	3.18	-63.40
O=C(NCC(F)=C1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=NSNC1=O	REAL300033842443	1	37	-1.0	-66.58	358.67	3.18	-63.40
O=C(NCC(F)=C1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300033842506	0	35	-1.0	-55.86	342.30	-4.69	-60.55
O=C(NCC(F)=C1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300033842506	1	35	-1.0	-51.23	342.98	-4.04	-55.27
COC1=NC(C(=O)N2CC(=C(F)CNC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300033842632	0	39	-1.0	-58.57	368.75	-3.80	-62.37
O=C(NCC(F)=C1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300033842641	0	36	-1.0	-60.17	357.35	2.17	-58.00
O=C(NCC(F)=C1CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1)C1=NSNC1=O	REAL300033842679	0	37	-1.0	-63.55	360.63	1.54	-62.01
O=C(NCC(F)=C1CN(C(=O)C2=CC=NC=C2[O-])C1)C1=NSNC1=O	REAL300033842687	0	36	-1.0	-66.77	337.75	0.86	-65.91
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NSNC1=O	REAL300033842693	0	33	-1.0	-56.77	324.51	-1.62	-58.39
CC1=C([O-])N=C(C(=O)N2CC(=C(F)CNC(=O)C3=NSNC3=O)C2)S1	REAL300033842715	1	36	-1.0	-60.86	356.20	-1.67	-62.53
O=C(NCC(F)=C1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=NSNC1=O	REAL300033842803	1	39	-1.0	-57.01	366.85	1.22	-55.79
O=C(NCC(F)=C1CN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=NSNC1=O	REAL300033842820	0	36	-1.0	-68.37	363.04	-0.76	-69.13
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=NSNC1=O	REAL300033842839	1	36	-1.0	-50.86	359.22	1.37	-49.49
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=NSNC1=O	REAL300033842859	0	37	-1.0	-54.18	350.19	-3.34	-57.52
CCN1[N-]C(C(=O)N2CC(=C(F)CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033842915	0	40	-1.0	-57.34	374.11	0.59	-56.75
CN1[N-]C(C(=O)N2CC(=C(F)CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033842932	0	37	-1.0	-56.66	352.38	-0.34	-57.00
O=C(CC1=CC(=O)N[N-]1)N1CC(=C(F)CNC(=O)C2=NSNC2=O)C1	REAL300033843062	1	37	-1.0	-61.09	352.37	-1.33	-62.42
O=C(NCC(F)=C1CN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300033843067	1	37	-1.0	-58.97	350.80	1.09	-57.88
O=C(NCC(F)=C1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=NSNC1=O	REAL300033843114	0	36	-1.0	-64.87	353.38	1.28	-63.59
CC1=C(CC(=O)N2CC(=C(F)CNC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300033843129	0	43	-1.0	-62.15	395.26	1.06	-61.09
CC1=CN=C(C(=O)N2CC(=C(F)CNC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300033843164	1	39	-1.0	-67.33	362.65	2.17	-65.16
O=C(NCC(F)=C1CN(C(=O)C2=CC([O-])=CS2)C1)C1=NSNC1=O	REAL300033843183	0	34	-1.0	-64.91	336.82	0.08	-64.83
O=C(NCC(F)=C1CN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=NSNC1=O	REAL300033843199	0	37	-1.0	-71.67	350.17	1.56	-70.11
CN1[N-]C(C(=O)NCC(F)=C2CN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033843342	0	37	-1.0	-53.55	352.20	-0.30	-53.85
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CN1N=C(C(=O)N2CCCCC2CCNC(=O)C2=NSNC2=O)[N-]C1=O	REAL300033847261	0	44	-1.0	-56.06	368.29	-0.24	-56.30
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NC1=NC=C(C(=O)N2CCCCC2CCNC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033847425	1	45	-1.0	-51.66	373.16	-0.31	-51.97
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CC1SC(C(=O)N2CCCCC2CCNC(=O)C2=NSNC2=O)=NC1=O	REAL300033847507	0	44	-1.0	-55.45	378.02	0.39	-55.06
CC1=C([O-])N=C(C(=O)N2CCCCC2CCNC(=O)C2=NSNC2=O)S1	REAL300033847507	1	44	-1.0	-55.45	378.02	0.39	-55.06
CCN1[N-]C(C(=O)N2CCCCC2CCNC(=O)C2=NSNC2=O)=CC1=O	REAL300033847624	0	48	-1.0	-52.66	395.55	2.24	-50.42
CN1[N-]C(C(=O)N2CCCCC2CCNC(=O)C2=NSNC2=O)=CC1=O	REAL300033847636	0	45	-1.0	-52.02	373.35	1.29	-50.73
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O=C(NCCC1CCCCN1C(=O)C1=CC=C([O-])C(F)=C1)C1=NSNC1=O	REAL300033847702	1	45	-1.0	-54.89	374.74	2.54	-52.35
CC1=CN=C(C(=O)N2CCCCC2CCNC(=O)C2=NSNC2=O)C(O)=C1	REAL300033847748	0	47	-1.0	-60.94	384.25	3.68	-57.26
CC1=CN=C(C(=O)N2CCCCC2CCNC(=O)C2=NSNC2=O)C([O-])=C1	REAL300033847748	1	47	-1.0	-60.94	384.25	3.68	-57.26
O=C(NCCC1CCCCN1C(=O)C1=CC([O-])=CS1)C1=NSNC1=O	REAL300033847759	0	42	-1.0	-61.60	359.06	1.33	-60.27
O=C(NCCC1CCCCN1C(=O)C1=CN([O-])C(=O)C=C1)C1=NSNC1=O	REAL300033847768	0	45	-1.0	-66.98	374.22	3.02	-63.96
CN1[N-]C(C(=O)NCCC2CCCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300033847856	0	45	-1.0	-57.32	373.68	1.11	-56.21
O=C(NCCC1CCCCN1C(=O)C1=NSNC1=O)C1=NC(=O)[N-]C(=O)N1	REAL300033847941	0	43	-1.0	-58.14	363.92	-3.66	-61.80
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O=C(CCCN1C(=O)[N-]NC1=O)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033849226	0	43	-1.0	-58.54	386.13	-0.48	-59.02
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033849455	0	41	-1.0	-64.48	373.95	-3.21	-67.69
CC(=O)[N-]C1=NC(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)C3)=CS1	REAL300033849456	1	39	-1.0	-50.96	365.72	0.45	-50.51
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033849625	1	42	-1.0	-64.44	379.57	0.92	-63.52
COC1=C(C(=O)N2CC3(CN(C(=O)C4=NSNC4=O)C3)C2)NC(=O)[N-]C1=O	REAL300033849743	1	40	-1.0	-62.98	359.07	-2.12	-65.10
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300033849867	0	35	-1.0	-58.48	327.06	-3.29	-61.77
O=C(CN1C(=O)[N-]NC1=O)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033849991	0	37	-1.0	-57.80	343.62	-1.67	-59.47
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300033850918	0	37	-1.0	-78.92	335.92	2.34	-76.58
O=C(C[N-]C(=O)C(F)(F)F)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033852057	0	36	-1.0	-58.76	348.18	-1.40	-60.16
NC1=NC([O-])=C(CC(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)C3)S1	REAL300033852058	0	38	-1.0	-71.28	359.26	-2.24	-73.52
O=C(CC1=NC([O-])=CS1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033852123	0	36	-1.0	-72.80	344.45	-1.35	-74.15
CCC1=NC=C(C(=O)N2CC3(CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)[N-]1	REAL300033852150	1	41	-1.0	-73.11	359.38	1.91	-71.20
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033852162	0	38	-1.0	-63.32	353.96	-2.80	-66.12
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=C(Cl)C(=O)[N-]S1)C2	REAL300033852245	0	33	-1.0	-55.83	331.58	-0.25	-56.08
COCC1=NC=C(C(=O)N2CC3(CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)N1	REAL300033852358	0	42	-1.0	-72.54	372.31	0.15	-72.39
COCC1=NC=C(C(=O)N2CC3(CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)[N-]1	REAL300033852358	1	42	-1.0	-72.54	372.31	0.15	-72.39
CC1=CC(=O)C(C(=O)N2CC3(CN(C(=O)C4=NSNC4=O)C3)C2)=N[N-]1	REAL300033852465	0	38	-1.0	-56.56	344.25	2.57	-53.99
O=C(C1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033852484	0	33	-1.0	-62.69	310.42	-2.69	-65.38
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C2	REAL300033852509	0	38	-1.0	-54.55	350.91	1.27	-53.28
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C2	REAL300033852509	1	38	-1.0	-54.55	350.91	1.27	-53.28
O=C(C1=CN=C(C=N[O-])S1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033852651	0	36	-1.0	-73.40	349.27	0.03	-73.37
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=NC=CC=C1O)C2	REAL300033852931	0	36	-1.0	-72.78	327.47	2.37	-70.41
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=NC=CC=C1[O-])C2	REAL300033852931	1	36	-1.0	-72.78	327.47	2.37	-70.41
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033853055	1	42	-1.0	-64.44	379.57	0.92	-63.52
CC(=O)[N-]C1=NC(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)C3)=CS1	REAL300033853067	1	39	-1.0	-50.96	365.72	0.45	-50.51
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300033853102	0	35	-1.0	-58.48	327.06	-3.29	-61.77
COC1=C(C(=O)N2CC3(CN(C(=O)C4=NSNC4=O)C3)C2)NC(=O)[N-]C1=O	REAL300033853158	1	40	-1.0	-62.98	359.07	-2.12	-65.10
O=C(CN1C(=O)[N-]NC1=O)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033853339	0	37	-1.0	-57.80	343.62	-1.67	-59.47
O=C(CCCN1C(=O)[N-]NC1=O)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033854403	0	43	-1.0	-58.54	386.13	-0.48	-59.02
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300033854626	1	42	-1.0	-64.78	370.19	2.58	-62.20
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CN=CC([O-])=C1)C2	REAL300033857056	1	36	-1.0	-59.96	325.86	-0.04	-60.00
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=CC(=S)N1[O-])C2	REAL300033857069	0	37	-1.0	-101.36	345.13	4.43	-96.93
NC1=CC(C(=O)N2CC3(CN(C(=O)C4=NSNC4=O)C3)C2)=CC([O-])=C1Cl	REAL300033857233	1	39	-1.0	-57.92	359.08	0.25	-57.67
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=C([O-])C(Cl)=N1)C2	REAL300033857238	0	36	-1.0	-53.83	345.76	1.16	-52.67
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=C([O-])C=C1Cl)C2	REAL300033857305	1	37	-1.0	-62.75	347.04	2.38	-60.37
N#CC1=CC(C(=O)N2CC3(CN(C(=O)C4=NSNC4=O)C3)C2)=C([O-])C=C1N	REAL300033857308	0	40	-1.0	-59.74	364.62	1.65	-58.09
O=C(CC1=NC([O-])=CS1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033857320	0	36	-1.0	-72.80	344.45	-1.35	-74.15
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=C([O-])C=CC=C1F)C2	REAL300033857343	0	37	-1.0	-58.13	344.64	2.20	-55.93
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033857346	0	39	-1.0	-58.48	359.73	-0.70	-59.18
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=C(F)C=C1[O-])C2	REAL300033857348	0	37	-1.0	-75.46	338.27	3.35	-72.11
CC1=CC=C(F)C([O-])=C1C(=O)N1CC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300033857397	0	40	-1.0	-67.48	364.09	2.76	-64.72
O=C(CC1SC(=O)[N-]C1=O)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033857489	0	37	-1.0	-60.10	352.10	-2.13	-62.23
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=C([O-])C(F)=C1F)C2	REAL300033857522	0	37	-1.0	-67.50	343.72	2.03	-65.47
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C2	REAL300033857525	1	38	-1.0	-58.23	360.90	0.62	-57.61
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=CC(Cl)=C1[O-])C2	REAL300033857531	0	37	-1.0	-62.93	347.19	3.83	-59.10
CC1=CC(=O)C(C(=O)N2CC3(CN(C(=O)C4=NSNC4=O)C3)C2)=N[N-]1	REAL300033857568	0	38	-1.0	-56.56	344.25	2.57	-53.99
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033857574	0	42	-1.0	-66.72	376.13	2.37	-64.35
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300033857606	0	37	-1.0	-97.25	334.02	3.38	-93.87
N#CC1=CC=C(C(=O)N2CC3(CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)[N-]1	REAL300033857653	0	37	-1.0	-59.46	344.24	1.43	-58.03
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033857654	0	39	-1.0	-59.62	364.83	-5.09	-64.71
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033857654	1	39	-1.0	-53.26	364.77	-5.03	-58.29
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C2	REAL300033857685	0	39	-1.0	-50.95	358.70	3.45	-47.50
CN1N=C(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300033857729	0	36	-1.0	-65.78	333.18	-1.02	-66.80
[N-]=[N+]=NC1=CC(C(=O)N2CC3(CN(C(=O)C4=NSNC4=O)C3)C2)=CC=C1[O-]	REAL300033857768	0	39	-1.0	-62.12	358.11	-0.38	-62.50
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=C(F)C=CC(O)=C1O)C2	REAL300033857811	0	38	-1.0	-61.95	355.39	0.28	-61.67
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=C(F)C=CC(O)=C1[O-])C2	REAL300033857811	1	38	-1.0	-61.95	355.39	0.28	-61.67
N#CC1=CC=C([O-])C(C(=O)N2CC3(CN(C(=O)C4=NSNC4=O)C3)C2)=C1	REAL300033857822	0	38	-1.0	-58.00	351.75	3.78	-54.22
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CN([O-])C(=O)NC1=O)C2	REAL300033857957	0	37	-1.0	-63.00	339.79	1.06	-61.94
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC(Cl)=C(F)C=C1[O-])C2	REAL300033857995	0	37	-1.0	-57.90	353.46	3.94	-53.96
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=C(F)C([O-])=C1)C2	REAL300033858027	1	37	-1.0	-75.72	336.60	1.82	-73.90
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=C([O-])C3=NC=CC=C3C=C1)C2	REAL300033858036	1	42	-1.0	-86.20	371.77	3.89	-82.31
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C2	REAL300033858040	0	39	-1.0	-73.02	360.03	3.93	-69.09
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C2	REAL300033858043	0	39	-1.0	-54.29	359.09	4.06	-50.23
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=C(Cl)C=C1[O-])C2	REAL300033858057	1	37	-1.0	-74.96	348.59	3.80	-71.16
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C2	REAL300033858078	0	39	-1.0	-54.64	358.58	2.42	-52.22
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300033858162	0	35	-1.0	-51.31	329.20	-3.24	-54.55
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300033858162	1	35	-1.0	-51.31	329.20	-3.24	-54.55
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2	REAL300033858197	0	39	-1.0	-59.47	352.62	0.83	-58.64
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=C(O)C3=CC=CC=C3C=N1)C2	REAL300033858240	0	42	-1.0	-76.83	372.66	4.69	-72.14
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2	REAL300033858240	1	42	-1.0	-76.83	372.66	4.69	-72.14
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=C(Cl)C(=O)[N-]S1)C2	REAL300033858241	0	33	-1.0	-55.83	331.58	-0.25	-56.08
NC1=NC=C(C(=O)N2CC3(CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)N1	REAL300033858265	0	37	-1.0	-73.83	332.68	0.29	-73.54
NC1=NC=C(C(=O)N2CC3(CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)[N-]1	REAL300033858265	1	37	-1.0	-73.83	332.68	0.29	-73.54
CC1=C(C(=O)N2CC3(CN(C(=O)C4=NSNC4=O)C3)C2)[N-]C(=O)C(C#N)=C1	REAL300033858299	0	40	-1.0	-51.65	365.13	1.78	-49.87
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2	REAL300033858383	0	37	-1.0	-60.60	352.55	2.40	-58.20
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C2	REAL300033858389	0	38	-1.0	-54.55	350.91	1.27	-53.28
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C2	REAL300033858389	1	38	-1.0	-54.55	350.91	1.27	-53.28
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=C3N[N-]N=C3C1=O)C2	REAL300033858398	0	39	-1.0	-67.85	359.34	0.60	-67.25
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=NC=CC(Cl)=C1[O-])C2	REAL300033858411	0	36	-1.0	-68.97	343.67	2.89	-66.08
O=C(CC1=CC=C(O)C(Cl)=C1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033858417	0	40	-1.0	-64.58	375.62	3.47	-61.11
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033858417	1	40	-1.0	-64.58	375.62	3.47	-61.11
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033858479	0	33	-1.0	-62.86	310.84	-0.91	-63.77
CC1SC(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)C3)=NC1=O	REAL300033858514	0	36	-1.0	-61.01	342.44	-0.82	-61.83
CC1=C([O-])N=C(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)C3)S1	REAL300033858514	1	36	-1.0	-61.01	342.44	-0.82	-61.83
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=C(O)C=CC3=CC=CC=C31)C2	REAL300033858565	0	43	-1.0	-75.27	383.64	4.36	-70.91
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=C([O-])C=CC3=CC=CC=C31)C2	REAL300033858565	1	43	-1.0	-75.27	383.64	4.36	-70.91
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=C(O)C3=CC=CC=C3C=C1)C2	REAL300033858585	0	43	-1.0	-79.70	375.90	5.73	-73.97
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=C([O-])C3=CC=CC=C3C=C1)C2	REAL300033858585	1	43	-1.0	-79.70	375.90	5.73	-73.97
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC3=CC=CC=C3C=C1O)C2	REAL300033858593	0	43	-1.0	-84.84	377.05	5.71	-79.13
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC3=CC=CC=C3C=C1[O-])C2	REAL300033858593	1	43	-1.0	-84.84	377.05	5.71	-79.13
O=C(C(=O)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2)C1=CC=C(O)C=C1	REAL300033858645	0	39	-1.0	-57.16	353.09	2.04	-55.12
O=C(C(=O)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2)C1=CC=C([O-])C=C1	REAL300033858645	1	39	-1.0	-57.16	353.09	2.04	-55.12
O=C(C1=CN=C(C=N[O-])S1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033858683	0	36	-1.0	-73.40	349.27	0.03	-73.37
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)C=C(Cl)N1)C2	REAL300033858719	0	36	-1.0	-55.70	345.48	2.18	-53.52
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2	REAL300033858719	1	36	-1.0	-55.70	345.48	2.18	-53.52
CSC1=NC=C(C(=O)N2CC3(CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)N1	REAL300033858745	0	39	-1.0	-74.65	360.62	1.45	-73.20
CSC1=NC=C(C(=O)N2CC3(CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)[N-]1	REAL300033858745	1	39	-1.0	-74.65	360.62	1.45	-73.20
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300033858754	0	37	-1.0	-53.44	336.43	-2.55	-55.99
CCN1[N-]C(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033858837	0	40	-1.0	-57.19	360.33	1.40	-55.79
CN1[N-]C(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033858859	0	37	-1.0	-56.56	338.60	0.47	-56.09
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=CC3=C1C(=O)NC3=O)C2	REAL300033858873	0	40	-1.0	-68.68	363.54	0.33	-68.35
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=CC3=C1C(=O)[N-]C3=O)C2	REAL300033858873	1	40	-1.0	-68.68	363.54	0.33	-68.35
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033858877	0	37	-1.0	-58.00	354.92	-1.42	-59.42
CC1=C(C(=O)N2CC3(CN(C(=O)C4=NSNC4=O)C3)C2)C(=S)NC(=O)N1	REAL300033858879	0	39	-1.0	-78.99	367.70	0.11	-78.88
CC1=C(C(=O)N2CC3(CN(C(=O)C4=NSNC4=O)C3)C2)C(=S)[N-]C(=O)N1	REAL300033858879	1	39	-1.0	-78.99	367.70	0.11	-78.88
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=C(O)C=NC3=CC=CC=C31)C2	REAL300033858950	0	42	-1.0	-59.96	378.33	2.42	-57.54
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=C([O-])C=NC3=CC=CC=C31)C2	REAL300033858950	1	42	-1.0	-59.96	378.33	2.42	-57.54
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033859967	0	39	-1.0	-58.48	359.73	-0.70	-59.18
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033859981	0	33	-1.0	-62.86	310.84	-0.91	-63.77
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CN([O-])C(=O)NC1=O)C2	REAL300033860000	0	37	-1.0	-63.00	339.79	1.06	-61.94
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C2	REAL300033860035	1	38	-1.0	-58.23	360.90	0.62	-57.61
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300033861201	0	38	-1.0	-62.97	347.06	-5.25	-68.22
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)CN1C(=O)[N-]NC1=O	REAL300033861284	0	40	-1.0	-63.79	360.50	-3.45	-67.24
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300033861854	0	40	-1.0	-73.81	358.15	0.94	-72.87
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300033861968	0	40	-1.0	-54.31	357.97	-3.88	-58.19
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C1=COC(=O)[N-]1	REAL300033861979	1	36	-1.0	-55.69	329.99	-4.04	-59.73
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1[N-]C(=O)C(F)(F)C(F)(F)F	REAL300033862066	0	35	-1.0	-42.40	335.03	-0.84	-43.24
CCN1[N-]C(C(=O)N[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2OC)=CC1=O	REAL300033862145	0	43	-1.0	-60.04	379.37	-0.38	-60.42
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)CC1=CC(=O)N[N-]1	REAL300033862152	1	40	-1.0	-65.44	355.49	-2.41	-67.85
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C1=CC=CC(=S)N1[O-]	REAL300033862167	0	40	-1.0	-91.98	366.70	2.96	-89.02
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300033862190	0	39	-1.0	-65.07	352.72	-2.94	-68.01
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300033862277	0	38	-1.0	-51.55	339.75	-0.98	-52.53
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300033862369	0	37	-1.0	-56.01	334.86	-3.04	-59.05
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300033862374	0	42	-1.0	-54.85	369.02	-1.54	-56.39
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)CCC1=NC(=O)NN1	REAL300033862399	0	42	-1.0	-66.88	371.42	-3.47	-70.35
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)CCC1=NC(=O)[N-]N1	REAL300033862399	1	42	-1.0	-66.88	371.42	-3.47	-70.35
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C1=CC=CN([O-])C1=O	REAL300033862403	0	40	-1.0	-67.89	355.68	1.10	-66.79
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C1=NC(=O)C(C)S1	REAL300033862431	0	39	-1.0	-63.64	362.05	-3.03	-66.67
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C1=NC([O-])=C(C)S1	REAL300033862431	1	39	-1.0	-63.64	362.05	-3.03	-66.67
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C1=CC(=O)C=C(Cl)N1	REAL300033862444	0	39	-1.0	-53.18	365.03	0.24	-52.94
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300033862444	1	39	-1.0	-53.18	365.03	0.24	-52.94
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300033862461	0	40	-1.0	-74.55	358.51	0.90	-73.65
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300033862492	0	40	-1.0	-88.86	355.59	1.92	-86.94
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)CC1=NC([O-])=CS1	REAL300033862652	0	39	-1.0	-74.84	362.07	-3.24	-78.08
CCC1=NC=C(C(=O)N[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2OC)C(=O)N1	REAL300033862670	0	44	-1.0	-54.54	380.06	-0.52	-55.06
CCC1=NC=C(C(=O)N[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2OC)C(=O)[N-]1	REAL300033862670	1	44	-1.0	-54.54	380.06	-0.52	-55.06
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C1=N[N-]C(C)=CC1=O	REAL300033862874	0	41	-1.0	-62.55	364.26	0.63	-61.92
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300033862887	0	36	-1.0	-58.28	330.09	-4.44	-62.72
CO[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C1=CN=C(C=N[O-])S1	REAL300033862994	0	39	-1.0	-69.22	370.88	-1.56	-70.78
COC1=NC(C(=O)N[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2OC)=CC(=O)[N-]1	REAL300033863006	0	42	-1.0	-63.56	376.23	-5.14	-68.70
CO[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033863262	1	39	-1.0	-66.87	347.28	0.50	-66.37
CO[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033863383	0	38	-1.0	-57.29	346.32	-5.19	-62.48
CO[C@@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033863538	0	40	-1.0	-59.85	363.64	-3.75	-63.60
CO[C@@H]1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033864802	1	40	-1.0	-61.60	368.42	1.68	-59.92
CO[C@@H]1CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033864826	1	41	-1.0	-48.55	370.68	0.03	-48.52
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CO[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033864924	1	36	-1.0	-49.49	329.93	-3.21	-52.70
CO[C@@H]1CN(C(=O)C[N-]C(=O)C(F)(F)F)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033864988	0	39	-1.0	-51.93	368.09	-3.47	-55.40
CO[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2F)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865009	1	40	-1.0	-56.15	359.74	-0.10	-56.25
CO[C@@H]1CN(C(=O)C2=CC([O-])=CC(=O)O2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865015	0	39	-1.0	-50.93	355.04	-0.71	-51.64
CO[C@@H]1CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865021	1	41	-1.0	-58.78	369.77	0.13	-58.65
CO[C@@H]1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865024	0	39	-1.0	-58.59	364.85	-0.71	-59.30
CO[C@@H]1CN(C(=O)CN2N=CC(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865039	0	41	-1.0	-64.24	374.04	-4.88	-69.12
CO[C@@H]1CN(C(=O)C2=NC(C)=CC=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865099	1	42	-1.0	-66.84	368.33	1.17	-65.67
CO[C@@H]1CN(C(=O)CCC2=NC(=O)[N-]N2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865100	1	42	-1.0	-61.15	373.95	-3.65	-64.80
CO[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865116	0	38	-1.0	-50.60	348.79	-1.51	-52.11
CO[C@@H]1CN(C(=O)C2=CC=CC(F)=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865125	0	40	-1.0	-70.51	357.95	1.20	-69.31
CO[C@@H]1CN(C(=O)C2=CC=CC([O-])=C2F)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865210	1	40	-1.0	-67.24	358.19	-0.12	-67.36
CO[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865306	0	37	-1.0	-51.30	334.83	-3.11	-54.41
CO[C@@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865312	0	42	-1.0	-51.80	369.35	-1.85	-53.65
CO[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865395	0	40	-1.0	-68.38	355.59	0.28	-68.10
CO[C@@H]1CN(C(=O)C2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865418	0	36	-1.0	-55.93	330.30	-4.69	-60.62
CO[C@@H]1CN(C(=O)C2=C(O)C=CC=C2Cl)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865420	0	40	-1.0	-59.45	374.59	0.55	-58.90
CO[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2Cl)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865420	1	40	-1.0	-59.45	374.59	0.55	-58.90
CO[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865424	0	40	-1.0	-76.38	365.55	0.57	-75.81
CO[C@@H]1CN(C(=O)C2=CC(F)=CC=C2O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865580	0	40	-1.0	-60.85	358.11	1.21	-59.64
CO[C@@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865580	1	40	-1.0	-60.85	358.11	1.21	-59.64
CO[C@@H]1CN(C(=O)C2=NC=CC(C)=C2O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865642	0	42	-1.0	-66.04	367.59	1.20	-64.84
CO[C@@H]1CN(C(=O)C2=NC=CC(C)=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865642	1	42	-1.0	-66.04	367.59	1.20	-64.84
CO[C@@H]1CN(C(=O)C2=CN=CC(O)=C2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865742	0	39	-1.0	-57.61	346.51	-2.09	-59.70
CO[C@@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865742	1	39	-1.0	-57.61	346.51	-2.09	-59.70
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CO[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865852	0	39	-1.0	-47.23	365.02	-0.58	-47.81
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CO[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2Cl)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033865887	1	40	-1.0	-54.58	368.47	0.33	-54.25
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CO[C@@H]1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033866033	0	40	-1.0	-65.19	367.75	1.65	-63.54
CO[C@@H]1CN(C(=O)C2=N[N-]C(C)=CC2=O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033866061	0	41	-1.0	-55.47	363.50	0.67	-54.80
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CC[C@@H]1CN(C(=O)C2=C(F)C=C([O-])C=C2F)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887029	0	42	-1.0	-53.98	377.20	2.39	-51.59
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CC[C@@H]1CN(C(=O)C2=CC([O-])=CC(=O)O2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887050	0	41	-1.0	-56.81	361.31	1.61	-55.20
CC[C@@H]1CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887057	1	43	-1.0	-50.82	375.33	2.39	-48.43
CC[C@@H]1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887060	0	41	-1.0	-61.98	365.34	2.21	-59.77
CC[C@@H]1CN(C(=O)CN2N=CC(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887076	0	43	-1.0	-60.42	379.59	-2.63	-63.05
CC[C@@H]1CN(C(=O)C2=NC(C)=CC=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887136	1	44	-1.0	-65.22	373.88	3.43	-61.79
CC[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887154	0	40	-1.0	-52.23	354.63	0.75	-51.48
CC[C@@H]1CN(C(=O)C2=CC=CC(F)=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887163	0	42	-1.0	-67.39	364.17	3.27	-64.12
CC[C@@H]1CN(C(=O)C2=CC=CC([O-])=C2F)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887249	1	42	-1.0	-65.25	364.44	2.23	-63.02
CC[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887347	0	39	-1.0	-54.81	340.62	-0.85	-55.66
CC[C@@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887353	0	44	-1.0	-54.37	375.31	0.41	-53.96
CC[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887440	0	42	-1.0	-69.36	371.93	2.96	-66.40
CC[C@@H]1CN(C(=O)C2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887464	0	38	-1.0	-57.75	335.98	-2.32	-60.07
CC[C@@H]1CN(C(=O)C2=C(O)C=CC=C2Cl)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887467	0	42	-1.0	-60.94	380.08	2.87	-58.07
CC[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2Cl)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887467	1	42	-1.0	-60.94	380.08	2.87	-58.07
CC[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887471	0	42	-1.0	-76.52	370.76	2.89	-73.63
CC[C@@H]1CN(C(=O)C2=C(F)C=CC(O)=C2F)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887500	0	42	-1.0	-59.36	377.64	2.47	-56.89
CC[C@@H]1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887500	1	42	-1.0	-59.36	377.64	2.47	-56.89
CC[C@@H]1CN(C(=O)C2=CC(F)=CC=C2O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887635	0	42	-1.0	-61.07	363.70	3.44	-57.63
CC[C@@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887635	1	42	-1.0	-61.07	363.70	3.44	-57.63
CC[C@@H]1CN(C(=O)C2=NC=CC(C)=C2O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887698	0	44	-1.0	-64.45	372.59	3.54	-60.91
CC[C@@H]1CN(C(=O)C2=NC=CC(C)=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887698	1	44	-1.0	-64.45	372.59	3.54	-60.91
CC[C@@H]1CN(C(=O)C2=CN=CC(O)=C2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887802	0	41	-1.0	-57.63	351.16	0.21	-57.42
CC[C@@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887802	1	41	-1.0	-57.63	351.16	0.21	-57.42
CC[C@@H]1CN(C(=O)C2=CC=CC(=S)N2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887812	0	42	-1.0	-80.45	381.32	3.36	-77.09
CC[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887919	0	41	-1.0	-53.12	370.57	1.68	-51.44
CC[C@@H]1CN(C(=O)C2=CC=C(O)C=C2Cl)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887957	0	42	-1.0	-57.27	372.37	2.57	-54.70
CC[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2Cl)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887957	1	42	-1.0	-57.27	372.37	2.57	-54.70
CC[C@@H]1CN(C(=O)CC2=NC([O-])=CS2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887968	0	41	-1.0	-69.34	370.72	-1.05	-70.39
CC[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2F)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887983	0	42	-1.0	-61.92	370.59	2.48	-59.44
CC[C@@H]1CN(C(=O)CN2[N-]C(=O)C=CC2=O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887985	0	44	-1.0	-58.00	386.29	-0.43	-58.43
CC[C@@H]1CN(C(=O)C2=CC=C(F)C=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033887986	0	42	-1.0	-62.71	362.74	3.44	-59.27
CC[C@@H]1CN(C(=O)C2=C(C)C=CC(F)=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888016	0	45	-1.0	-66.90	390.04	3.06	-63.84
CC[C@@H]1CN(C(=O)CC2SC(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888078	0	42	-1.0	-51.84	377.67	-1.88	-53.72
CC[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888103	0	42	-1.0	-57.85	370.70	2.31	-55.54
CC[C@@H]1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888109	0	42	-1.0	-62.53	373.97	3.75	-58.78
CC[C@@H]1CN(C(=O)C2=N[N-]C(C)=CC2=O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888137	0	43	-1.0	-58.06	368.57	2.90	-55.16
CC[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888162	0	42	-1.0	-77.45	370.21	2.73	-74.72
CC[C@@H]1CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888190	0	42	-1.0	-56.22	380.28	0.65	-55.57
CC[C@@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888236	0	41	-1.0	-60.55	357.92	-0.69	-61.24
CC[C@@H]1CN(C(=O)C2=C(F)C=CC(O)=C2O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888285	0	43	-1.0	-62.40	381.46	0.47	-61.93
CC[C@@H]1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888285	1	43	-1.0	-62.40	381.46	0.47	-61.93
CC[C@@H]1CN(C(=O)C2=CC(C#N)=CC=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888294	0	43	-1.0	-57.43	378.81	3.61	-53.82
CC[C@@H]1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888377	0	42	-1.0	-57.48	375.87	0.31	-57.17
CC[C@@H]1CN(C(=O)C2=CC=C(F)C(O)=C2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888428	0	42	-1.0	-63.97	361.71	2.08	-61.89
CC[C@@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888428	1	42	-1.0	-63.97	361.71	2.08	-61.89
CC[C@@H]1CN(C(=O)C2=CC=C(Cl)C=C2O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888446	0	42	-1.0	-62.50	373.06	3.90	-58.60
CC[C@@H]1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888446	1	42	-1.0	-62.50	373.06	3.90	-58.60
CC[C@@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888513	0	40	-1.0	-59.39	353.00	-3.27	-62.66
CC[C@@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888513	1	40	-1.0	-52.12	354.09	-2.51	-54.63
CC[C@@H]1CN(C(=O)C2=CN=C(N)[N-]C2=O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888567	1	42	-1.0	-60.73	368.97	-0.59	-61.32
CC[C@@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2F)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888600	0	42	-1.0	-64.83	370.66	2.31	-62.52
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]C(OC)=N2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888642	0	44	-1.0	-56.00	377.97	-2.32	-58.32
CC[C@@H]1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888651	0	41	-1.0	-60.52	368.47	3.38	-57.14
CC[C@@H]1CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888689	0	42	-1.0	-60.00	371.51	2.57	-57.43
CC[C@@H]1CN(C(=O)C2=CC=NC=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888698	0	41	-1.0	-62.67	352.35	1.59	-61.08
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888704	0	38	-1.0	-58.92	335.43	-0.67	-59.59
CC[C@@H]1CN(C(=O)C2=NC([O-])=C(C)S2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888726	1	41	-1.0	-65.02	368.22	-0.25	-65.27
CC[C@@H]1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888818	1	44	-1.0	-56.65	378.78	2.34	-54.31
CC[C@@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888837	0	41	-1.0	-65.66	373.67	0.25	-65.41
CC[C@@H]1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888858	1	41	-1.0	-50.58	370.25	2.71	-47.87
CC[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888878	0	42	-1.0	-53.19	371.17	-1.96	-55.15
CC[C@@H]1CN(C(=O)C2=CC(=O)N(CC)[N-]2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888935	0	45	-1.0	-57.69	385.16	1.78	-55.91
CC[C@@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888954	0	42	-1.0	-56.96	363.35	0.85	-56.11
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033888964	0	42	-1.0	-56.65	380.56	-1.22	-57.87
CC[C@@H]1CN(C(=O)CC2=CC(=O)N[N-]2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033889091	1	42	-1.0	-59.27	364.87	-0.34	-59.61
CC[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033889096	1	42	-1.0	-59.37	361.66	2.10	-57.27
CC[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033889142	0	42	-1.0	-59.28	367.06	2.18	-57.10
CC[C@@H]1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033889147	0	41	-1.0	-67.07	364.65	2.25	-64.82
CC[C@@H]1CN(C(=O)CC2=C(C)[N-]N(C)C2=O)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033889162	0	48	-1.0	-61.65	408.12	2.07	-59.58
CC[C@@H]1CN(C(=O)C2=NC=C(C)C=C2[O-])C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033889198	1	44	-1.0	-64.82	373.32	3.50	-61.32
CC[C@@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033889219	0	39	-1.0	-63.49	347.24	1.12	-62.37
CC[C@@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@@H]1NC(=O)C1=NSNC1=O	REAL300033889235	0	42	-1.0	-69.39	371.75	2.95	-66.44
CC[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300033889387	0	42	-1.0	-52.06	363.22	0.93	-51.13
CC[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300033889394	0	42	-1.0	-54.32	377.43	-0.91	-55.23
CC[C@@H]1CN(C(=O)C2=NSNC2=O)C[C@@H]1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300033889543	0	40	-1.0	-54.10	353.63	-3.85	-57.95
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O=C(NCC1CCCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)NC([O-])=C1	REAL300033892231	0	45	-1.0	-49.66	371.76	-0.47	-50.13
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CCN1[N-]C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300033892347	0	48	-1.0	-53.44	393.21	3.01	-50.43
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CN1N=C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300033892373	0	44	-1.0	-56.82	365.98	0.56	-56.26
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CC1=CC(=O)C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300033892805	0	46	-1.0	-52.94	377.38	4.16	-48.78
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)CC1)C1=NNC(=O)[N-]1	REAL300033892815	0	41	-1.0	-53.81	343.15	-1.10	-54.91
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CC1=CC=C([O-])C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)CC2)=N1	REAL300033894234	1	47	-1.0	-70.74	382.04	4.80	-65.94
O=C(NCC1CCCN(C(=O)C2=C[N-]N=CC2=O)CC1)C1=NSNC1=O	REAL300033894244	0	43	-1.0	-57.37	362.50	1.61	-55.76
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C[PH](C)([O-])C(=O)C(=O)N1CCCC(CNC(=O)C2=NSNC2=O)CC1	REAL300033894376	0	47	-1.0	-57.20	387.76	1.27	-55.93
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O=C(NCC1CCCN(C(=O)C2=NC(=O)N[N-]2)CC1)C1=NSNC1=O	REAL300033894437	0	41	-1.0	-54.40	343.45	-0.11	-54.51
O=C(NCC1CCCN(C(=O)C2=CC=CN([O-])C2=O)CC1)C1=NSNC1=O	REAL300033894441	0	45	-1.0	-82.26	376.51	3.64	-78.62
O=C(NCC1CCCN(C(=O)C2=CC(F)=CC=C2O)CC1)C1=NSNC1=O	REAL300033894538	0	45	-1.0	-67.34	377.34	3.55	-63.79
O=C(NCC1CCCN(C(=O)C2=CC(F)=CC=C2[O-])CC1)C1=NSNC1=O	REAL300033894538	1	45	-1.0	-67.34	377.34	3.55	-63.79
CC1=CC=NC(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)CC2)=C1O	REAL300033894579	0	47	-1.0	-69.22	381.63	4.79	-64.43
CC1=CC=NC(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)CC2)=C1[O-]	REAL300033894579	1	47	-1.0	-69.22	381.63	4.79	-64.43
O=C(NCC1CCCN(C(=O)C2=CN=CC(O)=C2)CC1)C1=NSNC1=O	REAL300033894634	0	44	-1.0	-62.78	359.20	1.01	-61.77
O=C(NCC1CCCN(C(=O)C2=CN=CC([O-])=C2)CC1)C1=NSNC1=O	REAL300033894634	1	44	-1.0	-62.78	359.20	1.01	-61.77
O=C(CC1=NC([O-])=CS1)N1CCCC(CNC(=O)C2=NSNC2=O)CC1	REAL300033894713	0	44	-1.0	-74.67	380.58	-0.18	-74.85
CC1=CC(=O)C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300033894809	0	46	-1.0	-59.85	378.15	4.00	-55.85
O=C(NCC1CCCN(C(=O)C2=CC=CC(=O)N2[O-])CC1)C1=NSNC1=O	REAL300033894824	0	45	-1.0	-61.69	367.54	3.76	-57.93
CN1N=C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300033894866	0	44	-1.0	-64.19	367.57	0.42	-63.77
O=C(NCC1CCCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1)C1=NSNC1=O	REAL300033894981	1	45	-1.0	-70.74	377.45	3.15	-67.59
O=C(NCC1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1)C1=NSNC1=O	REAL300033895028	0	43	-1.0	-51.69	362.13	-0.87	-52.56
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NC1=NC=C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)CC2)C(=O)N1	REAL300033895063	0	45	-1.0	-67.38	378.96	0.34	-67.04
NC1=NC=C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300033895063	1	45	-1.0	-67.38	378.96	0.34	-67.04
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NSNC1=O	REAL300033895144	0	41	-1.0	-61.23	343.80	0.18	-61.05
CC1SC(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)CC2)=NC1=O	REAL300033895159	0	44	-1.0	-58.47	375.61	1.41	-57.06
CC1=C([O-])N=C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)CC2)S1	REAL300033895159	1	44	-1.0	-58.47	375.61	1.41	-57.06
CCN1[N-]C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300033895289	0	48	-1.0	-60.28	394.57	2.90	-57.38
CN1[N-]C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300033895305	0	45	-1.0	-59.72	371.36	1.96	-57.76
O=C(CC1=CC(=O)NN1)N1CCCC(CNC(=O)C2=NSNC2=O)CC1	REAL300033895383	0	45	-1.0	-65.63	375.13	0.54	-65.09
O=C(CC1=CC(=O)N[N-]1)N1CCCC(CNC(=O)C2=NSNC2=O)CC1	REAL300033895383	1	45	-1.0	-65.63	375.13	0.54	-65.09
O=C(NCC1CCCN(C(=O)C2=CC=C(O)C(F)=C2)CC1)C1=NSNC1=O	REAL300033895387	0	45	-1.0	-63.33	377.43	3.17	-60.16
O=C(NCC1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1)C1=NSNC1=O	REAL300033895387	1	45	-1.0	-63.33	377.43	3.17	-60.16
CC1=CN=C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)CC2)C(O)=C1	REAL300033895443	0	47	-1.0	-71.14	381.85	4.87	-66.27
CC1=CN=C(C(=O)N2CCCC(CNC(=O)C3=NSNC3=O)CC2)C([O-])=C1	REAL300033895443	1	47	-1.0	-71.14	381.85	4.87	-66.27
O=C(NCC1CCCN(C(=O)C2=CC([O-])=CS2)CC1)C1=NSNC1=O	REAL300033895455	0	42	-1.0	-71.17	354.04	1.68	-69.49
O=C(NCC1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1)C1=NSNC1=O	REAL300033895466	0	45	-1.0	-67.73	381.25	3.80	-63.93
CN1[N-]C(C(=O)NCC2CCCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300033895557	0	45	-1.0	-52.71	371.42	2.07	-50.64
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)CC1)C1=NC(=O)[N-]C(=O)N1	REAL300033895642	0	43	-1.0	-51.48	361.78	-2.70	-54.18
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)CC1)C1=NC(=O)NC(=O)[N-]1	REAL300033895642	1	43	-1.0	-45.92	362.43	-1.94	-47.86
O=C(NCC1CCCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)[N-]O1	REAL300033895743	0	41	-1.0	-54.41	343.40	0.84	-53.57
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)C1=NNC(=O)[N-]C1=O	REAL300033896926	0	40	-1.0	-60.18	362.14	-2.90	-63.08
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)CN1C(=O)[N-]NC1=O	REAL300033897010	0	42	-1.0	-59.94	374.63	-1.24	-61.18
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)C1=CN([O-])C(=O)C=C1	REAL300033897601	0	42	-1.0	-73.99	373.22	3.26	-70.73
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)C1=CC(=O)NC([O-])=C1	REAL300033897715	0	42	-1.0	-55.50	373.68	-1.64	-57.14
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)C1=COC(=O)[N-]1	REAL300033897726	1	38	-1.0	-47.69	344.13	-1.84	-49.53
CC(CC1CN(C(=O)C2=NSNC2=O)C1)[N-]C(=O)C(F)(F)C(F)(F)F	REAL300033897816	1	37	-1.0	-44.38	348.61	1.39	-42.99
CCN1[N-]C(C(=O)NC(C)CC2CN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300033897896	0	45	-1.0	-58.99	395.13	1.82	-57.17
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)CC1=CC(=O)N[N-]1	REAL300033897904	1	42	-1.0	-63.85	369.62	-0.21	-64.06
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)C1=CC=CC(=S)N1[O-]	REAL300033897922	0	42	-1.0	-89.53	381.78	5.29	-84.24
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)CC1SC(=O)[N-]C1=O	REAL300033897931	0	42	-1.0	-55.34	384.49	-1.78	-57.12
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)C1=NN(C)C(=O)[N-]1	REAL300033897947	0	41	-1.0	-62.49	368.04	-0.73	-63.22
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)C1=C[N-]N=CC1=O	REAL300033898036	0	40	-1.0	-41.34	353.18	1.33	-40.01
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)C1=CC(=O)N[N-]1	REAL300033898135	0	39	-1.0	-55.72	350.58	-0.82	-56.54
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300033898140	0	44	-1.0	-57.09	384.74	0.69	-56.40
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)C1=CC=CN([O-])C1=O	REAL300033898171	0	42	-1.0	-54.19	369.11	3.40	-50.79
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)C1=NC(=O)C(C)S1	REAL300033898199	0	41	-1.0	-52.40	375.49	-0.72	-53.12
CC1=C([O-])N=C(C(=O)NC(C)CC2CN(C(=O)C3=NSNC3=O)C2)S1	REAL300033898199	1	41	-1.0	-52.40	375.49	-0.72	-53.12
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)C1=CC(=O)C=C(Cl)N1	REAL300033898213	0	41	-1.0	-52.43	380.73	2.47	-49.96
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300033898213	1	41	-1.0	-52.43	380.73	2.47	-49.96
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)C1=CC(=O)N([O-])C=C1	REAL300033898230	0	42	-1.0	-75.13	373.72	3.14	-71.99
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)C1=CC=CC(=O)N1[O-]	REAL300033898263	0	42	-1.0	-85.63	370.67	4.24	-81.39
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)CC1=C([O-])N=C(N)S1	REAL300033898386	0	43	-1.0	-72.02	391.90	-1.78	-73.80
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)CC1=NC([O-])=CS1	REAL300033898431	0	41	-1.0	-74.92	375.49	-0.92	-75.84
CCC1=NC=C(C(=O)NC(C)CC2CN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300033898449	0	46	-1.0	-44.94	394.08	1.65	-43.29
CCC1=NC=C(C(=O)NC(C)CC2CN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300033898449	1	46	-1.0	-44.94	394.08	1.65	-43.29
CC1=CC(=O)C(C(=O)NC(C)CC2CN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300033898660	0	43	-1.0	-53.99	377.67	2.93	-51.06
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)C1=NNC(=O)[N-]1	REAL300033898675	0	38	-1.0	-59.67	345.20	-2.39	-62.06
CC(CC1CN(C(=O)C2=NSNC2=O)C1)NC(=O)C1=CN=C(C=N[O-])S1	REAL300033898786	0	41	-1.0	-70.55	386.09	0.66	-69.89
CC(CC1CN(C(=O)C2=NC=CC=C2[O-])C1)NC(=O)C1=NSNC1=O	REAL300033899055	1	41	-1.0	-69.83	361.34	2.57	-67.26
CC(CC1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1)NC(=O)C1=NSNC1=O	REAL300033899178	0	40	-1.0	-60.73	360.95	-3.08	-63.81
CC(CC1CN(C(=O)CN2C(=O)[N-]NC2=O)C1)NC(=O)C1=NSNC1=O	REAL300033899338	0	42	-1.0	-62.35	377.62	-1.44	-63.79
CC(CC1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)NC(=O)C1=NSNC1=O	REAL300033900657	1	42	-1.0	-66.49	382.39	4.03	-62.46
CC(CC1CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1)NC(=O)C1=NSNC1=O	REAL300033900682	1	43	-1.0	-57.27	386.73	2.52	-54.75
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CC12CC(NC(=O)C3=CC(=O)N[N-]3)(C1)C1(CN(C(=O)C3=NSNC3=O)C1)O2	REAL300033910164	0	42	-1.0	-50.63	368.24	-2.49	-53.12
CC12CC(NC(=O)C3=NC(=O)N[N-]3)(C1)C1(CN(C(=O)C3=NSNC3=O)C1)O2	REAL300033910220	0	41	-1.0	-51.73	360.74	-3.97	-55.70
CC12CC(NC(=O)C3=NSNC3=O)(C1)C1(CN(C(=O)C3=COC(=O)[N-]3)C1)O2	REAL300033910567	1	41	-1.0	-52.01	363.36	-3.19	-55.20
CC12CC(NC(=O)C3=NSNC3=O)(C1)C1(CN(C(=O)C3=CC(=O)N[N-]3)C1)O2	REAL300033910621	0	42	-1.0	-51.62	368.38	-2.62	-54.24
CC12CC(NC(=O)C3=NSNC3=O)(C1)C1(CN(C(=O)C3=NNC(=O)[N-]3)C1)O2	REAL300033910634	0	41	-1.0	-55.09	363.00	-4.07	-59.16
CC12CC(NC(=O)C3=NSNC3=O)(C1)C1(CN(C(=O)C3=CC(=O)[N-]O3)C1)O2	REAL300033910783	0	41	-1.0	-55.17	363.39	-2.29	-57.46
CC12CC(NC(=O)C3=CC(=O)[N-]O3)(C1)C1(CN(C(=O)C3=NSNC3=O)C1)O2	REAL300033910935	0	41	-1.0	-55.77	362.98	-2.01	-57.78
CC1CCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300033912085	0	40	-1.0	-61.05	350.42	-2.50	-63.55
CC1CCN(C(=O)C2=NSNC2=O)C1CNC(=O)CN1C(=O)[N-]NC1=O	REAL300033912169	0	42	-1.0	-66.54	354.61	-0.42	-66.96
CC1CCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300033912760	0	42	-1.0	-72.99	360.61	3.68	-69.31
CC1CCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300033912874	0	42	-1.0	-51.92	361.96	-1.28	-53.20
CC1CCN(C(=O)C2=NSNC2=O)C1CNC(=O)C1=COC(=O)[N-]1	REAL300033912885	1	38	-1.0	-53.94	324.26	-1.00	-54.94
COC1=NC(C(=O)NCC2C(C)CCN2C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300033913958	0	44	-1.0	-63.65	369.34	-2.03	-65.68
CC1CCN(C(=O)C2=NC=CC=C2[O-])C1CNC(=O)C1=NSNC1=O	REAL300033914214	1	41	-1.0	-70.65	340.86	3.73	-66.92
CC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1CNC(=O)C1=NSNC1=O	REAL300033914327	0	40	-1.0	-61.66	350.31	-2.57	-64.23
CC1CCN(C(=O)CN2C(=O)[N-]NC2=O)C1CNC(=O)C1=NSNC1=O	REAL300033914465	0	42	-1.0	-64.21	367.53	-1.08	-65.29
CC1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1CNC(=O)C1=NSNC1=O	REAL300033915567	1	42	-1.0	-55.28	368.63	4.41	-50.87
CC1CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1CNC(=O)C1=NSNC1=O	REAL300033915590	1	43	-1.0	-49.73	373.52	2.98	-46.75
CCC1=NC=C(C(=O)N2CCC(C)C2CNC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300033915657	1	46	-1.0	-55.54	385.01	1.57	-53.97
CC1CCN(C(=O)C2=COC(=O)[N-]2)C1CNC(=O)C1=NSNC1=O	REAL300033915672	1	38	-1.0	-51.41	324.24	-0.10	-51.51
CC1CCN(C(=O)C[N-]C(=O)C(F)(F)F)C1CNC(=O)C1=NSNC1=O	REAL300033915738	0	41	-1.0	-54.85	371.98	-0.79	-55.64
CC1CCN(C(=O)CC2=C([O-])N=C(N)S2)C1CNC(=O)C1=NSNC1=O	REAL300033915739	0	43	-1.0	-74.26	383.19	-1.59	-75.85
CC1CCN(C(=O)C2=CC=C([O-])C=C2F)C1CNC(=O)C1=NSNC1=O	REAL300033915758	1	42	-1.0	-54.71	357.51	2.74	-51.97
CC1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1CNC(=O)C1=NSNC1=O	REAL300033915764	0	41	-1.0	-55.42	357.87	1.86	-53.56
CC1CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1CNC(=O)C1=NSNC1=O	REAL300033915770	1	43	-1.0	-52.99	372.80	3.05	-49.94
CC1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1CNC(=O)C1=NSNC1=O	REAL300033915773	0	41	-1.0	-53.85	362.46	2.56	-51.29
CC1CCN(C(=O)CN2N=CC(=O)[N-]C2=O)C1CNC(=O)C1=NSNC1=O	REAL300033915785	0	43	-1.0	-67.58	377.88	-2.19	-69.77
CC1=CC=C([O-])C(C(=O)N2CCC(C)C2CNC(=O)C2=NSNC2=O)=N1	REAL300033915839	1	44	-1.0	-71.46	372.34	3.79	-67.67
CC1CCN(C(=O)C2=C[N-]N=CC2=O)C1CNC(=O)C1=NSNC1=O	REAL300033915856	0	40	-1.0	-48.11	343.50	1.26	-46.85
CC1CCN(C(=O)C2=CC=CC(F)=C2[O-])C1CNC(=O)C1=NSNC1=O	REAL300033915863	0	42	-1.0	-62.36	357.83	3.95	-58.41
CC1CCN(C(=O)C2=CC=CC([O-])=C2F)C1CNC(=O)C1=NSNC1=O	REAL300033915938	1	42	-1.0	-63.17	358.14	2.62	-60.55
CC1CCN(C(=O)C2=CC(=O)N[N-]2)C1CNC(=O)C1=NSNC1=O	REAL300033916020	0	39	-1.0	-54.75	338.86	-0.47	-55.22
CC1CCN(C(=O)C(=O)[PH](C)(C)[O-])C1CNC(=O)C1=NSNC1=O	REAL300033916025	0	44	-1.0	-55.95	363.25	1.26	-54.69
CC1CCN(C(=O)CC2=CC(=O)N(C)[N-]2)C1CNC(=O)C1=NSNC1=O	REAL300033916029	0	45	-1.0	-70.78	384.58	1.59	-69.19
CC1CCN(C(=O)C2=CC(F)=CC(F)=C2[O-])C1CNC(=O)C1=NSNC1=O	REAL300033916082	0	42	-1.0	-55.12	363.35	4.15	-50.97
CC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1CNC(=O)C1=NSNC1=O	REAL300033916099	0	42	-1.0	-67.65	358.60	3.22	-64.43
CC1CCN(C(=O)C2=NC(=O)N[N-]2)C1CNC(=O)C1=NSNC1=O	REAL300033916123	0	38	-1.0	-51.72	333.62	-1.24	-52.96
CC1CCN(C(=O)C2=CC=CN([O-])C2=O)C1CNC(=O)C1=NSNC1=O	REAL300033916128	0	42	-1.0	-70.95	360.42	3.26	-67.69
CC1CCN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1CNC(=O)C1=NSNC1=O	REAL300033916219	0	42	-1.0	-70.81	358.31	-1.09	-71.90
CC1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1CNC(=O)C1=NSNC1=O	REAL300033916258	0	42	-1.0	-53.24	363.01	2.80	-50.44
CC1CCN(C(=O)C2=CC(F)=CC=C2[O-])C1CNC(=O)C1=NSNC1=O	REAL300033916263	1	42	-1.0	-54.94	358.32	3.96	-50.98
CC1=CC=NC(C(=O)N2CCC(C)C2CNC(=O)C2=NSNC2=O)=C1[O-]	REAL300033916321	1	44	-1.0	-74.02	366.81	3.57	-70.45
CC1CCN(C(=O)C2=CN=CC([O-])=C2)C1CNC(=O)C1=NSNC1=O	REAL300033916413	1	41	-1.0	-57.67	341.97	0.62	-57.05
CC1CCN(C(=O)C2=CC=CC(=S)N2[O-])C1CNC(=O)C1=NSNC1=O	REAL300033916423	0	42	-1.0	-78.85	367.61	4.88	-73.97
CC1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1CNC(=O)C1=NSNC1=O	REAL300033916520	0	41	-1.0	-48.91	368.94	2.03	-46.88
CC1CCN(C(=O)C2=CC=C([O-])C=C2Cl)C1CNC(=O)C1=NSNC1=O	REAL300033916557	1	42	-1.0	-53.57	365.67	3.19	-50.38
CC1CCN(C(=O)CC2=NC([O-])=CS2)C1CNC(=O)C1=NSNC1=O	REAL300033916564	0	41	-1.0	-77.03	368.37	-0.71	-77.74
CC1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1CNC(=O)C1=NSNC1=O	REAL300033916578	0	44	-1.0	-64.84	383.64	-0.09	-64.93
CC1CCN(C(=O)C2=CC=C(F)C=C2[O-])C1CNC(=O)C1=NSNC1=O	REAL300033916579	0	42	-1.0	-57.51	357.23	4.06	-53.45
CC1CCN(C(=O)CC2SC(=O)[N-]C2=O)C1CNC(=O)C1=NSNC1=O	REAL300033916654	0	42	-1.0	-54.63	375.56	-1.48	-56.11
CC1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1CNC(=O)C1=NSNC1=O	REAL300033916674	0	42	-1.0	-55.85	364.65	2.71	-53.14
CC1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1CNC(=O)C1=NSNC1=O	REAL300033916680	0	42	-1.0	-57.37	367.64	4.41	-52.96
CC1=CC(=O)C(C(=O)N2CCC(C)C2CNC(=O)C2=NSNC2=O)=N[N-]1	REAL300033916703	0	43	-1.0	-59.39	357.64	3.79	-55.60
CC1CCN(C(=O)C2=CC=CC(=O)N2[O-])C1CNC(=O)C1=NSNC1=O	REAL300033916722	0	42	-1.0	-75.90	356.50	3.88	-72.02
CC1CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1CNC(=O)C1=NSNC1=O	REAL300033916743	0	42	-1.0	-52.69	372.48	1.03	-51.66
CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)C1CNC(=O)C1=NSNC1=O	REAL300033916784	0	41	-1.0	-61.99	346.49	0.22	-61.77
CC1CCN(C(=O)C2=CC(C#N)=CC=C2[O-])C1CNC(=O)C1=NSNC1=O	REAL300033916830	0	43	-1.0	-53.03	371.97	4.36	-48.67
CC1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1CNC(=O)C1=NSNC1=O	REAL300033916904	0	42	-1.0	-54.19	365.26	0.75	-53.44
CC1CCN(C(=O)C2=CC=C(F)C(O)=C2)C1CNC(=O)C1=NSNC1=O	REAL300033916947	0	42	-1.0	-57.69	353.13	2.27	-55.42
CC1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1CNC(=O)C1=NSNC1=O	REAL300033916947	1	42	-1.0	-57.69	353.13	2.27	-55.42
CC1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1CNC(=O)C1=NSNC1=O	REAL300033916962	1	42	-1.0	-57.11	367.54	4.51	-52.60
CC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1CNC(=O)C1=NSNC1=O	REAL300033917018	0	40	-1.0	-55.57	348.24	-2.48	-58.05
CC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1CNC(=O)C1=NSNC1=O	REAL300033917018	1	40	-1.0	-55.57	348.24	-2.48	-58.05
CC1CCN(C(=O)C2=CN=C(N)NC2=O)C1CNC(=O)C1=NSNC1=O	REAL300033917061	0	42	-1.0	-56.08	358.44	-0.09	-56.17
CC1CCN(C(=O)C2=CN=C(N)[N-]C2=O)C1CNC(=O)C1=NSNC1=O	REAL300033917061	1	42	-1.0	-56.08	358.44	-0.09	-56.17
CC1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1CNC(=O)C1=NSNC1=O	REAL300033917136	0	41	-1.0	-68.53	366.92	3.65	-64.88
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=NSNC1=O	REAL300033917180	0	38	-1.0	-57.85	333.72	-0.32	-58.17
CC1CCN(C(=O)C2=NC(=O)C(C)S2)C1CNC(=O)C1=NSNC1=O	REAL300033917198	0	41	-1.0	-55.27	365.80	0.18	-55.09
CC1=C([O-])N=C(C(=O)N2CCC(C)C2CNC(=O)C2=NSNC2=O)S1	REAL300033917198	1	41	-1.0	-55.27	365.80	0.18	-55.09
CC1CCN(C(=O)C(=O)C2=CC=C(O)C=C2)C1CNC(=O)C1=NSNC1=O	REAL300033917281	0	44	-1.0	-59.52	375.41	2.63	-56.89
CC1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1CNC(=O)C1=NSNC1=O	REAL300033917281	1	44	-1.0	-59.52	375.41	2.63	-56.89
CC1CCN(C(=O)C2=CN=C(C=N[O-])S2)C1CNC(=O)C1=NSNC1=O	REAL300033917297	0	41	-1.0	-66.54	370.34	0.67	-65.87
CC1CCN(C(=O)C2=CC(=O)C=C(Cl)N2)C1CNC(=O)C1=NSNC1=O	REAL300033917314	0	41	-1.0	-51.52	368.73	3.06	-48.46
CC1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1CNC(=O)C1=NSNC1=O	REAL300033917314	1	41	-1.0	-51.52	368.73	3.06	-48.46
CC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1CNC(=O)C1=NSNC1=O	REAL300033917332	0	42	-1.0	-50.76	354.22	-1.93	-52.69
CCN1[N-]C(C(=O)N2CCC(C)C2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300033917386	0	45	-1.0	-58.64	383.40	2.17	-56.47
CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1CNC(=O)C1=NSNC1=O	REAL300033917400	0	42	-1.0	-57.64	361.59	1.24	-56.40
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CCN1[N-]C(C(=O)N2CC3(CC(NC(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300033945256	0	43	-1.0	-61.87	381.73	1.16	-60.71
CN1[N-]C(C(=O)N2CC3(CC(NC(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300033945277	0	40	-1.0	-60.97	359.92	0.22	-60.75
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O=C(NC1CC2(C1)CN(C(=O)C1=CC=NC(Cl)=C1[O-])C2)C1=NSNC1=O	REAL300033945480	0	39	-1.0	-68.39	361.19	1.81	-66.58
CC1=C(CC(=O)N2CC3(CC(NC(=O)C4=NSNC4=O)C3)C2)C(=O)N(C)[N-]1	REAL300033945495	0	46	-1.0	-64.51	402.98	1.49	-63.02
CC1=CN=C(C(=O)N2CC3(CC(NC(=O)C4=NSNC4=O)C3)C2)C([O-])=C1	REAL300033945531	1	42	-1.0	-69.42	370.45	2.70	-66.72
O=C(NC1CC2(C1)CN(C(=O)C1=CC([O-])=CS1)C2)C1=NSNC1=O	REAL300033945554	0	37	-1.0	-69.70	344.41	0.63	-69.07
O=C(NC1CC2(C1)CN(C(=O)C1=CN([O-])C(=O)C=C1)C2)C1=NSNC1=O	REAL300033945570	0	40	-1.0	-76.20	357.78	2.09	-74.11
CN1[N-]C(C(=O)NC2CC3(C2)CN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300033945735	0	40	-1.0	-59.11	359.78	0.26	-58.85
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CN(C(=O)C1=NSNC1=O)C2	REAL300033945742	0	40	-1.0	-63.11	372.69	-1.56	-64.67
O=C(NC1CC2(C1)CN(C(=O)C1=NSNC1=O)C2)C1=NC(=O)[N-]C(=O)N1	REAL300033945904	0	38	-1.0	-56.91	350.30	-4.53	-61.44
O=C(NC1CC2(C1)CN(C(=O)C1=NSNC1=O)C2)C1=NC(=O)NC(=O)[N-]1	REAL300033945904	1	38	-1.0	-57.06	349.47	-3.69	-60.75
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O=C(NC1CC2(C1)CN(C(=O)C1=NSNC1=O)C2)C1=CN([O-])C(=O)NC1=O	REAL300033946076	0	40	-1.0	-56.53	362.60	0.26	-56.27
CC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033947313	0	40	-1.0	-53.93	331.28	-0.80	-54.73
CC1CCN(C(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)C1=NSNC1=O	REAL300033947397	0	42	-1.0	-56.98	352.20	0.38	-56.60
CC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CCN1C(=O)C1=NSNC1=O	REAL300033947988	0	42	-1.0	-60.68	351.04	4.77	-55.91
CC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)C1=NSNC1=O	REAL300033948102	0	42	-1.0	-50.28	340.39	-0.93	-51.21
CC1CCN(C(=O)C2=COC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033948113	1	38	-1.0	-42.53	314.16	1.40	-41.13
CCN1[N-]C(C(=O)N2CCC(C)N(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300033948283	0	45	-1.0	-55.91	364.74	3.47	-52.44
CC1CCN(C(=O)CC2=CC(=O)N[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033948291	1	42	-1.0	-60.75	345.91	1.58	-59.17
CC1CCN(C(=O)C2=CC=CC(=S)N2[O-])CCN1C(=O)C1=NSNC1=O	REAL300033948309	0	42	-1.0	-71.12	362.89	5.23	-65.89
CC1CCN(C(=O)CC2SC(=O)[N-]C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033948318	0	42	-1.0	-52.68	357.05	-0.45	-53.13
CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033948334	0	41	-1.0	-55.86	337.57	1.45	-54.41
CC1CCN(C(=O)C2=C[N-]N=CC2=O)CCN1C(=O)C1=NSNC1=O	REAL300033948423	0	40	-1.0	-40.96	321.98	1.70	-39.26
CC1CCN(C(=O)C2=CC(=O)N[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033948522	0	39	-1.0	-50.11	319.00	0.84	-49.27
CC1CCN(C(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)C1=NSNC1=O	REAL300033948527	0	44	-1.0	-48.29	355.96	2.68	-45.61
CC1CCN(C(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)C1=NSNC1=O	REAL300033948558	0	42	-1.0	-60.64	345.49	2.36	-58.28
CC1SC(C(=O)N2CCC(C)N(C(=O)C3=NSNC3=O)CC2)=NC1=O	REAL300033948586	0	41	-1.0	-46.68	346.88	1.82	-44.86
CC1=C([O-])N=C(C(=O)N2CCC(C)N(C(=O)C3=NSNC3=O)CC2)S1	REAL300033948586	1	41	-1.0	-46.68	346.88	1.82	-44.86
CC1CCN(C(=O)C2=CC(=O)C=C(Cl)N2)CCN1C(=O)C1=NSNC1=O	REAL300033948600	0	41	-1.0	-46.51	348.43	4.66	-41.85
CC1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033948600	1	41	-1.0	-46.51	348.43	4.66	-41.85
CC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)C1=NSNC1=O	REAL300033948617	0	42	-1.0	-66.46	340.66	4.33	-62.13
CC1CCN(C(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)C1=NSNC1=O	REAL300033948650	0	42	-1.0	-67.64	351.78	4.62	-63.02
CC1CCN(C(=O)CC2=C([O-])N=C(N)S2)CCN1C(=O)C1=NSNC1=O	REAL300033948773	0	43	-1.0	-67.28	366.58	-0.02	-67.30
CC1CCN(C(=O)CC2=NC([O-])=CS2)CCN1C(=O)C1=NSNC1=O	REAL300033948818	0	41	-1.0	-72.01	353.04	0.75	-71.26
CCC1=NC=C(C(=O)N2CCC(C)N(C(=O)C3=NSNC3=O)CC2)C(=O)N1	REAL300033948836	0	46	-1.0	-53.20	374.32	2.91	-50.29
CCC1=NC=C(C(=O)N2CCC(C)N(C(=O)C3=NSNC3=O)CC2)C(=O)[N-]1	REAL300033948836	1	46	-1.0	-53.20	374.32	2.91	-50.29
CC1=CC(=O)C(C(=O)N2CCC(C)N(C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300033949047	0	43	-1.0	-55.47	347.42	4.65	-50.82
CC1CCN(C(=O)C2=NNC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033949062	0	38	-1.0	-54.70	313.80	-0.65	-55.35
CC1CCN(C(=O)C2=CN=C(C=N[O-])S2)CCN1C(=O)C1=NSNC1=O	REAL300033949173	0	41	-1.0	-62.77	349.57	1.42	-61.35
COC1=NC(C(=O)N2CCC(C)N(C(=O)C3=NSNC3=O)CC2)=CC(=O)[N-]1	REAL300033949186	0	44	-1.0	-53.75	352.66	0.06	-53.69
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300033949442	1	41	-1.0	-72.36	330.74	4.63	-67.73
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300033949555	0	40	-1.0	-64.85	331.37	-1.29	-66.14
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300033949693	0	42	-1.0	-53.48	349.66	0.64	-52.84
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300033950795	1	42	-1.0	-57.16	349.53	5.93	-51.23
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300033950818	1	43	-1.0	-46.20	357.63	4.25	-41.95
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CCC2C)C(=O)[N-]1	REAL300033950885	1	46	-1.0	-47.96	362.23	2.88	-45.08
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=COC(=O)[N-]1	REAL300033950900	1	38	-1.0	-49.73	314.84	1.65	-48.08
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300033950966	0	41	-1.0	-47.95	354.64	0.91	-47.04
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300033950967	0	43	-1.0	-67.42	365.83	0.14	-67.28
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C=C1F	REAL300033950986	1	42	-1.0	-53.54	339.44	4.18	-49.36
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300033950992	0	41	-1.0	-51.62	338.83	3.71	-47.91
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300033950998	1	43	-1.0	-68.75	355.60	4.31	-64.44
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300033951001	0	41	-1.0	-53.81	344.77	4.02	-49.79
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300033951013	0	43	-1.0	-59.16	360.52	-0.49	-59.65
CC1=CC=C([O-])C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CCC2C)=N1	REAL300033951067	1	44	-1.0	-74.50	351.54	5.06	-69.44
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300033951084	0	40	-1.0	-42.65	320.70	2.59	-40.06
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300033951091	0	42	-1.0	-64.99	338.26	5.50	-59.49
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC([O-])=C1F	REAL300033951166	1	42	-1.0	-63.87	338.57	4.19	-59.68
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300033951248	0	39	-1.0	-49.16	319.29	1.43	-47.73
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300033951253	0	44	-1.0	-48.37	356.01	2.34	-46.03
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300033951327	0	42	-1.0	-73.37	341.39	4.42	-68.95
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NNC(=O)[N-]1	REAL300033951351	0	38	-1.0	-52.61	313.60	-0.05	-52.66
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300033951356	0	42	-1.0	-61.24	338.28	4.33	-56.91
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(F)=CC=C1O	REAL300033951491	0	42	-1.0	-56.80	339.22	5.48	-51.32
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300033951491	1	42	-1.0	-56.80	339.22	5.48	-51.32
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CCC2C)=C1O	REAL300033951549	0	44	-1.0	-72.90	352.15	5.24	-67.66
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CCC2C)=C1[O-]	REAL300033951549	1	44	-1.0	-72.90	352.15	5.24	-67.66
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=CC(O)=C1	REAL300033951641	0	41	-1.0	-66.37	331.73	2.00	-64.37
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=CC([O-])=C1	REAL300033951641	1	41	-1.0	-66.37	331.73	2.00	-64.37
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300033951651	0	42	-1.0	-81.06	348.74	6.42	-74.64
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300033951748	0	41	-1.0	-47.20	349.47	4.07	-43.13
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(O)C=C1Cl	REAL300033951785	0	42	-1.0	-52.52	347.66	4.61	-47.91
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300033951785	1	42	-1.0	-52.52	347.66	4.61	-47.91
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1=NC([O-])=CS1	REAL300033951792	0	41	-1.0	-69.04	350.50	1.01	-68.03
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300033951806	0	44	-1.0	-68.98	364.71	1.24	-67.74
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300033951882	0	42	-1.0	-54.29	355.86	-0.09	-54.38
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300033951902	0	42	-1.0	-55.16	345.53	4.25	-50.91
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300033951908	0	42	-1.0	-59.76	348.07	5.97	-53.79
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CCC2C)=N[N-]1	REAL300033951931	0	43	-1.0	-60.73	348.56	4.59	-56.14
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300033951950	0	42	-1.0	-55.84	341.60	4.70	-51.14
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300033951971	0	42	-1.0	-42.43	350.99	2.23	-40.20
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300033952012	0	41	-1.0	-62.88	333.60	1.16	-61.72
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300033952058	0	43	-1.0	-53.90	353.65	5.83	-48.07
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300033952132	0	42	-1.0	-51.86	343.13	2.05	-49.81
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(F)C(O)=C1	REAL300033952175	0	42	-1.0	-47.80	341.65	3.93	-43.87
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300033952175	1	42	-1.0	-47.80	341.65	3.93	-43.87
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(Cl)C=C1O	REAL300033952190	0	42	-1.0	-59.32	349.48	5.95	-53.37
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300033952190	1	42	-1.0	-59.32	349.48	5.95	-53.37
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300033952246	0	40	-1.0	-50.48	332.93	-1.35	-51.83
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300033952246	1	40	-1.0	-47.00	332.40	-0.53	-47.53
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300033952289	1	42	-1.0	-48.50	335.65	1.22	-47.28
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(F)C([O-])=C1F	REAL300033952319	0	42	-1.0	-63.47	345.49	4.23	-59.24
COC1=NC(C(=O)N2CCN(C(=O)C3=NSNC3=O)CCC2C)=CC(=O)[N-]1	REAL300033952359	0	44	-1.0	-52.90	351.49	0.05	-52.85
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300033952364	0	41	-1.0	-69.81	348.02	5.07	-64.74
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300033952395	0	42	-1.0	-45.14	351.45	4.42	-40.72
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=NC=C1[O-]	REAL300033952403	0	41	-1.0	-59.66	327.89	3.60	-56.06
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300033952408	0	38	-1.0	-57.55	313.76	1.12	-56.43
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CCC2C)S1	REAL300033952426	1	41	-1.0	-49.47	346.44	1.83	-47.64
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300033952509	1	44	-1.0	-59.10	356.67	4.16	-54.94
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300033952525	0	41	-1.0	-64.56	350.49	2.13	-62.43
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300033952542	1	41	-1.0	-52.17	349.84	4.53	-47.64
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300033952560	0	42	-1.0	-48.91	340.54	-0.27	-49.18
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CCC2C)=CC1=O	REAL300033952614	0	45	-1.0	-52.03	363.84	4.08	-47.95
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300033952628	0	42	-1.0	-51.36	342.92	3.11	-48.25
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300033952637	0	42	-1.0	-59.40	358.72	0.64	-58.76
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)CC1=CC(=O)N[N-]1	REAL300033952739	1	42	-1.0	-57.10	344.65	1.72	-55.38
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300033952744	1	42	-1.0	-54.41	341.61	3.97	-50.44
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300033952780	0	42	-1.0	-55.00	348.00	4.24	-50.76
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300033952784	0	41	-1.0	-57.58	343.27	4.08	-53.50
CC1=C(CC(=O)N2CCN(C(=O)C3=NSNC3=O)CCC2C)C(=O)N(C)[N-]1	REAL300033952798	0	48	-1.0	-56.36	387.46	4.14	-52.22
CC1=CN=C(C(=O)N2CCN(C(=O)C3=NSNC3=O)CCC2C)C([O-])=C1	REAL300033952833	1	44	-1.0	-74.06	352.25	5.28	-68.78
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CC([O-])=CS1	REAL300033952852	0	39	-1.0	-60.46	324.24	2.99	-57.47
CC1CCN(C(=O)C2=NSNC2=O)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300033952865	0	42	-1.0	-77.25	342.39	4.43	-72.82
CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033953014	0	42	-1.0	-53.35	342.67	2.53	-50.82
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033953021	0	42	-1.0	-54.36	363.48	0.69	-53.67
CC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=NSNC1=O	REAL300033953170	0	40	-1.0	-45.18	331.78	-1.04	-46.22
CC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=NSNC1=O	REAL300033953170	1	40	-1.0	-43.83	332.31	-0.27	-44.10
CC1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)CCN1C(=O)C1=NSNC1=O	REAL300033953309	0	44	-1.0	-57.75	368.30	1.37	-56.38
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NSNC1=O	REAL300033953316	0	38	-1.0	-52.23	314.14	0.74	-51.49
CC1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CCN1C(=O)C1=NSNC1=O	REAL300033953327	0	42	-1.0	-52.68	341.53	1.59	-51.09
CN(C(=O)C1=NSNC1=O)C1CC2CCC(C1)N2C(=O)C1=COC(=O)[N-]1	REAL300033954079	1	42	-1.0	-51.08	344.28	1.36	-49.72
CN(C(=O)C1=NSNC1=O)C1CC2CCC(C1)N2C(=O)CC1=CC(=O)N[N-]1	REAL300033954157	1	46	-1.0	-61.50	350.35	1.17	-60.33
CN(C(=O)C1=NSNC1=O)C1CC2CCC(C1)N2C(=O)C1=NN(C)C(=O)[N-]1	REAL300033954166	0	45	-1.0	-66.00	343.50	0.92	-65.08
CN(C(=O)C1=NSNC1=O)C1CC2CCC(C1)N2C(=O)C1=C[N-]N=CC1=O	REAL300033954198	0	44	-1.0	-60.98	340.00	2.27	-58.71
CN(C(=O)C1=NSNC1=O)C1CC2CCC(C1)N2C(=O)C1=CC(=O)N[N-]1	REAL300033954232	0	43	-1.0	-60.45	325.98	0.75	-59.70
CN(C(=O)C1=NSNC1=O)C1CC2CCC(C1)N2C(=O)C1=NC(=O)N[N-]1	REAL300033954403	0	42	-1.0	-63.09	320.70	0.01	-63.08
CN(C(=O)C1=NC=CC=C1[O-])C1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300033954697	1	45	-1.0	-56.55	337.94	4.47	-52.08
CN(C(=O)C1=COC(=O)[N-]1)C1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300033955086	1	42	-1.0	-47.54	320.97	0.99	-46.55
CN(C(=O)C1=C[N-]N=CC1=O)C1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300033955153	0	44	-1.0	-62.70	331.36	2.73	-59.97
CN(C(=O)C1=CC(=O)N[N-]1)C1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300033955202	0	43	-1.0	-51.51	349.02	1.51	-50.00
CN(C(=O)C1=NC(=O)N[N-]1)C1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300033955229	0	42	-1.0	-50.92	343.79	0.89	-50.03
CN(C(=O)C1=CN=CC([O-])=C1)C1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300033955324	1	45	-1.0	-55.83	338.29	2.03	-53.80
CN(C(=O)C1=NN(C)C(=O)[N-]1)C1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300033955413	0	45	-1.0	-57.79	366.49	1.67	-56.12
CN(C(=O)C1=CC=NC=C1[O-])C1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300033955522	0	45	-1.0	-74.56	337.94	3.27	-71.29
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300033955525	0	42	-1.0	-54.21	320.82	1.00	-53.21
CN(C(=O)C1=CC(=O)N(C)[N-]1)C1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300033955603	0	46	-1.0	-54.09	371.85	3.22	-50.87
CN(C(=O)CC1=CC(=O)N[N-]1)C1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300033955639	1	46	-1.0	-71.72	349.55	1.23	-70.49
CN(C(=O)C1=CC([O-])=CS1)C1CC2CCC(C1)N2C(=O)C1=NSNC1=O	REAL300033955675	0	43	-1.0	-61.46	332.81	2.59	-58.87
CN(C(=O)C1=NSNC1=O)C1CC2CCC(C1)N2C(=O)C1=CC(=O)N(C)[N-]1	REAL300033955731	0	46	-1.0	-62.71	348.71	2.46	-60.25
CN(C(=O)C1=NSNC1=O)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300033955840	0	42	-1.0	-55.04	344.45	1.60	-53.44
C=CCC1(NC(=O)C2=COC(=O)[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300033956469	1	42	-1.0	-49.78	353.05	-0.37	-50.15
C=CCC1(NC(=O)CC2=CC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300033956539	1	46	-1.0	-57.13	378.56	1.24	-55.89
C=CCC1(NC(=O)C2=NN(C)C(=O)[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300033956545	0	45	-1.0	-63.04	374.72	0.75	-62.29
C=CCC1(NC(=O)C2=C[N-]N=CC2=O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300033956574	0	44	-1.0	-46.06	361.63	2.72	-43.34
C=CCC1(NC(=O)C2=CC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300033956605	0	43	-1.0	-56.01	357.40	0.54	-55.47
C=CCC1(NC(=O)C2=NC(=O)N[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300033956751	0	42	-1.0	-53.04	352.95	-0.61	-53.65
C=CCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300033957034	1	45	-1.0	-61.20	369.80	4.13	-57.07
C=CCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300033957509	1	42	-1.0	-45.95	352.89	0.63	-45.32
C=CCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300033957580	0	44	-1.0	-47.42	365.67	2.07	-45.35
C=CCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300033957639	0	43	-1.0	-51.29	357.00	0.46	-50.83
C=CCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300033957673	0	42	-1.0	-46.01	351.50	-0.17	-46.18
C=CCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300033957781	1	45	-1.0	-56.84	369.82	1.46	-55.38
C=CCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1	REAL300033957889	0	45	-1.0	-56.19	375.01	0.73	-55.46
C=CCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC=NC=C2[O-])CC1	REAL300033958019	0	45	-1.0	-63.35	372.26	1.82	-61.53
C=CCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300033958022	0	42	-1.0	-53.23	352.14	0.49	-52.74
C=CCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1	REAL300033958109	0	46	-1.0	-52.03	380.38	2.24	-49.79
C=CCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)CC2=CC(=O)N[N-]2)CC1	REAL300033958155	1	46	-1.0	-62.65	380.90	0.82	-61.83
C=CCC1(NC(=O)C2=NSNC2=O)CCN(C(=O)C2=CC([O-])=CS2)CC1	REAL300033958199	0	43	-1.0	-60.20	368.55	2.49	-57.71
C=CCC1(NC(=O)C2=CC(=O)N(C)[N-]2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300033958252	0	46	-1.0	-56.96	381.09	2.38	-54.58
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NSNC2=O)CC1	REAL300033958346	0	42	-1.0	-54.56	352.05	1.03	-53.53
O=C(NCCC[C@H]1CCCN1C(=O)C1=NSNC1=O)C1=NNC(=O)[N-]C1=O	REAL300033959075	0	43	-1.0	-62.63	375.32	-2.32	-64.95
O=C(CN1C(=O)[N-]NC1=O)NCCC[C@H]1CCCN1C(=O)C1=NSNC1=O	REAL300033959124	0	45	-1.0	-65.50	389.44	-0.65	-66.15
O=C(NCCC[C@H]1CCCN1C(=O)C1=NSNC1=O)C1=CN([O-])C(=O)C=C1	REAL300033959470	0	45	-1.0	-75.66	386.41	3.82	-71.84
O=C(NCCC[C@H]1CCCN1C(=O)C1=NSNC1=O)C1=CC(=O)NC([O-])=C1	REAL300033959545	0	45	-1.0	-56.23	386.87	-1.08	-57.31
O=C(NCCC[C@H]1CCCN1C(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300033959556	1	41	-1.0	-56.11	358.94	-1.23	-57.34
CCN1[N-]C(C(=O)NCCC[C@H]2CCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300033959661	0	48	-1.0	-60.83	408.31	2.39	-58.44
O=C(CC1=CC(=O)N[N-]1)NCCC[C@H]1CCCN1C(=O)C1=NSNC1=O	REAL300033959668	1	45	-1.0	-67.97	384.41	0.38	-67.59
CN1N=C(C(=O)NCCC[C@H]2CCCN2C(=O)C2=NSNC2=O)[N-]C1=O	REAL300033959687	0	44	-1.0	-63.64	381.01	-0.05	-63.69
O=C(NCCC[C@H]1CCCN1C(=O)C1=NSNC1=O)C1=C[N-]N=CC1=O	REAL300033959739	0	43	-1.0	-49.79	367.99	1.90	-47.89
O=C(NCCC[C@H]1CCCN1C(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300033959797	0	42	-1.0	-57.12	363.77	-0.26	-57.38
C[PH](C)([O-])C(=O)C(=O)NCCC[C@H]1CCCN1C(=O)C1=NSNC1=O	REAL300033959802	0	47	-1.0	-57.23	396.74	1.06	-56.17
O=C(NCCC[C@H]1CCCN1C(=O)C1=NSNC1=O)C1=CC=CN([O-])C1=O	REAL300033959822	0	45	-1.0	-66.26	382.64	3.99	-62.27
CC1SC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=NSNC2=O)=NC1=O	REAL300033959841	0	44	-1.0	-61.73	390.53	-0.14	-61.87
CC1=C([O-])N=C(C(=O)NCCC[C@H]2CCCN2C(=O)C2=NSNC2=O)S1	REAL300033959841	1	44	-1.0	-61.73	390.53	-0.14	-61.87
O=C(NCCC[C@H]1CCCN1C(=O)C1=NSNC1=O)C1=CC(=O)N([O-])C=C1	REAL300033959856	0	45	-1.0	-75.70	386.78	3.80	-71.90
O=C(NCCC[C@H]1CCCN1C(=O)C1=NSNC1=O)C1=CC=CC(=O)N1[O-]	REAL300033959878	0	45	-1.0	-91.05	383.52	4.82	-86.23
O=C(CC1=NC([O-])=CS1)NCCC[C@H]1CCCN1C(=O)C1=NSNC1=O	REAL300033959980	0	44	-1.0	-77.66	390.26	-0.34	-78.00
CC1=CC(=O)C(C(=O)NCCC[C@H]2CCCN2C(=O)C2=NSNC2=O)=N[N-]1	REAL300033960119	0	46	-1.0	-61.58	392.48	3.54	-58.04
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CN1[N-]C(C(=O)NCCC[C@H]2CCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300033962521	0	45	-1.0	-59.95	386.58	1.46	-58.49
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CC1(C)CC(NC(=O)CN2C(=O)[N-]NC2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033963505	0	45	-1.0	-48.64	379.11	-0.78	-49.42
CC1(C)CC(NC(=O)C2=CN([O-])C(=O)C=C2)CN(C(=O)C2=NSNC2=O)C1	REAL300033963851	0	45	-1.0	-66.90	376.38	3.76	-63.14
CC1(C)CC(NC(=O)C2=CC(=O)NC([O-])=C2)CN(C(=O)C2=NSNC2=O)C1	REAL300033963926	0	45	-1.0	-44.88	376.58	-1.21	-46.09
CC1(C)CC(NC(=O)C2=COC(=O)[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300033963937	1	41	-1.0	-46.33	348.91	-1.31	-47.64
CCN1[N-]C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC(C)(C)C2)=CC1=O	REAL300033964042	0	48	-1.0	-49.68	398.29	2.32	-47.36
CC1(C)CC(NC(=O)CC2=CC(=O)N[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300033964049	1	45	-1.0	-53.59	374.14	0.25	-53.34
CN1N=C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC(C)(C)C2)[N-]C1=O	REAL300033964068	0	44	-1.0	-52.66	371.06	-0.13	-52.79
CC1(C)CC(NC(=O)C2=C[N-]N=CC2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033964120	0	43	-1.0	-38.37	357.97	1.84	-36.53
CC1(C)CC(NC(=O)C2=CC(=O)N[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300033964178	0	42	-1.0	-46.56	353.74	-0.33	-46.89
CC1(C)CC(NC(=O)C(=O)[PH](C)(C)[O-])CN(C(=O)C2=NSNC2=O)C1	REAL300033964183	0	47	-1.0	-42.43	387.64	1.13	-41.30
CC1(C)CC(NC(=O)CCC2=NC(=O)NN2)CN(C(=O)C2=NSNC2=O)C1	REAL300033964201	0	47	-1.0	-60.19	389.65	-0.68	-60.87
CC1(C)CC(NC(=O)CCC2=NC(=O)[N-]N2)CN(C(=O)C2=NSNC2=O)C1	REAL300033964201	1	47	-1.0	-60.19	389.65	-0.68	-60.87
CC1(C)CC(NC(=O)C2=CC=CN([O-])C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033964203	0	45	-1.0	-55.40	373.71	3.87	-51.53
CC1SC(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC(C)(C)C2)=NC1=O	REAL300033964222	0	44	-1.0	-52.18	380.51	-0.22	-52.40
CC1=C([O-])N=C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC(C)(C)C2)S1	REAL300033964222	1	44	-1.0	-52.18	380.51	-0.22	-52.40
CC1(C)CC(NC(=O)C2=CC(=O)N([O-])C=C2)CN(C(=O)C2=NSNC2=O)C1	REAL300033964237	0	45	-1.0	-67.42	376.74	3.72	-63.70
CC1(C)CC(NC(=O)C2=CC=CC(=O)N2[O-])CN(C(=O)C2=NSNC2=O)C1	REAL300033964259	0	45	-1.0	-78.13	373.83	4.74	-73.39
CC1(C)CC(NC(=O)CC2=NC([O-])=CS2)CN(C(=O)C2=NSNC2=O)C1	REAL300033964361	0	44	-1.0	-66.46	379.99	-0.47	-66.93
CC1=CC(=O)C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC(C)(C)C2)=N[N-]1	REAL300033964500	0	46	-1.0	-44.76	382.19	3.41	-41.35
CC1(C)CC(NC(=O)C2=NNC(=O)[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300033964510	0	41	-1.0	-47.46	347.96	-1.85	-49.31
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=NC=CC=C2O)C1	REAL300033964845	0	44	-1.0	-72.53	365.65	3.35	-69.18
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300033964845	1	44	-1.0	-72.53	365.65	3.35	-69.18
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300033964934	0	43	-1.0	-68.70	366.25	-2.69	-71.39
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300033965021	0	45	-1.0	-65.55	382.24	-0.97	-66.52
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300033965817	1	41	-1.0	-65.97	348.40	-0.23	-66.20
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300033965879	1	45	-1.0	-69.49	381.22	2.75	-66.74
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300033965882	0	44	-1.0	-60.13	375.74	2.10	-58.03
CC1=CC=C([O-])C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC(C)(C)C2)=N1	REAL300033965929	1	47	-1.0	-81.61	389.77	3.37	-78.24
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300033965939	0	43	-1.0	-68.09	367.04	1.22	-66.87
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300033965946	0	45	-1.0	-81.09	378.56	3.40	-77.69
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300033966001	1	45	-1.0	-80.20	379.97	2.71	-77.49
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300033966066	0	42	-1.0	-63.23	353.45	-0.30	-63.53
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300033966071	0	47	-1.0	-63.14	388.06	1.06	-62.08
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300033966117	0	45	-1.0	-80.34	377.02	3.15	-77.19
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300033966132	0	41	-1.0	-64.76	348.19	-0.95	-65.71
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300033966136	0	45	-1.0	-76.00	382.89	3.30	-72.70
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300033966233	0	45	-1.0	-72.01	375.78	3.97	-68.04
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300033966233	1	45	-1.0	-72.01	375.78	3.97	-68.04
CC1=CC=NC(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC(C)(C)C2)=C1O	REAL300033966274	0	47	-1.0	-72.37	385.92	4.01	-68.36
CC1=CC=NC(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC(C)(C)C2)=C1[O-]	REAL300033966274	1	47	-1.0	-72.37	385.92	4.01	-68.36
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=CC(O)=C2)C1	REAL300033966329	0	44	-1.0	-71.61	368.79	0.77	-70.84
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300033966329	1	44	-1.0	-71.61	368.79	0.77	-70.84
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300033966408	0	44	-1.0	-72.95	383.04	-0.64	-73.59
CC1=CC(=O)C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC(C)(C)C2)=N[N-]1	REAL300033966504	0	46	-1.0	-67.92	383.40	3.18	-64.74
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300033966519	0	45	-1.0	-73.16	375.93	3.43	-69.73
CN1N=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC(C)(C)C2)[N-]C1=O	REAL300033966561	0	44	-1.0	-68.70	370.81	-0.12	-68.82
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300033966676	0	45	-1.0	-76.77	379.60	2.68	-74.09
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300033966676	1	45	-1.0	-76.77	379.60	2.68	-74.09
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300033966723	0	43	-1.0	-58.15	366.77	-2.73	-60.88
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300033966723	1	43	-1.0	-56.01	367.59	-2.04	-58.05
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300033966758	1	45	-1.0	-64.01	373.98	-0.26	-64.27
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300033966834	0	44	-1.0	-77.12	368.39	1.07	-76.05
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300033966839	0	41	-1.0	-70.79	348.08	-0.35	-71.14
CC1=C([O-])N=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC(C)(C)C2)S1	REAL300033966854	1	44	-1.0	-71.25	380.44	0.48	-70.77
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300033966946	0	45	-1.0	-64.99	383.69	-1.57	-66.56
CCN1[N-]C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC(C)(C)C2)=CC1=O	REAL300033966984	0	48	-1.0	-65.12	397.62	2.31	-62.81
CN1[N-]C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC(C)(C)C2)=CC1=O	REAL300033967000	0	45	-1.0	-65.36	376.21	1.41	-63.95
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300033967078	1	45	-1.0	-66.27	377.19	0.07	-66.20
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300033967082	1	45	-1.0	-70.39	379.58	2.71	-67.68
CC1=CN=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC(C)(C)C2)C([O-])=C1	REAL300033967138	1	47	-1.0	-74.12	387.04	3.97	-70.15
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300033967150	0	42	-1.0	-73.62	362.89	1.51	-72.11
CC1(C)CC(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300033967161	0	45	-1.0	-84.09	383.20	3.32	-80.77
CN1[N-]C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC(C)(C)C2)=CC1=O	REAL300033967252	0	45	-1.0	-48.85	376.48	1.38	-47.47
CC1(C)CC(NC(=O)C2=NC(=O)[N-]C(=O)N2)CN(C(=O)C2=NSNC2=O)C1	REAL300033967337	0	43	-1.0	-40.97	367.24	-2.68	-43.65
CC1(C)CC(NC(=O)C2=NC(=O)NC(=O)[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300033967337	1	43	-1.0	-40.97	367.24	-2.68	-43.65
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NSNC2=O)C1	REAL300033967438	0	41	-1.0	-49.76	348.22	0.10	-49.66
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O=C(NC1CCC2(CCN(C(=O)C3=NSNC3=O)C2)CC1)C1=COC(=O)[N-]1	REAL300033967799	1	45	-1.0	-52.76	373.43	-0.56	-53.32
O=C(NC1CCC2(CCN(C(=O)C3=NSNC3=O)C2)CC1)C1=CC(=O)N[N-]1	REAL300033967881	0	46	-1.0	-56.54	380.02	0.31	-56.23
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O=C(NC1CCC2(CCN(C(=O)C3=COC(=O)[N-]3)C2)CC1)C1=NSNC1=O	REAL300033968305	1	45	-1.0	-53.17	374.70	0.24	-52.93
O=C(NC1CCC2(CCN(C(=O)C3=CC(=O)N[N-]3)C2)CC1)C1=NSNC1=O	REAL300033968359	0	46	-1.0	-53.21	378.07	0.34	-52.87
O=C(NC1CCC2(CCN(C(=O)C3=NC(=O)N[N-]3)C2)CC1)C1=NSNC1=O	REAL300033968372	0	45	-1.0	-53.62	374.79	-0.57	-54.19
O=C(NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=NSNC1=O	REAL300033968521	0	45	-1.0	-57.21	373.06	0.48	-56.73
O=C(NC1CCC2(CCN(C(=O)C3=NSNC3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300033968683	0	45	-1.0	-58.28	373.00	0.93	-57.35
C=CCC1(NC(=O)C2=NNC(=O)[N-]C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033969759	0	38	-1.0	-66.33	350.89	-3.53	-69.86
C=CCC1(NC(=O)CN2C(=O)[N-]NC2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033969834	0	40	-1.0	-70.07	364.71	-1.84	-71.91
C=CCC1(NC(=O)C2=CN([O-])C(=O)C=C2)CN(C(=O)C2=NSNC2=O)C1	REAL300033970358	0	40	-1.0	-77.91	361.61	2.63	-75.28
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C=CCC1(NC(=O)C2=COC(=O)[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300033970469	1	36	-1.0	-57.55	334.14	-2.41	-59.96
C=CCC1(NC(=O)C2=CC(=O)N(CC)[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300033970623	0	43	-1.0	-64.43	383.88	1.23	-63.20
C=CCC1(NC(=O)CC2=CC(=O)N[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300033970630	1	40	-1.0	-69.52	359.64	-0.80	-70.32
C=CCC1(NC(=O)C2=CC=CC(=S)N2[O-])CN(C(=O)C2=NSNC2=O)C1	REAL300033970645	0	40	-1.0	-64.44	369.07	3.27	-61.17
C=CCC1(NC(=O)CC2SC(=O)[N-]C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033970654	0	40	-1.0	-58.48	372.76	-2.29	-60.77
C=CCC1(NC(=O)C2=NN(C)C(=O)[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300033970667	0	39	-1.0	-67.76	356.58	-1.18	-68.94
C=CCC1(NC(=O)C2=C[N-]N=CC2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033970748	0	38	-1.0	-51.29	343.62	0.77	-50.52
C=CCC1(NC(=O)C2=CC(=O)N[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300033970840	0	37	-1.0	-59.72	338.97	-1.44	-61.16
C=CCC1(NC(=O)C(=O)[PH](C)(C)[O-])CN(C(=O)C2=NSNC2=O)C1	REAL300033970844	0	42	-1.0	-48.90	373.08	0.11	-48.79
C=CCC1(NC(=O)CCC2=NNC(=O)[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300033970870	0	42	-1.0	-63.96	375.34	-1.19	-65.15
C=CCC1(NC(=O)C2=CC=CN([O-])C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033970874	0	40	-1.0	-64.88	359.18	2.74	-62.14
C=CCC1(NC(=O)C2=NC(=O)C(C)S2)CN(C(=O)C2=NSNC2=O)C1	REAL300033970900	0	39	-1.0	-62.98	365.74	-1.32	-64.30
C=CCC1(NC(=O)C2=NC([O-])=C(C)S2)CN(C(=O)C2=NSNC2=O)C1	REAL300033970900	1	39	-1.0	-62.98	365.74	-1.32	-64.30
C=CCC1(NC(=O)C2=CC(=O)C=C(Cl)N2)CN(C(=O)C2=NSNC2=O)C1	REAL300033970912	0	39	-1.0	-57.19	369.48	1.90	-55.29
C=CCC1(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300033970912	1	39	-1.0	-57.19	369.48	1.90	-55.29
C=CCC1(NC(=O)C2=CC(=O)N([O-])C=C2)CN(C(=O)C2=NSNC2=O)C1	REAL300033970926	0	40	-1.0	-78.16	361.99	2.61	-75.55
C=CCC1(NC(=O)C2=CC=CC(=O)N2[O-])CN(C(=O)C2=NSNC2=O)C1	REAL300033970957	0	40	-1.0	-62.35	357.96	2.53	-59.82
C=CCC1(NC(=O)C[N-]C(=O)C(F)(F)F)CN(C(=O)C2=NSNC2=O)C1	REAL300033971067	0	39	-1.0	-60.41	369.45	-1.51	-61.92
C=CCC1(NC(=O)CC2=C([O-])N=C(N)S2)CN(C(=O)C2=NSNC2=O)C1	REAL300033971068	0	41	-1.0	-82.94	380.38	-2.31	-85.25
C=CCC1(NC(=O)CC2=NC([O-])=CS2)CN(C(=O)C2=NSNC2=O)C1	REAL300033971108	0	39	-1.0	-82.09	365.56	-1.44	-83.53
C=CCC1(NC(=O)C2=CN=C(CC)[N-]C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033971122	1	44	-1.0	-52.47	384.30	0.85	-51.62
C=CCC1(NC(=O)CN2N=CC(=O)[N-]C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033971131	0	41	-1.0	-73.45	375.06	-2.87	-76.32
C=CCC1(NC(=O)C2=N[N-]C(C)=CC2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300033971322	0	41	-1.0	-64.13	368.09	2.34	-61.79
C=CCC1(NC(=O)C2=NNC(=O)[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300033971335	0	36	-1.0	-63.73	333.46	-2.87	-66.60
C=CCC1(NC(=O)C2=CN=C(C=N[O-])S2)CN(C(=O)C2=NSNC2=O)C1	REAL300033971428	0	39	-1.0	-71.69	374.35	0.16	-71.53
C=CCC1(NC(=O)C2=CC(=O)[N-]C(OC)=N2)CN(C(=O)C2=NSNC2=O)C1	REAL300033971442	0	42	-1.0	-65.46	379.70	-3.42	-68.88
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300033971695	1	39	-1.0	-68.21	351.14	2.09	-66.12
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300033971822	0	38	-1.0	-59.32	350.74	-3.58	-62.90
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300033971994	0	40	-1.0	-62.09	367.09	-1.98	-64.07
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300033973415	1	40	-1.0	-64.62	371.42	3.65	-60.97
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300033973440	1	41	-1.0	-47.99	375.44	1.90	-46.09
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=C(CC)[N-]C2=O)C1	REAL300033973528	1	44	-1.0	-60.40	392.83	0.54	-59.86
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300033973547	1	36	-1.0	-49.51	334.65	-2.09	-51.60
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300033973617	0	39	-1.0	-53.24	371.15	-1.51	-54.75
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300033973618	0	41	-1.0	-73.68	382.71	-2.43	-76.11
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300033973628	0	40	-1.0	-50.99	374.67	1.88	-49.11
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300033973643	1	40	-1.0	-57.91	361.88	1.62	-56.29
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300033973649	0	39	-1.0	-51.59	359.48	1.05	-50.54
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300033973656	1	41	-1.0	-64.31	374.73	1.97	-62.34
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300033973659	0	39	-1.0	-61.52	364.50	1.81	-59.71
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300033973677	0	41	-1.0	-66.00	377.68	-3.04	-69.04
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=NC(C)=CC=C2[O-])C1	REAL300033973740	1	42	-1.0	-68.87	372.75	2.66	-66.21
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300033973742	1	42	-1.0	-62.01	377.30	-1.81	-63.82
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300033973758	0	38	-1.0	-56.89	342.74	1.25	-55.64
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300033973767	0	40	-1.0	-75.51	361.61	3.05	-72.46
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300033973863	1	40	-1.0	-71.51	361.83	1.63	-69.88
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300033973971	0	37	-1.0	-52.48	339.48	-1.50	-53.98
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300033973977	0	42	-1.0	-54.10	373.30	-0.08	-54.18
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)CC2=CC(=O)N(C)[N-]2)C1	REAL300033973982	0	43	-1.0	-66.44	385.44	0.81	-65.63
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(F)=CC(F)=C2[O-])C1	REAL300033974048	0	40	-1.0	-66.69	368.09	3.26	-63.43
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300033974073	0	40	-1.0	-72.31	360.02	2.13	-70.18
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300033974098	0	36	-1.0	-49.92	334.22	-2.53	-52.45
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300033974101	1	40	-1.0	-60.42	377.63	2.27	-58.15
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300033974105	0	40	-1.0	-75.17	368.36	2.39	-72.78
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300033974134	1	40	-1.0	-56.32	374.51	1.87	-54.45
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1	REAL300033974221	0	40	-1.0	-63.12	362.99	-1.90	-65.02
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300033974273	0	40	-1.0	-56.20	370.02	2.17	-54.03
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300033974278	1	40	-1.0	-63.87	361.10	3.21	-60.66
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=NC=CC(C)=C2[O-])C1	REAL300033974343	1	42	-1.0	-67.74	371.46	2.78	-64.96
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300033974458	1	39	-1.0	-50.75	349.52	-0.26	-51.01
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300033974468	0	40	-1.0	-95.60	368.33	4.22	-91.38
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300033974580	0	39	-1.0	-47.62	369.44	0.89	-46.73
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300033974622	1	40	-1.0	-55.84	370.34	2.07	-53.77
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300033974633	0	39	-1.0	-75.00	368.53	-1.62	-76.62
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300033974648	0	40	-1.0	-61.89	368.14	1.90	-59.99
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300033974650	0	42	-1.0	-62.66	383.45	-0.93	-63.59
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300033974651	0	40	-1.0	-68.96	361.65	3.02	-65.94
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)C2=C(C)C=CC(F)=C2[O-])C1	REAL300033974688	0	43	-1.0	-67.00	387.45	2.56	-64.44
C=CCC1(NC(=O)C2=NSNC2=O)CN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300033974757	0	40	-1.0	-53.89	375.73	-2.37	-56.26
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CC1=CN=C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300034001282	1	45	-1.0	-80.23	369.04	0.87	-79.36
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC([O-])=CS2)C1)C1=NSNC1=O	REAL300034001293	0	40	-1.0	-69.80	343.51	-1.91	-71.71
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=NSNC1=O	REAL300034001304	0	43	-1.0	-73.25	360.82	-0.48	-73.73
CN1[N-]C(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034001392	0	43	-1.0	-65.11	360.42	-1.89	-67.00
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)[N-]C(=O)N1	REAL300034001473	0	41	-1.0	-57.64	351.47	-5.89	-63.53
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)NC(=O)[N-]1	REAL300034001473	1	41	-1.0	-57.64	351.47	-5.89	-63.53
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300034001564	0	39	-1.0	-65.41	332.44	-3.12	-68.53
O=C(NC1CCSC12CN(C(=O)C1=NSNC1=O)C2)C1=COC(=O)[N-]1	REAL300034002175	1	37	-1.0	-48.14	344.51	-1.74	-49.88
O=C(CC1=CC(=O)N[N-]1)NC1CCSC12CN(C(=O)C1=NSNC1=O)C2	REAL300034002239	1	41	-1.0	-59.94	370.13	-0.08	-60.02
CN1N=C(C(=O)NC2CCSC23CN(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300034002244	0	40	-1.0	-59.06	367.26	-0.22	-59.28
O=C(NC1CCSC12CN(C(=O)C1=NSNC1=O)C2)C1=C[N-]N=CC1=O	REAL300034002266	0	39	-1.0	-47.31	354.07	1.36	-45.95
O=C(NC1CCSC12CN(C(=O)C1=NSNC1=O)C2)C1=CC(=O)N[N-]1	REAL300034002297	0	38	-1.0	-53.22	349.84	-0.79	-54.01
O=C(NC1CCSC12CN(C(=O)C1=NSNC1=O)C2)C1=NC(=O)N[N-]1	REAL300034002425	0	37	-1.0	-47.92	343.94	-2.06	-49.98
O=C(NC1CCSC12CN(C(=O)C1=NC=CC=C1[O-])C2)C1=NSNC1=O	REAL300034002699	1	40	-1.0	-79.22	361.75	3.11	-76.11
O=C(NC1CCSC12CN(C(=O)C1=COC(=O)[N-]1)C2)C1=NSNC1=O	REAL300034003138	1	37	-1.0	-51.29	345.26	-1.08	-52.37
O=C(NC1CCSC12CN(C(=O)C1=C[N-]N=CC1=O)C2)C1=NSNC1=O	REAL300034003200	0	39	-1.0	-61.68	352.61	2.20	-59.48
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)N[N-]1)C2)C1=NSNC1=O	REAL300034003254	0	38	-1.0	-52.20	349.48	-0.77	-52.97
O=C(NC1CCSC12CN(C(=O)C1=NC(=O)N[N-]1)C2)C1=NSNC1=O	REAL300034003283	0	37	-1.0	-53.10	344.84	-1.54	-54.64
O=C(NC1CCSC12CN(C(=O)C1=CN=CC([O-])=C1)C2)C1=NSNC1=O	REAL300034003378	1	40	-1.0	-58.59	359.59	0.44	-58.15
CN1N=C(C(=O)N2CC3(C2)SCCC3NC(=O)C2=NSNC2=O)[N-]C1=O	REAL300034003472	0	40	-1.0	-59.23	366.94	-0.57	-59.80
O=C(NC1CCSC12CN(C(=O)C1=CC=NC=C1[O-])C2)C1=NSNC1=O	REAL300034003580	0	40	-1.0	-64.91	357.66	2.11	-62.80
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NSNC1=O	REAL300034003582	0	37	-1.0	-58.61	345.12	-0.14	-58.75
CN1[N-]C(C(=O)N2CC3(C2)SCCC3NC(=O)C2=NSNC2=O)=CC1=O	REAL300034003657	0	41	-1.0	-62.04	372.92	1.24	-60.80
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)SCCC2NC(=O)C1=NSNC1=O	REAL300034003696	1	41	-1.0	-62.02	372.42	-0.19	-62.21
O=C(NC1CCSC12CN(C(=O)C1=CC([O-])=CS1)C2)C1=NSNC1=O	REAL300034003734	0	38	-1.0	-68.26	357.31	1.65	-66.61
CN1[N-]C(C(=O)NC2CCSC23CN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300034003781	0	41	-1.0	-55.39	372.58	0.92	-54.47
O=C(NC1CCSC12CN(C(=O)C1=NSNC1=O)C2)C1=CC(=O)[N-]O1	REAL300034003861	0	37	-1.0	-58.54	344.58	-0.31	-58.85
CC(NC(=O)C1=NNC(=O)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034005021	0	40	-1.0	-58.06	355.57	-3.08	-61.14
CC(NC(=O)CN1C(=O)[N-]NC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034005105	0	42	-1.0	-65.06	369.10	-1.49	-66.55
CC(NC(=O)C1=CN([O-])C(=O)C=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034005696	0	42	-1.0	-75.71	366.12	2.99	-72.72
CC(NC(=O)C1=CC(=O)NC([O-])=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034005810	0	42	-1.0	-58.34	366.53	-1.91	-60.25
CC(NC(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034005821	1	38	-1.0	-50.63	339.18	-1.99	-52.62
CC([N-]C(=O)C(F)(F)C(F)(F)F)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034005911	1	37	-1.0	-46.57	339.48	1.99	-44.58
CCN1[N-]C(C(=O)NC(C)C2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034005991	0	45	-1.0	-55.47	388.55	1.65	-53.82
CC(NC(=O)CC1=CC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034005999	1	42	-1.0	-66.37	364.09	-0.47	-66.84
CC(NC(=O)C1=CC=CC(=S)N1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034006017	0	42	-1.0	-92.27	374.61	5.03	-87.24
CC(NC(=O)CC1SC(=O)[N-]C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034006026	0	42	-1.0	-58.23	377.99	-1.87	-60.10
CC(NC(=O)C1=NN(C)C(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034006042	0	41	-1.0	-65.61	360.80	-0.89	-66.50
CC(NC(=O)C1=C[N-]N=CC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034006131	0	40	-1.0	-43.29	348.20	1.13	-42.16
CC(NC(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034006230	0	39	-1.0	-52.09	344.01	-1.01	-53.10
CC(NC(=O)C(=O)[PH](C)(C)[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034006235	0	44	-1.0	-59.08	377.92	0.48	-58.60
CC(NC(=O)C1=CC=CN([O-])C1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034006266	0	42	-1.0	-71.78	363.59	3.16	-68.62
CC(NC(=O)C1=NC(=O)C(C)S1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034006294	0	41	-1.0	-66.55	370.02	-0.96	-67.51
CC1=C([O-])N=C(C(=O)NC(C)C2CCN(C(=O)C3=NSNC3=O)C2)S1	REAL300034006294	1	41	-1.0	-66.55	370.02	-0.96	-67.51
CC(NC(=O)C1=CC(=O)C=C(Cl)N1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034006308	0	41	-1.0	-49.07	374.16	2.30	-46.77
CC(NC(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034006308	1	41	-1.0	-49.07	374.16	2.30	-46.77
CC(NC(=O)C1=CC(=O)N([O-])C=C1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034006325	0	42	-1.0	-76.34	366.49	2.99	-73.35
CC(NC(=O)C1=CC=CC(=O)N1[O-])C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034006358	0	42	-1.0	-88.94	363.50	3.98	-84.96
CC(NC(=O)CC1=C([O-])N=C(N)S1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034006481	0	43	-1.0	-72.61	385.19	-2.02	-74.63
CC(NC(=O)CC1=NC([O-])=CS1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034006526	0	41	-1.0	-78.61	369.98	-1.18	-79.79
CCC1=NC=C(C(=O)NC(C)C2CCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300034006544	0	46	-1.0	-59.03	388.50	1.45	-57.58
CCC1=NC=C(C(=O)NC(C)C2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300034006544	1	46	-1.0	-59.03	388.50	1.45	-57.58
CC1=CC(=O)C(C(=O)NC(C)C2CCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300034006755	0	43	-1.0	-55.03	372.73	2.77	-52.26
CC(NC(=O)C1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034006770	0	38	-1.0	-62.80	338.23	-2.49	-65.29
CC(NC(=O)C1=CN=C(C=N[O-])S1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034006881	0	41	-1.0	-71.44	379.12	0.57	-70.87
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300034007150	1	41	-1.0	-67.50	355.18	2.54	-64.96
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300034007273	0	40	-1.0	-59.08	355.14	-3.14	-62.22
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300034007433	0	42	-1.0	-59.63	373.06	-1.62	-61.25
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300034008752	1	42	-1.0	-61.93	377.59	3.40	-58.53
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300034008777	1	43	-1.0	-59.03	378.98	2.25	-56.78
CCC1=NC=C(C(=O)N2CCC(C(C)NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300034008860	1	46	-1.0	-59.87	398.09	0.81	-59.06
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300034008878	1	38	-1.0	-52.95	339.26	-1.28	-54.23
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300034008945	0	41	-1.0	-53.17	377.25	-1.35	-54.52
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300034008946	0	43	-1.0	-73.94	388.05	-2.27	-76.21
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300034008955	0	42	-1.0	-52.23	380.42	2.26	-49.97
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300034008970	1	42	-1.0	-56.95	367.48	1.95	-55.00
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300034008976	0	41	-1.0	-54.07	363.55	1.30	-52.77
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300034008983	1	43	-1.0	-53.29	377.73	2.16	-51.13
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300034008986	0	41	-1.0	-58.18	372.74	1.30	-56.88
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300034009002	0	43	-1.0	-65.65	382.77	-2.86	-68.51
CC1=CC=C([O-])C(C(=O)N2CCC(C(C)NC(=O)C3=NSNC3=O)C2)=N1	REAL300034009062	1	44	-1.0	-68.43	377.31	3.21	-65.22
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300034009064	1	44	-1.0	-63.14	383.32	-1.51	-64.65
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300034009080	0	40	-1.0	-52.11	357.16	0.49	-51.62
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300034009089	0	42	-1.0	-70.25	367.57	3.10	-67.15
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300034009175	1	42	-1.0	-67.48	367.83	2.07	-65.41
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300034009273	0	39	-1.0	-54.14	343.53	-1.16	-55.30
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300034009279	0	44	-1.0	-53.57	378.26	0.24	-53.33
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300034009366	0	42	-1.0	-65.98	373.61	2.65	-63.33
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300034009390	0	38	-1.0	-53.06	338.39	-1.99	-55.05
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(O)C=CC=C2Cl)C1	REAL300034009393	0	42	-1.0	-59.66	383.51	2.65	-57.01
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300034009393	1	42	-1.0	-59.66	383.51	2.65	-57.01
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300034009397	0	42	-1.0	-81.21	373.79	2.75	-78.46
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300034009426	0	42	-1.0	-60.30	379.88	2.14	-58.16
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300034009426	1	42	-1.0	-60.30	379.88	2.14	-58.16
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300034009561	0	42	-1.0	-61.33	367.27	2.95	-58.38
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300034009561	1	42	-1.0	-61.33	367.27	2.95	-58.38
CC1=CC=NC(C(=O)N2CCC(C(C)NC(=O)C3=NSNC3=O)C2)=C1O	REAL300034009624	0	44	-1.0	-67.10	376.03	3.33	-63.77
CC1=CC=NC(C(=O)N2CCC(C(C)NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300034009624	1	44	-1.0	-67.10	376.03	3.33	-63.77
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=CC(O)=C2)C1	REAL300034009728	0	41	-1.0	-53.86	353.07	0.03	-53.83
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300034009728	1	41	-1.0	-53.86	353.07	0.03	-53.83
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300034009738	0	42	-1.0	-77.18	384.23	3.06	-74.12
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300034009845	0	41	-1.0	-50.34	373.48	1.37	-48.97
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(O)C=C2Cl)C1	REAL300034009883	0	42	-1.0	-55.66	376.13	2.39	-53.27
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300034009883	1	42	-1.0	-55.66	376.13	2.39	-53.27
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300034009894	0	41	-1.0	-71.88	373.90	-1.25	-73.13
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300034009911	0	44	-1.0	-60.89	388.54	-0.76	-61.65
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300034010004	0	42	-1.0	-52.12	381.55	-2.06	-54.18
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300034010029	0	42	-1.0	-58.65	373.57	2.00	-56.65
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300034010035	0	42	-1.0	-65.00	377.38	3.58	-61.42
CC1=CC(=O)C(C(=O)N2CCC(C(C)NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300034010063	0	43	-1.0	-57.44	372.33	2.73	-54.71
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300034010088	0	42	-1.0	-74.39	373.12	2.43	-71.96
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300034010116	0	42	-1.0	-55.92	382.99	0.31	-55.61
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300034010162	0	41	-1.0	-60.68	361.48	-0.89	-61.57
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300034010211	0	43	-1.0	-61.53	384.63	0.34	-61.19
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300034010211	1	43	-1.0	-61.53	384.63	0.34	-61.19
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300034010220	0	43	-1.0	-58.53	381.69	3.33	-55.20
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300034010303	0	42	-1.0	-56.90	378.61	0.07	-56.83
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300034010354	0	42	-1.0	-56.76	363.81	1.76	-55.00
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300034010354	1	42	-1.0	-56.76	363.81	1.76	-55.00
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(Cl)C=C2O)C1	REAL300034010372	0	42	-1.0	-63.99	377.55	3.44	-60.55
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300034010372	1	42	-1.0	-63.99	377.55	3.44	-60.55
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300034010439	0	40	-1.0	-54.94	356.33	-3.64	-58.58
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300034010439	1	40	-1.0	-49.67	357.25	-2.81	-52.48
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300034010493	1	42	-1.0	-60.18	371.65	-0.81	-60.99
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300034010526	0	42	-1.0	-66.96	373.53	1.99	-64.97
COC1=NC(C(=O)N2CCC(C(C)NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300034010568	0	44	-1.0	-59.28	382.82	-2.55	-61.83
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300034010577	0	41	-1.0	-63.68	371.95	3.17	-60.51
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300034010615	0	42	-1.0	-53.12	373.61	2.26	-50.86
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300034010624	0	41	-1.0	-64.24	355.83	1.01	-63.23
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300034010630	0	38	-1.0	-57.51	339.14	-0.87	-58.38
CC1=C([O-])N=C(C(=O)N2CCC(C(C)NC(=O)C3=NSNC3=O)C2)S1	REAL300034010652	1	41	-1.0	-58.59	370.53	-0.55	-59.14
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300034010744	1	44	-1.0	-56.24	381.40	2.13	-54.11
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300034010763	0	41	-1.0	-67.86	376.83	0.01	-67.85
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300034010784	1	41	-1.0	-50.87	373.16	2.38	-48.49
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300034010804	0	42	-1.0	-52.30	374.13	-2.28	-54.58
CCN1[N-]C(C(=O)N2CCC(C(C)NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034010861	0	45	-1.0	-57.64	388.59	1.57	-56.07
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300034010880	0	42	-1.0	-56.78	366.78	0.64	-56.14
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300034010890	0	42	-1.0	-57.67	384.15	-1.35	-59.02
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300034011017	1	42	-1.0	-62.87	367.97	-0.58	-63.45
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300034011022	1	42	-1.0	-61.15	363.77	1.82	-59.33
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300034011068	0	42	-1.0	-59.21	370.50	1.95	-57.26
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300034011073	0	41	-1.0	-62.33	372.01	1.49	-60.84
CC1=C(CC(=O)N2CCC(C(C)NC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300034011088	0	48	-1.0	-65.32	410.93	1.87	-63.45
CC1=CN=C(C(=O)N2CCC(C(C)NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300034011124	1	44	-1.0	-68.88	376.63	3.21	-65.67
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CC([O-])=CS2)C1	REAL300034011145	0	39	-1.0	-65.78	350.66	0.91	-64.87
CC(NC(=O)C1=NSNC1=O)C1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300034011161	0	42	-1.0	-67.50	374.33	2.72	-64.78
CC(NC(=O)C1=CC(=O)N(C)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034011313	0	42	-1.0	-54.79	366.82	0.72	-54.07
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034011320	0	42	-1.0	-58.68	380.99	-1.17	-59.85
CC(NC(=O)C1=NC(=O)[N-]C(=O)N1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034011469	0	40	-1.0	-62.65	356.60	-4.14	-66.79
CC(NC(=O)C1=NC(=O)NC(=O)[N-]1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034011469	1	40	-1.0	-56.44	357.51	-3.32	-59.76
CC(NC(=O)CN1[N-]C(=O)C=CC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034011608	0	44	-1.0	-65.21	385.21	-0.49	-65.70
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034011615	0	38	-1.0	-63.68	338.22	-0.59	-64.27
CC(NC(=O)C1=CN([O-])C(=O)NC1=O)C1CCN(C(=O)C2=NSNC2=O)C1	REAL300034011626	0	42	-1.0	-52.79	368.67	0.61	-52.18
O=C(NC12CCC(CC1)N(C(=O)C1=NSNC1=O)C2)C1=CN([O-])C(=O)C=C1	REAL300034013137	0	43	-1.0	-67.67	355.88	3.32	-64.35
O=C(NC12CCC(CC1)N(C(=O)C1=NSNC1=O)C2)C1=CC(=O)NC([O-])=C1	REAL300034013205	0	43	-1.0	-47.78	356.46	-1.58	-49.36
O=C(NC12CCC(CC1)N(C(=O)C1=NSNC1=O)C2)C1=COC(=O)[N-]1	REAL300034013216	1	39	-1.0	-47.21	328.40	-1.73	-48.94
CCN1[N-]C(C(=O)NC23CCC(CC2)N(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300034013321	0	46	-1.0	-50.85	377.78	1.90	-48.95
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CN1N=C(C(=O)NC23CCC(CC2)N(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300034013347	0	42	-1.0	-53.86	350.55	-0.55	-54.41
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C[PH](C)([O-])C(=O)C(=O)NC12CCC(CC1)N(C(=O)C1=NSNC1=O)C2	REAL300034013458	0	45	-1.0	-46.86	371.68	0.58	-46.28
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CC1SC(C(=O)NC23CCC(CC2)N(C(=O)C2=NSNC2=O)C3)=NC1=O	REAL300034013501	0	42	-1.0	-53.17	360.12	-0.63	-53.80
CC1=C([O-])N=C(C(=O)NC23CCC(CC2)N(C(=O)C2=NSNC2=O)C3)S1	REAL300034013501	1	42	-1.0	-53.17	360.12	-0.63	-53.80
O=C(NC12CCC(CC1)N(C(=O)C1=NSNC1=O)C2)C1=CC(=O)N([O-])C=C1	REAL300034013513	0	43	-1.0	-68.20	356.25	3.32	-64.88
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CC1=CC(=O)C(C(=O)NC23CCC(CC2)N(C(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300034013764	0	44	-1.0	-49.58	362.11	2.92	-46.66
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N#CC1=CC([O-])=CC(C(=O)N2CC3(NC(=O)C4=NSNC4=O)CCC2CC3)=C1	REAL300034015095	1	44	-1.0	-61.51	368.46	2.14	-59.37
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N#CC1=CC=C(C(=O)N2CC3(NC(=O)C4=NSNC4=O)CCC2CC3)C=C1[O-]	REAL300034015238	1	44	-1.0	-62.16	367.79	2.23	-59.93
CC1=CC=C([O-])C(C(=O)N2CC3(NC(=O)C4=NSNC4=O)CCC2CC3)=N1	REAL300034015289	1	45	-1.0	-74.04	366.61	3.40	-70.64
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C[PH](C)([O-])C(=O)C(=O)N1CC2(NC(=O)C3=NSNC3=O)CCC1CC2	REAL300034015448	0	45	-1.0	-61.68	372.05	0.18	-61.50
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CC1=CC=NC(C(=O)N2CC3(NC(=O)C4=NSNC4=O)CCC2CC3)=C1O	REAL300034015668	0	45	-1.0	-72.80	365.47	3.49	-69.31
CC1=CC=NC(C(=O)N2CC3(NC(=O)C4=NSNC4=O)CCC2CC3)=C1[O-]	REAL300034015668	1	45	-1.0	-72.80	365.47	3.49	-69.31
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NC1=NC=C(C(=O)N2CC3(NC(=O)C4=NSNC4=O)CCC2CC3)C(=O)N1	REAL300034016203	0	43	-1.0	-76.31	360.98	-0.71	-77.02
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CC1SC(C(=O)N2CC3(NC(=O)C4=NSNC4=O)CCC2CC3)=NC1=O	REAL300034016307	0	42	-1.0	-71.38	360.22	-0.22	-71.60
CC1=C([O-])N=C(C(=O)N2CC3(NC(=O)C4=NSNC4=O)CCC2CC3)S1	REAL300034016307	1	42	-1.0	-71.38	360.22	-0.22	-71.60
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CCN1[N-]C(C(=O)N2CC3(NC(=O)C4=NSNC4=O)CCC2CC3)=CC1=O	REAL300034016448	0	46	-1.0	-65.22	377.96	1.71	-63.51
CN1[N-]C(C(=O)N2CC3(NC(=O)C4=NSNC4=O)CCC2CC3)=CC1=O	REAL300034016464	0	43	-1.0	-64.67	356.16	0.77	-63.90
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CC1=CN=C(C(=O)N2CC3(NC(=O)C4=NSNC4=O)CCC2CC3)C(O)=C1	REAL300034016611	0	45	-1.0	-74.77	366.45	3.46	-71.31
CC1=CN=C(C(=O)N2CC3(NC(=O)C4=NSNC4=O)CCC2CC3)C([O-])=C1	REAL300034016611	1	45	-1.0	-74.77	366.45	3.46	-71.31
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CN1[N-]C(C(=O)NC23CCC(CC2)N(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300034016723	0	43	-1.0	-50.00	355.98	0.95	-49.05
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CN1N=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC3(CCC3)C2)[N-]C1=O	REAL300034019099	0	45	-1.0	-70.22	379.80	0.22	-70.00
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CN1[N-]C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC3(CCC3)C2)=CC1=O	REAL300034019319	0	46	-1.0	-65.42	384.03	1.71	-63.71
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CN1[N-]C(C(=O)NC2CN(C(=O)C3=NSNC3=O)CC3(CCC3)C2)=CC1=O	REAL300034019468	0	46	-1.0	-64.70	385.31	1.72	-62.98
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CN1N=C(C(=O)N2CCCC3(NC(=O)C4=NSNC4=O)CCCC23)[N-]C1=O	REAL300034021487	0	45	-1.0	-51.88	362.58	1.14	-50.74
O=C(NC12CCCC1N(C(=O)C1=CC=NC=C1[O-])CCC2)C1=NSNC1=O	REAL300034021596	0	45	-1.0	-54.96	357.31	3.20	-51.76
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CN1[N-]C(C(=O)N2CCCC3(NC(=O)C4=NSNC4=O)CCCC23)=CC1=O	REAL300034021677	0	46	-1.0	-48.02	368.03	2.64	-45.38
O=C(CC1=CC(=O)N[N-]1)N1CCCC2(NC(=O)C3=NSNC3=O)CCCC12	REAL300034021713	1	46	-1.0	-54.43	369.36	1.39	-53.04
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CN1[N-]C(C(=O)NC23CCCC2N(C(=O)C2=NSNC2=O)CCC3)=CC1=O	REAL300034021799	0	46	-1.0	-56.09	368.06	2.52	-53.57
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O=C(N[C@H]1CN(C(=O)C2=NSNC2=O)CC[C@H]1F)C1=COC(=O)[N-]1	REAL300034023685	1	35	-1.0	-58.14	316.82	-2.64	-60.78
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CCN1[N-]C(C(=O)N[C@H]2CN(C(=O)C3=NSNC3=O)CC[C@H]2F)=CC1=O	REAL300034023846	0	42	-1.0	-63.41	366.43	1.03	-62.38
O=C(CC1=CC(=O)N[N-]1)N[C@H]1CN(C(=O)C2=NSNC2=O)CC[C@H]1F	REAL300034023853	1	39	-1.0	-70.93	342.12	-1.02	-71.95
O=C(N[C@H]1CN(C(=O)C2=NSNC2=O)CC[C@H]1F)C1=CC=CC(=S)N1[O-]	REAL300034023866	0	39	-1.0	-99.23	353.09	4.49	-94.74
CN1N=C(C(=O)N[C@H]2CN(C(=O)C3=NSNC3=O)CC[C@H]2F)[N-]C1=O	REAL300034023889	0	38	-1.0	-66.35	338.96	-1.45	-67.80
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CC1=C(CC(=O)N[C@H]2CN(C(=O)C3=NSNC3=O)CC[C@H]2F)C(=O)N(C)[N-]1	REAL300034024002	0	45	-1.0	-74.84	385.42	1.42	-73.42
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C[PH](C)([O-])C(=O)C(=O)N[C@H]1CN(C(=O)C2=NSNC2=O)CC[C@H]1F	REAL300034024059	0	41	-1.0	-60.09	354.80	-0.29	-60.38
CN1[N-]C(CC(=O)N[C@H]2CN(C(=O)C3=NSNC3=O)CC[C@H]2F)=CC1=O	REAL300034024062	0	42	-1.0	-72.97	364.87	0.71	-72.26
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CC1=C([O-])N=C(C(=O)N[C@H]2CN(C(=O)C3=NSNC3=O)CC[C@H]2F)S1	REAL300034024112	1	38	-1.0	-63.41	348.52	-1.53	-64.94
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CC1=CC(=O)C(C(=O)N[C@H]2CN(C(=O)C3=NSNC3=O)CC[C@H]2F)=N[N-]1	REAL300034024538	0	40	-1.0	-64.88	350.59	2.16	-62.72
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COC1=NC(C(=O)N[C@H]2CN(C(=O)C3=NSNC3=O)CC[C@H]2F)=CC(=O)[N-]1	REAL300034024663	0	41	-1.0	-64.44	362.60	-3.61	-68.05
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N#CC1=CC([O-])=CC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=NSNC3=O)C2)=C1	REAL300034026380	1	40	-1.0	-53.53	363.03	1.75	-51.78
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N#CC1=CC=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=NSNC3=O)C2)C=C1[O-]	REAL300034026567	1	40	-1.0	-66.36	361.76	1.79	-64.57
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CC1=CC=C([O-])C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=NSNC3=O)C2)=N1	REAL300034026639	1	41	-1.0	-75.74	357.89	2.06	-73.68
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C[PH](C)([O-])C(=O)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300034026839	0	41	-1.0	-58.80	360.45	-0.76	-59.56
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O=C(N[C@H]1CN(C(=O)C2=NC(=O)N[N-]2)CC[C@H]1F)C1=NSNC1=O	REAL300034026941	0	35	-1.0	-54.61	316.37	-2.22	-56.83
O=C(N[C@H]1CN(C(=O)C2=CC=CN([O-])C2=O)CC[C@H]1F)C1=NSNC1=O	REAL300034026946	0	39	-1.0	-87.26	351.21	2.05	-85.21
NC1=CC(=O)[N-]C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=NSNC3=O)C2)=N1	REAL300034027046	0	39	-1.0	-67.47	346.08	-2.05	-69.52
O=C(N[C@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])CC[C@H]1F)C1=NSNC1=O	REAL300034027091	1	39	-1.0	-70.48	345.60	2.61	-67.87
CC1=CC=NC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300034027150	1	41	-1.0	-74.31	354.08	2.72	-71.59
O=C(N[C@H]1CN(C(=O)C2=CN=CC([O-])=C2)CC[C@H]1F)C1=NSNC1=O	REAL300034027240	1	38	-1.0	-64.28	335.46	-0.58	-64.86
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O=C(N[C@H]1CN(C(=O)C2=C([O-])C=CC=C2F)CC[C@H]1F)C1=NSNC1=O	REAL300034027402	0	39	-1.0	-67.98	351.83	1.61	-66.37
O=C(CN1[N-]C(=O)C=CC1=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300034027403	0	41	-1.0	-68.28	366.43	-1.32	-69.60
O=C(N[C@H]1CN(C(=O)C2=CC=C(F)C=C2[O-])CC[C@H]1F)C1=NSNC1=O	REAL300034027404	0	39	-1.0	-74.40	345.64	2.56	-71.84
CC1=CC=C(F)C([O-])=C1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300034027434	0	42	-1.0	-71.94	371.30	2.19	-69.75
CC1=CC(=O)C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300034027540	0	40	-1.0	-63.59	354.64	0.63	-62.96
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N#CC1=CC=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300034027584	0	39	-1.0	-50.91	353.15	-0.41	-51.32
CN1N=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300034027622	0	38	-1.0	-64.69	339.14	-1.44	-66.13
N#CC1=CC=C([O-])C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=NSNC3=O)C2)=C1	REAL300034027673	0	40	-1.0	-62.16	362.46	2.10	-60.06
O=C(N[C@H]1CN(C(=O)C2=CC=C(F)C(O)=C2)CC[C@H]1F)C1=NSNC1=O	REAL300034027799	0	39	-1.0	-59.35	347.78	1.40	-57.95
O=C(N[C@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2)CC[C@H]1F)C1=NSNC1=O	REAL300034027799	1	39	-1.0	-59.35	347.78	1.40	-57.95
O=C(N[C@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC[C@H]1F)C1=NSNC1=O	REAL300034027872	0	37	-1.0	-55.05	334.91	-4.02	-59.07
O=C(N[C@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC[C@H]1F)C1=NSNC1=O	REAL300034027872	1	37	-1.0	-52.32	335.75	-3.34	-55.66
COC1=NC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300034027989	0	41	-1.0	-62.18	364.26	-3.19	-65.37
O=C(N[C@H]1CN(C(=O)C2=CC=NC=C2[O-])CC[C@H]1F)C1=NSNC1=O	REAL300034028036	0	38	-1.0	-73.91	334.18	0.68	-73.23
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=NSNC1=O	REAL300034028041	0	35	-1.0	-60.56	316.53	-1.53	-62.09
CC1=C([O-])N=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=NSNC3=O)C2)S1	REAL300034028060	1	38	-1.0	-58.89	348.38	-0.78	-59.67
O=C(N[C@H]1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC[C@H]1F)C1=NSNC1=O	REAL300034028145	1	41	-1.0	-58.49	368.10	1.36	-57.13
O=C(N[C@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)CC[C@H]1F)C1=NSNC1=O	REAL300034028194	0	39	-1.0	-55.27	351.66	-2.87	-58.14
CCN1[N-]C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034028247	0	42	-1.0	-61.15	366.14	1.06	-60.09
CN1[N-]C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034028264	0	39	-1.0	-60.30	344.35	0.13	-60.17
O=C(CC1=CC(=O)N[N-]1)N1CC[C@@H](F)[C@@H](NC(=O)C2=NSNC2=O)C1	REAL300034028382	1	39	-1.0	-69.99	345.37	-1.20	-71.19
O=C(N[C@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)CC[C@H]1F)C1=NSNC1=O	REAL300034028387	1	39	-1.0	-60.36	347.75	1.44	-58.92
CC1=C(CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300034028444	0	45	-1.0	-72.56	388.95	1.23	-71.33
CC1=CN=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300034028475	1	41	-1.0	-76.01	355.20	2.68	-73.33
O=C(N[C@H]1CN(C(=O)C2=CC([O-])=CS2)CC[C@H]1F)C1=NSNC1=O	REAL300034028492	0	36	-1.0	-68.78	331.02	0.24	-68.54
O=C(N[C@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)CC[C@H]1F)C1=NSNC1=O	REAL300034028507	0	39	-1.0	-74.44	346.18	1.85	-72.59
CN1[N-]C(C(=O)N[C@H]2CN(C(=O)C3=NSNC3=O)CC[C@H]2F)=CC1=O	REAL300034028646	0	39	-1.0	-62.53	344.70	0.09	-62.44
O=C([N-][C@H]1CN(C(=O)C2=NSNC2=O)CC[C@H]1F)C(F)(F)C(F)F	REAL300034028729	0	34	-1.0	-38.03	313.75	0.68	-37.35
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O=C(N[C@H]1CN(C(=O)C2=NSNC2=O)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300034028918	0	35	-1.0	-62.88	316.39	-1.18	-64.06
O=C(NC1C2COCC1CN(C(=O)C1=NSNC1=O)C2)C1=COC(=O)[N-]1	REAL300034029580	1	40	-1.0	-52.87	337.05	-2.11	-54.98
O=C(CC1=CC(=O)N[N-]1)NC1C2COCC1CN(C(=O)C1=NSNC1=O)C2	REAL300034029649	1	44	-1.0	-63.58	362.55	-0.51	-64.09
CN1N=C(C(=O)NC2C3COCC2CN(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300034029655	0	43	-1.0	-59.58	359.21	-0.93	-60.51
O=C(NC1C2COCC1CN(C(=O)C1=NSNC1=O)C2)C1=C[N-]N=CC1=O	REAL300034029681	0	42	-1.0	-45.37	346.10	1.03	-44.34
O=C(NC1C2COCC1CN(C(=O)C1=NSNC1=O)C2)C1=CC(=O)N[N-]1	REAL300034029712	0	41	-1.0	-53.19	341.88	-1.13	-54.32
O=C(NC1C2COCC1CN(C(=O)C1=NSNC1=O)C2)C1=NC(=O)N[N-]1	REAL300034029852	0	40	-1.0	-49.46	335.93	-2.35	-51.81
O=C(NC1C2COCC1CN(C(=O)C1=NC=CC=C1[O-])C2)C1=NSNC1=O	REAL300034030133	1	43	-1.0	-65.44	355.58	2.06	-63.38
O=C(NC1C2COCC1CN(C(=O)C1=COC(=O)[N-]1)C2)C1=NSNC1=O	REAL300034030600	1	40	-1.0	-51.13	336.73	-1.02	-52.15
O=C(NC1C2COCC1CN(C(=O)C1=C[N-]N=CC1=O)C2)C1=NSNC1=O	REAL300034030667	0	42	-1.0	-47.25	347.66	0.44	-46.81
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)N[N-]1)C2)C1=NSNC1=O	REAL300034030724	0	41	-1.0	-53.86	341.62	-1.09	-54.95
O=C(NC1C2COCC1CN(C(=O)C1=NC(=O)N[N-]1)C2)C1=NSNC1=O	REAL300034030757	0	40	-1.0	-51.60	336.36	-1.74	-53.34
O=C(NC1C2COCC1CN(C(=O)C1=CN=CC([O-])=C1)C2)C1=NSNC1=O	REAL300034030862	1	43	-1.0	-53.32	356.35	0.02	-53.30
CN1N=C(C(=O)N2CC3COCC(C2)C3NC(=O)C2=NSNC2=O)[N-]C1=O	REAL300034030966	0	43	-1.0	-59.24	358.33	-0.85	-60.09
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O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NSNC1=O	REAL300034031088	0	40	-1.0	-57.61	336.52	-1.05	-58.66
CN1[N-]C(C(=O)N2CC3COCC(C2)C3NC(=O)C2=NSNC2=O)=CC1=O	REAL300034031170	0	44	-1.0	-56.62	364.41	0.59	-56.03
O=C(CC1=CC(=O)N[N-]1)N1CC2COCC(C1)C2NC(=O)C1=NSNC1=O	REAL300034031215	1	44	-1.0	-64.77	365.34	-0.71	-65.48
O=C(NC1C2COCC1CN(C(=O)C1=CC([O-])=CS1)C2)C1=NSNC1=O	REAL300034031258	0	41	-1.0	-63.76	351.12	0.86	-62.90
CN1[N-]C(C(=O)NC2C3COCC2CN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300034031309	0	44	-1.0	-55.76	364.62	0.58	-55.18
O=C(NC1C2COCC1CN(C(=O)C1=NSNC1=O)C2)C1=CC(=O)[N-]O1	REAL300034031398	0	40	-1.0	-57.88	336.62	-0.64	-58.52
O=C(NCC1(F)CCN(C(=O)C2=NSNC2=O)CC1)C1=NNC(=O)[N-]C1=O	REAL300034032059	0	40	-1.0	-55.91	352.59	-2.95	-58.86
O=C(NCC1(F)CCN(C(=O)C2=NSNC2=O)CC1)C1=CN([O-])C(=O)C=C1	REAL300034032411	0	42	-1.0	-69.55	363.67	3.19	-66.36
O=C(NCC1(F)CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)NC([O-])=C1	REAL300034032478	0	42	-1.0	-49.68	364.14	-1.73	-51.41
O=C(NCC1(F)CCN(C(=O)C2=NSNC2=O)CC1)C1=COC(=O)[N-]1	REAL300034032487	1	38	-1.0	-49.39	336.21	-1.89	-51.28
CCN1[N-]C(C(=O)NCC2(F)CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300034032583	0	45	-1.0	-53.81	385.58	1.75	-52.06
O=C(CC1=CC(=O)N[N-]1)NCC1(F)CCN(C(=O)C2=NSNC2=O)CC1	REAL300034032590	1	42	-1.0	-61.19	361.96	-0.25	-61.44
CN1N=C(C(=O)NCC2(F)CCN(C(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300034032606	0	41	-1.0	-56.92	358.28	-0.67	-57.59
O=C(NCC1(F)CCN(C(=O)C2=NSNC2=O)CC1)C1=C[N-]N=CC1=O	REAL300034032648	0	40	-1.0	-42.46	345.26	1.28	-41.18
O=C(NCC1(F)CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)N[N-]1	REAL300034032699	0	39	-1.0	-50.35	341.03	-0.90	-51.25
C[PH](C)([O-])C(=O)C(=O)NCC1(F)CCN(C(=O)C2=NSNC2=O)CC1	REAL300034032704	0	44	-1.0	-50.37	374.23	0.43	-49.94
O=C(CCC1=NNC(=O)[N-]1)NCC1(F)CCN(C(=O)C2=NSNC2=O)CC1	REAL300034032721	0	44	-1.0	-56.39	376.78	-0.74	-57.13
O=C(NCC1(F)CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=CN([O-])C1=O	REAL300034032723	0	42	-1.0	-58.93	361.33	3.35	-55.58
O=C(NCC1(F)CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)N([O-])C=C1	REAL300034032749	0	42	-1.0	-69.82	364.04	3.17	-66.65
O=C(NCC1(F)CCN(C(=O)C2=NSNC2=O)CC1)C1=CC=CC(=O)N1[O-]	REAL300034032769	0	42	-1.0	-83.65	361.17	4.17	-79.48
CC1=CC(=O)C(C(=O)NCC2(F)CCN(C(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300034032978	0	43	-1.0	-53.36	369.75	2.92	-50.44
O=C(NCC1(F)CCN(C(=O)C2=NSNC2=O)CC1)C1=NC(=O)N[N-]1	REAL300034032986	0	38	-1.0	-49.25	335.63	-2.19	-51.44
O=C(NCC1(F)CCN(C(=O)C2=NC=CC=C2[O-])CC1)C1=NSNC1=O	REAL300034033308	1	41	-1.0	-64.38	352.90	2.79	-61.59
O=C(NCC1(F)CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1)C1=NSNC1=O	REAL300034033396	0	40	-1.0	-57.14	352.50	-3.03	-60.17
O=C(NCC1(F)CCN(C(=O)C2=COC(=O)[N-]2)CC1)C1=NSNC1=O	REAL300034034157	1	38	-1.0	-49.04	335.90	-0.77	-49.81
O=C(NCC1(F)CCN(C(=O)C2=CC=C([O-])C=C2F)CC1)C1=NSNC1=O	REAL300034034212	1	42	-1.0	-54.89	368.50	2.22	-52.67
O=C(NCC1(F)CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1)C1=NSNC1=O	REAL300034034215	0	41	-1.0	-52.40	363.22	1.57	-50.83
CC1=CC=C([O-])C(C(=O)N2CCC(F)(CNC(=O)C3=NSNC3=O)CC2)=N1	REAL300034034255	1	44	-1.0	-64.46	377.09	2.80	-61.66
O=C(CCC1=NC(=O)[N-]N1)N1CCC(F)(CNC(=O)C2=NSNC2=O)CC1	REAL300034034256	1	44	-1.0	-61.30	379.77	-1.42	-62.72
O=C(NCC1(F)CCN(C(=O)C2=C[N-]N=CC2=O)CC1)C1=NSNC1=O	REAL300034034264	0	40	-1.0	-46.63	347.84	0.61	-46.02
O=C(NCC1(F)CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1)C1=NSNC1=O	REAL300034034271	0	42	-1.0	-68.49	367.02	2.46	-66.03
O=C(NCC1(F)CCN(C(=O)C2=CC=CC([O-])=C2F)CC1)C1=NSNC1=O	REAL300034034320	1	42	-1.0	-66.02	367.29	2.17	-63.85
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C1=NSNC1=O	REAL300034034378	0	39	-1.0	-51.71	340.74	-0.83	-52.54
C[PH](C)([O-])C(=O)C(=O)N1CCC(F)(CNC(=O)C2=NSNC2=O)CC1	REAL300034034383	0	44	-1.0	-51.21	380.17	0.08	-51.13
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1)C1=NSNC1=O	REAL300034034423	0	42	-1.0	-68.88	365.69	2.58	-66.30
O=C(NCC1(F)CCN(C(=O)C2=NC(=O)N[N-]2)CC1)C1=NSNC1=O	REAL300034034437	0	38	-1.0	-50.33	335.32	-1.49	-51.82
O=C(NCC1(F)CCN(C(=O)C2=CC=CN([O-])C2=O)CC1)C1=NSNC1=O	REAL300034034440	0	42	-1.0	-62.77	363.15	2.52	-60.25
O=C(NCC1(F)CCN(C(=O)C2=CC(F)=CC=C2O)CC1)C1=NSNC1=O	REAL300034034524	0	42	-1.0	-59.53	366.65	3.03	-56.50
O=C(NCC1(F)CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1)C1=NSNC1=O	REAL300034034524	1	42	-1.0	-59.53	366.65	3.03	-56.50
CC1=CC=NC(C(=O)N2CCC(F)(CNC(=O)C3=NSNC3=O)CC2)=C1O	REAL300034034563	0	44	-1.0	-63.37	373.22	3.46	-59.91
CC1=CC=NC(C(=O)N2CCC(F)(CNC(=O)C3=NSNC3=O)CC2)=C1[O-]	REAL300034034563	1	44	-1.0	-63.37	373.22	3.46	-59.91
O=C(NCC1(F)CCN(C(=O)C2=CN=CC(O)=C2)CC1)C1=NSNC1=O	REAL300034034612	0	41	-1.0	-58.01	354.48	0.16	-57.85
O=C(NCC1(F)CCN(C(=O)C2=CN=CC([O-])=C2)CC1)C1=NSNC1=O	REAL300034034612	1	41	-1.0	-58.01	354.48	0.16	-57.85
CC1=CC(=O)C(C(=O)N2CCC(F)(CNC(=O)C3=NSNC3=O)CC2)=N[N-]1	REAL300034034764	0	43	-1.0	-54.24	369.66	2.84	-51.40
O=C(NCC1(F)CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1)C1=NSNC1=O	REAL300034034776	0	42	-1.0	-62.72	363.11	2.90	-59.82
CN1N=C(C(=O)N2CCC(F)(CNC(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300034034810	0	41	-1.0	-57.90	358.22	-0.68	-58.58
O=C(NCC1(F)CCN(C(=O)C2=CC=C(F)C(O)=C2)CC1)C1=NSNC1=O	REAL300034034904	0	42	-1.0	-64.33	366.02	2.10	-62.23
O=C(NCC1(F)CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1)C1=NSNC1=O	REAL300034034904	1	42	-1.0	-64.33	366.02	2.10	-62.23
O=C(NCC1(F)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1)C1=NSNC1=O	REAL300034034940	0	40	-1.0	-51.91	354.07	-3.27	-55.18
O=C(NCC1(F)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1)C1=NSNC1=O	REAL300034034940	1	40	-1.0	-46.51	354.64	-2.52	-49.03
O=C(NCC1(F)CCN(C(=O)C2=CC=NC=C2[O-])CC1)C1=NSNC1=O	REAL300034035037	0	41	-1.0	-62.12	357.02	0.53	-61.59
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NSNC1=O	REAL300034035042	0	38	-1.0	-55.31	335.45	-0.88	-56.19
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1)C1=NSNC1=O	REAL300034035135	0	42	-1.0	-50.19	371.28	-2.11	-52.30
CCN1[N-]C(C(=O)N2CCC(F)(CNC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300034035169	0	45	-1.0	-54.60	385.30	1.81	-52.79
CN1[N-]C(C(=O)N2CCC(F)(CNC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300034035183	0	42	-1.0	-53.64	363.33	0.84	-52.80
O=C(CC1=CC(=O)N[N-]1)N1CCC(F)(CNC(=O)C2=NSNC2=O)CC1	REAL300034035255	1	42	-1.0	-61.88	364.50	-0.45	-62.33
O=C(NCC1(F)CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1)C1=NSNC1=O	REAL300034035257	1	42	-1.0	-57.56	365.99	2.11	-55.45
CC1=CN=C(C(=O)N2CCC(F)(CNC(=O)C3=NSNC3=O)CC2)C([O-])=C1	REAL300034035306	1	44	-1.0	-65.74	374.35	3.44	-62.30
O=C(NCC1(F)CCN(C(=O)C2=CC([O-])=CS2)CC1)C1=NSNC1=O	REAL300034035317	0	39	-1.0	-62.84	350.13	0.96	-61.88
O=C(NCC1(F)CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1)C1=NSNC1=O	REAL300034035327	0	42	-1.0	-68.74	365.59	2.57	-66.17
CN1[N-]C(C(=O)NCC2(F)CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300034035410	0	42	-1.0	-53.11	363.85	0.82	-52.29
O=C(NCC1(F)CCN(C(=O)C2=NSNC2=O)CC1)C(F)(F)C(F)F	REAL300034035451	0	37	-1.0	-48.35	337.62	1.40	-46.95
O=C([N-]CC1(F)CCN(C(=O)C2=NSNC2=O)CC1)C(F)(F)C(F)F	REAL300034035451	1	37	-1.0	-48.35	337.62	1.40	-46.95
O=C(NCC1(F)CCN(C(=O)C2=NSNC2=O)CC1)C1=NC(=O)[N-]C(=O)N1	REAL300034035482	0	40	-1.0	-46.62	354.80	-3.18	-49.80
O=C(NCC1(F)CCN(C(=O)C2=NSNC2=O)CC1)C1=NC(=O)NC(=O)[N-]1	REAL300034035482	1	40	-1.0	-46.62	354.80	-3.18	-49.80
O=C(NCC1(F)CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)[N-]O1	REAL300034035565	0	38	-1.0	-54.65	335.78	-0.40	-55.05
O=C(NC1CCC2CN(C(=O)C3=NSNC3=O)CCC2C1)C1=COC(=O)N1	REAL300034035923	0	45	-1.0	-52.86	369.88	0.07	-52.79
O=C(NC1CCC2CN(C(=O)C3=NSNC3=O)CCC2C1)C1=COC(=O)[N-]1	REAL300034035923	1	45	-1.0	-52.86	369.88	0.07	-52.79
O=C(NC1CCC2CN(C(=O)C3=NSNC3=O)CCC2C1)C1=CC(=O)N[N-]1	REAL300034036005	0	46	-1.0	-53.88	374.70	1.05	-52.83
O=C(NC1CCC2CN(C(=O)C3=NSNC3=O)CCC2C1)C1=NC(=O)N[N-]1	REAL300034036076	0	45	-1.0	-52.90	369.30	-0.24	-53.14
O=C(NC1CCC2CN(C(=O)C3=COC(=O)[N-]3)CCC2C1)C1=NSNC1=O	REAL300034036429	1	45	-1.0	-49.65	369.60	1.17	-48.48
O=C(NC1CCC2CN(C(=O)C3=CC(=O)N[N-]3)CCC2C1)C1=NSNC1=O	REAL300034036483	0	46	-1.0	-52.20	374.45	1.11	-51.09
O=C(NC1CCC2CN(C(=O)C3=NNC(=O)[N-]3)CCC2C1)C1=NSNC1=O	REAL300034036496	0	45	-1.0	-56.97	368.91	-0.42	-57.39
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1)C1=NSNC1=O	REAL300034036645	0	45	-1.0	-56.82	369.39	1.16	-55.66
O=C(NC1CCC2CN(C(=O)C3=NSNC3=O)CCC2C1)C1=CC(=O)[N-]O1	REAL300034036807	0	45	-1.0	-58.65	369.93	1.43	-57.22
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300034038037	0	38	-1.0	-63.50	347.13	-2.46	-65.96
O=C(CN1C(=O)[N-]NC1=O)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034038128	0	40	-1.0	-62.91	364.66	-0.78	-63.69
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CN([O-])C(=O)C=C3)C2)C1	REAL300034038754	0	40	-1.0	-75.54	356.90	3.24	-72.30
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300034038874	0	40	-1.0	-57.57	357.93	-1.67	-59.24
O=C(C1=COC(=O)[N-]1)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034038885	1	36	-1.0	-57.95	331.94	-0.93	-58.88
CCN1[N-]C(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300034039061	0	43	-1.0	-61.52	381.14	2.37	-59.15
O=C(CC1=CC(=O)N[N-]1)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034039069	1	40	-1.0	-65.58	359.66	0.27	-65.31
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=CC(=S)N3[O-])C2)C1	REAL300034039087	0	40	-1.0	-97.75	365.19	5.26	-92.49
O=C(CC1SC(=O)[N-]C1=O)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034039097	0	40	-1.0	-56.78	372.30	-1.30	-58.08
CN1N=C(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)[N-]C1=O	REAL300034039113	0	39	-1.0	-64.51	353.33	-0.22	-64.73
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300034039204	0	38	-1.0	-59.88	339.57	2.38	-57.50
O=C(C1=CC(=O)N[N-]1)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034039311	0	37	-1.0	-57.22	335.88	-0.42	-57.64
C[PH](C)([O-])C(=O)C(=O)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034039316	0	42	-1.0	-56.55	374.29	0.78	-55.77
O=C(CCC1=NC(=O)NN1)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034039344	0	42	-1.0	-67.88	374.86	-0.62	-68.50
O=C(CCC1=NC(=O)[N-]N1)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034039344	1	42	-1.0	-67.88	374.86	-0.62	-68.50
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=CN([O-])C3=O)C2)C1	REAL300034039348	0	40	-1.0	-80.52	365.53	3.63	-76.89
CC1SC(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=NC1=O	REAL300034039377	0	39	-1.0	-60.20	362.51	-0.04	-60.24
CC1=C([O-])N=C(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)S1	REAL300034039377	1	39	-1.0	-60.20	362.51	-0.04	-60.24
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC(=O)C=C(Cl)N3)C2)C1	REAL300034039391	0	39	-1.0	-54.09	365.54	3.01	-51.08
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C2)C1	REAL300034039391	1	39	-1.0	-54.09	365.54	3.01	-51.08
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC(=O)N([O-])C=C3)C2)C1	REAL300034039410	0	40	-1.0	-76.46	357.69	3.30	-73.16
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=CC(=O)N3[O-])C2)C1	REAL300034039445	0	40	-1.0	-93.90	354.08	4.20	-89.70
NC1=NC([O-])=C(CC(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)S1	REAL300034039575	0	41	-1.0	-75.34	380.39	-1.34	-76.68
O=C(CC1=NC([O-])=CS1)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034039623	0	39	-1.0	-79.15	364.56	-0.52	-79.67
CCC1=NC=C(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)N1	REAL300034039641	0	44	-1.0	-64.32	390.31	1.84	-62.48
CCC1=NC=C(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)[N-]1	REAL300034039641	1	44	-1.0	-64.32	390.31	1.84	-62.48
CC1=CC(=O)C(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=N[N-]1	REAL300034039869	0	41	-1.0	-60.69	364.33	3.39	-57.30
O=C(C1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034039884	0	36	-1.0	-61.30	330.50	-1.87	-63.17
O=C(C1=CN=C(C=N[O-])S1)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034040001	0	39	-1.0	-71.57	369.36	0.87	-70.70
COC1=NC(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=CC(=O)[N-]1	REAL300034040016	0	42	-1.0	-63.34	375.01	-2.15	-65.49
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300034040273	1	39	-1.0	-70.96	347.53	3.19	-67.77
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300034040400	0	38	-1.0	-63.50	347.13	-2.46	-65.96
O=C(CN1C(=O)[N-]NC1=O)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034040572	0	40	-1.0	-62.91	364.66	-0.78	-63.69
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC(Cl)=CC=C3[O-])C2)C1	REAL300034041993	1	40	-1.0	-67.83	367.97	4.65	-63.18
N#CC1=CC([O-])=CC(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=C1	REAL300034042018	1	41	-1.0	-55.74	372.07	3.14	-52.60
CCC1=NC=C(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)[N-]1	REAL300034042106	1	44	-1.0	-64.32	390.31	1.84	-62.48
O=C(C1=COC(=O)[N-]1)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034042125	1	36	-1.0	-57.95	331.94	-0.93	-58.88
O=C(C[N-]C(=O)C(F)(F)F)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034042195	0	39	-1.0	-56.72	369.11	-0.49	-57.21
NC1=NC([O-])=C(CC(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)S1	REAL300034042196	0	41	-1.0	-75.34	380.39	-1.34	-76.68
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=C(F)C=C([O-])C=C3F)C2)C1	REAL300034042206	0	40	-1.0	-56.60	372.24	3.08	-53.52
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=C([O-])C=C3F)C2)C1	REAL300034042221	1	40	-1.0	-62.20	359.32	2.89	-59.31
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC([O-])=CC(=O)O3)C2)C1	REAL300034042227	0	39	-1.0	-59.82	356.62	2.28	-57.54
N#CC1=CC=C(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)C=C1[O-]	REAL300034042234	1	41	-1.0	-67.42	371.85	3.18	-64.24
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC(Cl)=NC=C3[O-])C2)C1	REAL300034042237	0	39	-1.0	-65.24	360.42	2.89	-62.35
O=C(CN1N=CC(=O)[N-]C1=O)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034042255	0	41	-1.0	-67.38	375.08	-1.93	-69.31
CC1=CC=C([O-])C(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=N1	REAL300034042318	1	42	-1.0	-69.93	370.03	3.82	-66.11
O=C(CCC1=NC(=O)[N-]N1)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034042320	1	42	-1.0	-67.88	374.86	-0.62	-68.50
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300034042336	0	38	-1.0	-59.88	339.57	2.38	-57.50
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=CC(F)=C3[O-])C2)C1	REAL300034042345	0	40	-1.0	-77.32	357.24	4.29	-73.03
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=CC([O-])=C3F)C2)C1	REAL300034042441	1	40	-1.0	-74.92	357.55	2.78	-72.14
O=C(C1=CC(=O)N[N-]1)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034042549	0	37	-1.0	-57.22	335.88	-0.42	-57.64
C[PH](C)([O-])C(=O)C(=O)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034042555	0	42	-1.0	-56.55	374.29	0.78	-55.77
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC(=O)N([O-])C=C3)C2)C1	REAL300034042651	0	40	-1.0	-76.46	357.69	3.30	-73.16
O=C(C1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034042676	0	36	-1.0	-61.30	330.50	-1.87	-63.17
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=C(O)C=CC=C3Cl)C2)C1	REAL300034042679	0	40	-1.0	-63.50	375.18	3.45	-60.05
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=C([O-])C=CC=C3Cl)C2)C1	REAL300034042679	1	40	-1.0	-63.50	375.18	3.45	-60.05
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=CN([O-])C3=O)C2)C1	REAL300034042683	0	40	-1.0	-80.52	365.53	3.63	-76.89
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=C(F)C=CC(O)=C3F)C2)C1	REAL300034042712	0	40	-1.0	-62.24	371.13	2.99	-59.25
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=C(F)C=CC([O-])=C3F)C2)C1	REAL300034042712	1	40	-1.0	-62.24	371.13	2.99	-59.25
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC(F)=CC=C3O)C2)C1	REAL300034042856	0	40	-1.0	-67.07	357.65	4.21	-62.86
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC(F)=CC=C3[O-])C2)C1	REAL300034042856	1	40	-1.0	-67.07	357.65	4.21	-62.86
CC1=CC=NC(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=C1O	REAL300034042921	0	42	-1.0	-70.50	367.85	3.88	-66.62
CC1=CC=NC(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=C1[O-]	REAL300034042921	1	42	-1.0	-70.50	367.85	3.88	-66.62
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CN=CC([O-])=C3)C2)C1	REAL300034043036	1	39	-1.0	-58.79	346.71	0.96	-57.83
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=CC(=S)N3[O-])C2)C1	REAL300034043046	0	40	-1.0	-97.75	365.19	5.26	-92.49
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=C([O-])C(Cl)=N3)C2)C1	REAL300034043158	0	39	-1.0	-52.61	365.84	1.99	-50.62
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=C([O-])C=C3Cl)C2)C1	REAL300034043200	1	40	-1.0	-60.67	367.87	3.34	-57.33
O=C(CC1=NC([O-])=CS1)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034043211	0	39	-1.0	-79.15	364.56	-0.52	-79.67
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=C([O-])C=CC=C3F)C2)C1	REAL300034043226	0	40	-1.0	-64.48	365.69	3.08	-61.40
O=C(CN1[N-]C(=O)C=CC1=O)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034043228	0	42	-1.0	-63.59	380.85	0.18	-63.41
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=C(F)C=C3[O-])C2)C1	REAL300034043229	0	40	-1.0	-69.02	359.11	4.30	-64.72
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034043266	0	43	-1.0	-68.81	384.21	3.58	-65.23
O=C(CC1SC(=O)[N-]C1=O)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034043335	0	40	-1.0	-56.78	372.30	-1.30	-58.08
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=C([O-])C(F)=C3F)C2)C1	REAL300034043360	0	40	-1.0	-64.11	363.90	2.81	-61.30
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=CC(Cl)=C3[O-])C2)C1	REAL300034043367	0	40	-1.0	-71.46	367.05	4.76	-66.70
CC1=CC(=O)C(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=N[N-]1	REAL300034043396	0	41	-1.0	-60.69	364.33	3.39	-57.30
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=CC(=O)N3[O-])C2)C1	REAL300034043421	0	40	-1.0	-93.90	354.08	4.20	-89.70
N#CC1=CC=C(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)[N-]1	REAL300034043451	0	40	-1.0	-61.16	375.30	1.23	-59.93
CN1N=C(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)[N-]C1=O	REAL300034043500	0	39	-1.0	-64.51	353.33	-0.22	-64.73
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=C(F)C=CC(O)=C3O)C2)C1	REAL300034043553	0	41	-1.0	-65.43	375.50	1.09	-64.34
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=C(F)C=CC(O)=C3[O-])C2)C1	REAL300034043553	1	41	-1.0	-65.43	375.50	1.09	-64.34
N#CC1=CC=C([O-])C(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=C1	REAL300034043562	0	41	-1.0	-63.76	372.72	4.54	-59.22
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CN([O-])C(=O)NC3=O)C2)C1	REAL300034043656	0	40	-1.0	-60.94	359.87	1.92	-59.02
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=C(F)C(O)=C3)C2)C1	REAL300034043709	0	40	-1.0	-62.10	357.90	2.80	-59.30
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=C(F)C([O-])=C3)C2)C1	REAL300034043709	1	40	-1.0	-62.10	357.90	2.80	-59.30
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=C(Cl)C=C3O)C2)C1	REAL300034043728	0	40	-1.0	-68.66	369.42	4.74	-63.92
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=C(Cl)C=C3[O-])C2)C1	REAL300034043728	1	40	-1.0	-68.66	369.42	4.74	-63.92
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300034043798	0	38	-1.0	-57.86	348.67	-3.17	-61.03
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1	REAL300034043798	1	38	-1.0	-53.08	349.27	-2.37	-55.45
NC1=NC=C(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)[N-]1	REAL300034043858	1	40	-1.0	-64.71	363.68	0.17	-64.54
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=C(F)C([O-])=C3F)C2)C1	REAL300034043893	0	40	-1.0	-74.37	363.86	2.80	-71.57
COC1=NC(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=CC(=O)[N-]1	REAL300034043938	0	42	-1.0	-63.34	375.01	-2.15	-65.49
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=NC=CC(Cl)=C3[O-])C2)C1	REAL300034043948	0	39	-1.0	-67.06	363.73	3.70	-63.36
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=C(Cl)C([O-])=C3)C2)C1	REAL300034043986	0	40	-1.0	-58.23	367.71	3.28	-54.95
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=NC=C3[O-])C2)C1	REAL300034043995	0	39	-1.0	-70.23	344.31	2.61	-67.62
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034044001	0	36	-1.0	-62.74	331.80	-0.02	-62.76
CC1=C([O-])N=C(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)S1	REAL300034044024	1	39	-1.0	-60.20	362.51	-0.04	-60.24
O=C(C(=O)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1)C1=CC=C([O-])C=C1	REAL300034044118	1	42	-1.0	-60.88	374.29	2.91	-57.97
O=C(C1=CN=C(C=N[O-])S1)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034044139	0	39	-1.0	-71.57	369.36	0.87	-70.70
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C2)C1	REAL300034044163	1	39	-1.0	-54.09	365.54	3.01	-51.08
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300034044185	0	40	-1.0	-57.57	357.93	-1.67	-59.24
CCN1[N-]C(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300034044246	0	43	-1.0	-61.52	381.14	2.37	-59.15
CN1[N-]C(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300034044267	0	40	-1.0	-60.75	359.33	1.43	-59.32
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034044277	0	40	-1.0	-61.97	375.97	-0.54	-62.51
O=C(CC1=CC(=O)N[N-]1)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034044413	1	40	-1.0	-65.58	359.66	0.27	-65.31
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=C([O-])C(F)=C3)C2)C1	REAL300034044418	1	40	-1.0	-62.78	357.86	2.85	-59.93
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC(F)=C([O-])C(F)=C3)C2)C1	REAL300034044465	0	40	-1.0	-63.79	363.59	2.91	-60.88
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CC=NC(Cl)=C3[O-])C2)C1	REAL300034044470	0	39	-1.0	-68.08	360.24	2.93	-65.15
CC1=C(CC(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)N(C)[N-]1	REAL300034044485	0	46	-1.0	-68.02	401.69	2.59	-65.43
CC1=CN=C(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)C([O-])=C1	REAL300034044521	1	42	-1.0	-72.40	368.97	3.82	-68.58
O=C(C1=CC([O-])=CS1)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034044544	0	37	-1.0	-69.41	343.14	1.73	-67.68
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CN([O-])C(=O)C=C3)C2)C1	REAL300034044560	0	40	-1.0	-75.54	356.90	3.24	-72.30
CN1[N-]C(C(=O)N2CC(C3CN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300034044725	0	40	-1.0	-60.75	359.33	1.43	-59.32
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034044732	0	40	-1.0	-61.97	375.97	-0.54	-62.51
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300034044894	0	38	-1.0	-57.86	348.67	-3.17	-61.03
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1	REAL300034044894	1	38	-1.0	-53.08	349.27	-2.37	-55.45
O=C(CN1[N-]C(=O)C=CC1=O)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034045045	0	42	-1.0	-63.59	380.85	0.18	-63.41
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034045053	0	36	-1.0	-62.74	331.80	-0.02	-62.76
O=C(C1=NSNC1=O)N1CC(C2CN(C(=O)C3=CN([O-])C(=O)NC3=O)C2)C1	REAL300034045066	0	40	-1.0	-60.94	359.87	1.92	-59.02
O=C(NCC1C2CCC(CC2)N1C(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300034045825	1	42	-1.0	-65.70	346.26	-0.39	-66.09
O=C(CC1=CC(=O)N[N-]1)NCC1C2CCC(CC2)N1C(=O)C1=NSNC1=O	REAL300034045903	1	46	-1.0	-62.48	372.66	1.16	-61.32
CN1N=C(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=NSNC2=O)[N-]C1=O	REAL300034045912	0	45	-1.0	-68.19	368.82	0.96	-67.23
O=C(NCC1C2CCC(CC2)N1C(=O)C1=NSNC1=O)C1=C[N-]N=CC1=O	REAL300034045944	0	44	-1.0	-53.44	357.90	2.10	-51.34
O=C(NCC1C2CCC(CC2)N1C(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300034045978	0	43	-1.0	-62.67	351.25	0.74	-61.93
O=C(NCC1C2CCC(CC2)N1C(=O)C1=NSNC1=O)C1=NC(=O)N[N-]1	REAL300034046149	0	42	-1.0	-64.66	346.09	-0.55	-65.21
O=C(NCC1C2CCC(CC2)N1C(=O)C1=NC=CC=C1[O-])C1=NSNC1=O	REAL300034046443	1	45	-1.0	-62.37	368.04	3.72	-58.65
O=C(NCC1C2CCC(CC2)N1C(=O)C1=COC(=O)[N-]1)C1=NSNC1=O	REAL300034046918	1	42	-1.0	-53.77	348.20	0.75	-53.02
O=C(NCC1C2CCC(CC2)N1C(=O)C1=C[N-]N=CC1=O)C1=NSNC1=O	REAL300034046989	0	44	-1.0	-43.94	353.99	2.56	-41.38
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)N[N-]1)C1=NSNC1=O	REAL300034047048	0	43	-1.0	-54.53	353.59	0.70	-53.83
O=C(NCC1C2CCC(CC2)N1C(=O)C1=NC(=O)N[N-]1)C1=NSNC1=O	REAL300034047082	0	42	-1.0	-52.04	346.03	0.32	-51.72
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CN=CC([O-])=C1)C1=NSNC1=O	REAL300034047190	1	45	-1.0	-59.13	368.22	1.96	-57.17
CN1N=C(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=NSNC2=O)[N-]C1=O	REAL300034047298	0	45	-1.0	-58.48	368.57	1.12	-57.36
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC=NC=C1[O-])C1=NSNC1=O	REAL300034047428	0	45	-1.0	-70.50	359.53	2.57	-67.93
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1=NSNC1=O	REAL300034047431	0	42	-1.0	-58.72	347.96	0.79	-57.93
CN1[N-]C(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300034047518	0	46	-1.0	-54.92	373.87	2.63	-52.29
O=C(CC1=CC(=O)N[N-]1)N1C2CCC(CC2)C1CNC(=O)C1=NSNC1=O	REAL300034047564	1	46	-1.0	-68.59	376.96	0.44	-68.15
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC([O-])=CS1)C1=NSNC1=O	REAL300034047608	0	43	-1.0	-62.30	361.51	2.54	-59.76
CN1[N-]C(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=NSNC2=O)=CC1=O	REAL300034047667	0	46	-1.0	-65.44	374.31	2.45	-62.99
O=C(NCC1C2CCC(CC2)N1C(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300034047776	0	42	-1.0	-65.18	345.83	1.08	-64.10
CN1[N-]C(C(=O)N2CCC(O)(CCNC(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300034049980	0	46	-1.0	-57.16	384.96	-1.73	-58.89
O=C(CC1=CC(=O)N[N-]1)N1CCC(O)(CCNC(=O)C2=NSNC2=O)CC1	REAL300034050019	1	46	-1.0	-63.27	386.09	-3.05	-66.32
O=C(NCCC1(O)CCN(C(=O)C2=CC([O-])=CS2)CC1)C1=NSNC1=O	REAL300034050057	0	43	-1.0	-64.90	372.66	-1.58	-66.48
CN1[N-]C(C(=O)NCCC2(O)CCN(C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300034050109	0	46	-1.0	-54.12	385.21	-1.83	-55.95
O=C(NCCC1(O)CCN(C(=O)C2=NSNC2=O)CC1)C1=CC(=O)[N-]O1	REAL300034050201	0	42	-1.0	-58.36	357.37	-2.98	-61.34
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300034051364	0	40	-1.0	-73.73	346.19	-1.75	-75.48
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)CN1C(=O)[N-]NC1=O	REAL300034051448	0	42	-1.0	-77.84	364.09	-0.30	-78.14
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300034052039	0	42	-1.0	-86.51	356.18	3.82	-82.69
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300034052153	0	42	-1.0	-57.60	368.32	-0.84	-58.44
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=COC(=O)[N-]1	REAL300034052164	1	38	-1.0	-59.09	332.51	0.53	-58.56
CCN1[N-]C(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034052334	0	45	-1.0	-61.83	381.93	3.09	-58.74
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)CC1=CC(=O)N[N-]1	REAL300034052342	1	42	-1.0	-76.43	358.03	0.78	-75.65
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=CC(=S)N1[O-]	REAL300034052360	0	42	-1.0	-71.89	372.82	4.52	-67.37
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)CC1SC(=O)[N-]C1=O	REAL300034052369	0	42	-1.0	-55.15	372.57	-0.75	-55.90
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300034052385	0	41	-1.0	-64.87	354.05	0.51	-64.36
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CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300034052578	0	44	-1.0	-57.75	370.71	1.54	-56.21
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CC1SC(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300034052637	0	41	-1.0	-64.53	363.34	1.12	-63.41
CC1=C([O-])N=C(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)C2)S1	REAL300034052637	1	41	-1.0	-64.53	363.34	1.12	-63.41
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(=O)C=C(Cl)N1	REAL300034052651	0	41	-1.0	-54.76	366.51	3.95	-50.81
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300034052651	1	41	-1.0	-54.76	366.51	3.95	-50.81
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300034052668	0	42	-1.0	-80.64	365.52	4.09	-76.55
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300034052701	0	42	-1.0	-69.32	361.73	3.89	-65.43
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)CC1=C([O-])N=C(N)S1	REAL300034052824	0	43	-1.0	-72.74	379.79	-0.84	-73.58
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)CC1=NC([O-])=CS1	REAL300034052869	0	41	-1.0	-76.52	364.98	0.03	-76.49
CCC1=NC=C(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300034052887	0	46	-1.0	-62.05	392.47	2.25	-59.80
CCC1=NC=C(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300034052887	1	46	-1.0	-62.05	392.47	2.25	-59.80
CC1=CC(=O)C(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300034053098	0	43	-1.0	-61.03	365.29	4.14	-56.89
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=NNC(=O)[N-]1	REAL300034053113	0	38	-1.0	-71.59	329.18	-1.03	-72.62
CN(CC1CCN(C(=O)C2=NSNC2=O)C1)C(=O)C1=CN=C(C=N[O-])S1	REAL300034053224	0	41	-1.0	-81.10	368.06	1.26	-79.84
COC1=NC(C(=O)N(C)CC2CCN(C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300034053237	0	44	-1.0	-62.97	375.69	-0.98	-63.95
CN(CC1CCN(C(=O)C2=NC=CC=C2[O-])C1)C(=O)C1=NSNC1=O	REAL300034053493	1	41	-1.0	-80.47	346.78	4.08	-76.39
CN(CC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C(=O)C1=NSNC1=O	REAL300034053616	0	40	-1.0	-59.90	349.36	-1.62	-61.52
CN(CC1CCN(C(=O)CN2C(=O)[N-]NC2=O)C1)C(=O)C1=NSNC1=O	REAL300034053776	0	42	-1.0	-58.75	364.04	-0.16	-58.91
CN(CC1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C(=O)C1=NSNC1=O	REAL300034055095	1	42	-1.0	-64.54	372.61	4.92	-59.62
CN(CC1CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1)C(=O)C1=NSNC1=O	REAL300034055120	1	43	-1.0	-67.36	370.43	3.58	-63.78
CCC1=NC=C(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300034055203	1	46	-1.0	-69.08	390.83	2.33	-66.75
CN(CC1CCN(C(=O)C2=COC(=O)[N-]2)C1)C(=O)C1=NSNC1=O	REAL300034055221	1	38	-1.0	-55.86	332.39	0.20	-55.66
CN(CC1CCN(C(=O)C[N-]C(=O)C(F)(F)F)C1)C(=O)C1=NSNC1=O	REAL300034055288	0	41	-1.0	-63.65	368.70	0.06	-63.59
CN(CC1CCN(C(=O)CC2=C([O-])N=C(N)S2)C1)C(=O)C1=NSNC1=O	REAL300034055289	0	43	-1.0	-72.84	379.67	-0.69	-73.53
CN(CC1CCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C(=O)C1=NSNC1=O	REAL300034055298	0	42	-1.0	-53.95	374.66	3.77	-50.18
CN(CC1CCN(C(=O)C2=CC=C([O-])C=C2F)C1)C(=O)C1=NSNC1=O	REAL300034055313	1	42	-1.0	-59.12	361.88	3.47	-55.65
CN(CC1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C(=O)C1=NSNC1=O	REAL300034055319	0	41	-1.0	-55.89	357.25	2.89	-53.00
CN(CC1CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1)C(=O)C1=NSNC1=O	REAL300034055326	1	43	-1.0	-55.19	371.89	3.72	-51.47
CN(CC1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C(=O)C1=NSNC1=O	REAL300034055329	0	41	-1.0	-67.92	365.57	2.92	-65.00
CN(CC1CCN(C(=O)CN2N=CC(=O)[N-]C2=O)C1)C(=O)C1=NSNC1=O	REAL300034055345	0	43	-1.0	-63.68	373.68	-1.27	-64.95
CC1=CC=C([O-])C(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)C2)=N1	REAL300034055405	1	44	-1.0	-68.72	370.91	4.73	-63.99
CN(CC1CCN(C(=O)C2=C[N-]N=CC2=O)C1)C(=O)C1=NSNC1=O	REAL300034055423	0	40	-1.0	-52.34	351.41	2.08	-50.26
CN(CC1CCN(C(=O)C2=CC=CC(F)=C2[O-])C1)C(=O)C1=NSNC1=O	REAL300034055432	0	42	-1.0	-81.12	360.29	4.22	-76.90
CN(CC1CCN(C(=O)C2=CC=CC([O-])=C2F)C1)C(=O)C1=NSNC1=O	REAL300034055518	1	42	-1.0	-75.83	360.55	3.41	-72.42
CN(CC1CCN(C(=O)C2=CC(=O)N[N-]2)C1)C(=O)C1=NSNC1=O	REAL300034055616	0	39	-1.0	-62.62	335.13	0.36	-62.26
CN(CC1CCN(C(=O)C(=O)[PH](C)(C)[O-])C1)C(=O)C1=NSNC1=O	REAL300034055622	0	44	-1.0	-55.74	370.79	1.68	-54.06
CN(CC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C(=O)C1=NSNC1=O	REAL300034055709	0	42	-1.0	-73.00	366.46	4.14	-68.86
CN(CC1CCN(C(=O)C2=NNC(=O)[N-]2)C1)C(=O)C1=NSNC1=O	REAL300034055733	0	38	-1.0	-66.84	330.01	-1.15	-67.99
CN(CC1CCN(C(=O)C2=C(O)C=CC=C2Cl)C1)C(=O)C1=NSNC1=O	REAL300034055736	0	42	-1.0	-75.56	374.62	4.09	-71.47
CN(CC1CCN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C(=O)C1=NSNC1=O	REAL300034055736	1	42	-1.0	-75.56	374.62	4.09	-71.47
CN(CC1CCN(C(=O)C2=CC=CN([O-])C2=O)C1)C(=O)C1=NSNC1=O	REAL300034055740	0	42	-1.0	-82.95	366.05	4.11	-78.84
CN(CC1CCN(C(=O)C2=C(F)C=CC(O)=C2F)C1)C(=O)C1=NSNC1=O	REAL300034055769	0	42	-1.0	-69.26	371.47	3.67	-65.59
CN(CC1CCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C(=O)C1=NSNC1=O	REAL300034055769	1	42	-1.0	-69.26	371.47	3.67	-65.59
CN(CC1CCN(C(=O)C2=CC(F)=CC=C2O)C1)C(=O)C1=NSNC1=O	REAL300034055904	0	42	-1.0	-63.87	362.29	4.49	-59.38
CN(CC1CCN(C(=O)C2=CC(F)=CC=C2[O-])C1)C(=O)C1=NSNC1=O	REAL300034055904	1	42	-1.0	-63.87	362.29	4.49	-59.38
CC1=CC=NC(C(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300034055967	1	44	-1.0	-67.60	369.64	4.84	-62.76
CN(CC1CCN(C(=O)C2=CN=CC([O-])=C2)C1)C(=O)C1=NSNC1=O	REAL300034056071	1	41	-1.0	-59.99	345.06	1.44	-58.55
CN(CC1CCN(C(=O)C2=CC=CC(=S)N2[O-])C1)C(=O)C1=NSNC1=O	REAL300034056081	0	42	-1.0	-84.67	377.06	4.57	-80.10
CN(CC1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C(=O)C1=NSNC1=O	REAL300034056188	0	41	-1.0	-52.47	367.18	2.97	-49.50
CN(CC1CCN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C(=O)C1=NSNC1=O	REAL300034056226	1	42	-1.0	-57.80	370.63	3.91	-53.89
CN(CC1CCN(C(=O)CC2=NC([O-])=CS2)C1)C(=O)C1=NSNC1=O	REAL300034056237	0	41	-1.0	-72.13	364.18	0.20	-71.93
CN(CC1CCN(C(=O)C2=C([O-])C=CC=C2F)C1)C(=O)C1=NSNC1=O	REAL300034056252	0	42	-1.0	-73.06	365.13	3.71	-69.35
CN(CC1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1)C(=O)C1=NSNC1=O	REAL300034056254	0	44	-1.0	-59.08	380.16	0.82	-58.26
CN(CC1CCN(C(=O)C2=CC=C(F)C=C2[O-])C1)C(=O)C1=NSNC1=O	REAL300034056255	0	42	-1.0	-67.52	361.65	4.27	-63.25
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC(CN(C)C(=O)C2=NSNC2=O)C1	REAL300034056285	0	45	-1.0	-65.41	386.64	4.33	-61.08
CN(CC1CCN(C(=O)CC2SC(=O)[N-]C2=O)C1)C(=O)C1=NSNC1=O	REAL300034056347	0	42	-1.0	-51.34	372.59	-0.58	-51.92
CN(CC1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C(=O)C1=NSNC1=O	REAL300034056372	0	42	-1.0	-60.82	368.82	3.56	-57.26
CN(CC1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C(=O)C1=NSNC1=O	REAL300034056378	0	42	-1.0	-75.76	370.09	4.70	-71.06
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CN(CC1CCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C(=O)C1=NSNC1=O	REAL300034056431	0	42	-1.0	-82.85	365.96	3.93	-78.92
CN(CC1CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1)C(=O)C1=NSNC1=O	REAL300034056459	0	42	-1.0	-55.55	377.45	1.91	-53.64
CN(CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)C1)C(=O)C1=NSNC1=O	REAL300034056505	0	41	-1.0	-70.24	352.77	0.51	-69.73
CN(CC1CCN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C(=O)C1=NSNC1=O	REAL300034056554	0	43	-1.0	-74.04	375.85	1.77	-72.27
CN(CC1CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C(=O)C1=NSNC1=O	REAL300034056554	1	43	-1.0	-74.04	375.85	1.77	-72.27
CN(CC1CCN(C(=O)C2=CC(C#N)=CC=C2[O-])C1)C(=O)C1=NSNC1=O	REAL300034056563	0	43	-1.0	-60.83	376.78	4.85	-55.98
CN(CC1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C(=O)C1=NSNC1=O	REAL300034056646	0	42	-1.0	-63.52	371.16	1.54	-61.98
CN(CC1CCN(C(=O)C2=CC=C(F)C(O)=C2)C1)C(=O)C1=NSNC1=O	REAL300034056697	0	42	-1.0	-62.76	356.34	3.26	-59.50
CN(CC1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C(=O)C1=NSNC1=O	REAL300034056697	1	42	-1.0	-62.76	356.34	3.26	-59.50
CN(CC1CCN(C(=O)C2=CC=C(Cl)C=C2O)C1)C(=O)C1=NSNC1=O	REAL300034056715	0	42	-1.0	-67.23	371.96	4.72	-62.51
CN(CC1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C(=O)C1=NSNC1=O	REAL300034056715	1	42	-1.0	-67.23	371.96	4.72	-62.51
CN(CC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C(=O)C1=NSNC1=O	REAL300034056782	0	40	-1.0	-59.37	347.93	-2.12	-61.49
CN(CC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C(=O)C1=NSNC1=O	REAL300034056782	1	40	-1.0	-51.85	351.47	-1.29	-53.14
CN(CC1CCN(C(=O)C2=CN=C(N)[N-]C2=O)C1)C(=O)C1=NSNC1=O	REAL300034056836	1	42	-1.0	-60.35	365.89	0.76	-59.59
CN(CC1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1)C(=O)C1=NSNC1=O	REAL300034056869	0	42	-1.0	-69.81	368.77	3.54	-66.27
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CN(CC1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C(=O)C1=NSNC1=O	REAL300034056920	0	41	-1.0	-64.09	365.08	4.66	-59.43
CN(CC1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1)C(=O)C1=NSNC1=O	REAL300034056958	0	42	-1.0	-59.55	366.15	3.75	-55.80
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CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NSNC1=O	REAL300034056973	0	38	-1.0	-59.30	332.75	0.64	-58.66
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CN(CC1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C(=O)C1=NSNC1=O	REAL300034057087	1	44	-1.0	-56.95	375.94	3.63	-53.32
CN(CC1CCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C(=O)C1=NSNC1=O	REAL300034057106	0	41	-1.0	-73.77	368.00	1.50	-72.27
CN(CC1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C(=O)C1=NSNC1=O	REAL300034057127	1	41	-1.0	-52.32	366.86	3.97	-48.35
CN(CC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C(=O)C1=NSNC1=O	REAL300034057147	0	42	-1.0	-53.33	368.11	-0.71	-54.04
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CN(CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1)C(=O)C1=NSNC1=O	REAL300034057223	0	42	-1.0	-58.25	360.39	2.15	-56.10
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=NSNC1=O	REAL300034057233	0	42	-1.0	-64.96	375.56	0.06	-64.90
CN(CC1CCN(C(=O)CC2=CC(=O)N[N-]2)C1)C(=O)C1=NSNC1=O	REAL300034057360	1	42	-1.0	-60.75	359.04	0.91	-59.84
CN(CC1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C(=O)C1=NSNC1=O	REAL300034057365	1	42	-1.0	-64.80	356.27	3.30	-61.50
CN(CC1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C(=O)C1=NSNC1=O	REAL300034057411	0	42	-1.0	-65.36	362.97	3.38	-61.98
CN(CC1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C(=O)C1=NSNC1=O	REAL300034057416	0	41	-1.0	-72.17	364.91	2.93	-69.24
CC1=C(CC(=O)N2CCC(CN(C)C(=O)C3=NSNC3=O)C2)C(=O)N(C)[N-]1	REAL300034057431	0	48	-1.0	-62.01	401.91	3.31	-58.70
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CN1[N-]C(C(=O)N2CC3CCCC2C3CNC(=O)C2=NSNC2=O)=CC1=O	REAL300034077992	0	46	-1.0	-64.56	382.96	1.99	-62.57
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CN1[N-]C(C(=O)NCC2C3CN(C(=O)C4=NSNC4=O)C2CCC3)=CC1=O	REAL300034078120	0	46	-1.0	-54.62	375.10	1.68	-52.94
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CC1CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CN1C(=O)C1=NSNC1=O	REAL300034078739	1	44	-1.0	-44.98	376.96	1.41	-43.57
CC1CC(NC(=O)CCCN2C(=O)[N-]NC2=O)CN1C(=O)C1=NSNC1=O	REAL300034079378	0	45	-1.0	-56.50	388.77	-0.87	-57.37
CC1CC(NC(=O)CCC2=NNC(=O)[N-]C2=O)CN1C(=O)C1=NSNC1=O	REAL300034079594	0	43	-1.0	-55.66	376.48	-3.60	-59.26
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CC1CC(NC(=O)CCN2C=C[N-]C(=O)C2=O)CN1C(=O)C1=NSNC1=O	REAL300034079753	1	44	-1.0	-59.35	382.22	0.55	-58.80
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CC1CC(NC(=O)C2=NNC(=O)[N-]C2=O)CN1C(=O)C1=NSNC1=O	REAL300034079976	0	37	-1.0	-51.99	330.81	-3.92	-55.91
CC1CC(NC(=O)CN2C(=O)[N-]NC2=O)CN1C(=O)C1=NSNC1=O	REAL300034080093	0	39	-1.0	-52.55	345.07	-2.23	-54.78
CC1CC(NC(=O)C2=CN([O-])C(=O)C=C2)CN1C(=O)C1=NSNC1=O	REAL300034080951	0	39	-1.0	-68.15	343.22	2.42	-65.73
CC1CC(NC(=O)C[N-]C(=O)C(F)(F)F)CN1C(=O)C1=NSNC1=O	REAL300034082044	0	38	-1.0	-47.40	350.70	-1.78	-49.18
CC1CC(NC(=O)CC2=C([O-])N=C(N)S2)CN1C(=O)C1=NSNC1=O	REAL300034082045	0	40	-1.0	-63.70	361.91	-2.63	-66.33
CC1CC(NC(=O)CC2=NC([O-])=CS2)CN1C(=O)C1=NSNC1=O	REAL300034082105	0	38	-1.0	-69.39	345.92	-1.90	-71.29
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CC1CC(NC(=O)CN2N=CC(=O)[N-]C2=O)CN1C(=O)C1=NSNC1=O	REAL300034082142	0	40	-1.0	-58.30	356.60	-3.19	-61.49
CC1CC(NC(=O)C2=C(Cl)C(=O)[N-]S2)CN1C(=O)C1=NSNC1=O	REAL300034082219	0	35	-1.0	-48.94	337.05	-0.53	-49.47
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CC1CC(NC(=O)C2=NNC(=O)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300034082446	0	35	-1.0	-50.23	313.74	-3.30	-53.53
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CC1CC(NC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CN1C(=O)C1=NSNC1=O	REAL300034082471	1	40	-1.0	-50.11	357.78	1.35	-48.76
CC1CC(NC(=O)C2=CN=C(C=N[O-])S2)CN1C(=O)C1=NSNC1=O	REAL300034082609	0	38	-1.0	-64.02	356.03	-0.10	-64.12
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=NC=CC=C1O	REAL300034082888	0	38	-1.0	-66.58	331.03	1.79	-64.79
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=NC=CC=C1[O-]	REAL300034082888	1	38	-1.0	-66.58	331.03	1.79	-64.79
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300034083001	1	44	-1.0	-63.99	385.46	0.27	-63.72
CC(=O)[N-]C1=NC(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC2C)=CS1	REAL300034083011	1	41	-1.0	-57.21	370.99	0.15	-57.06
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300034083036	0	37	-1.0	-62.02	332.11	-3.82	-65.84
COC1=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC2C)NC(=O)[N-]C1=O	REAL300034083083	1	42	-1.0	-63.69	365.99	-2.64	-66.33
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)CN1C(=O)[N-]NC1=O	REAL300034083227	0	39	-1.0	-58.23	350.04	-2.34	-60.57
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)CCCN1C(=O)[N-]NC1=O	REAL300034084057	0	45	-1.0	-60.30	392.03	-1.13	-61.43
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300034084239	1	44	-1.0	-62.91	384.88	0.77	-62.14
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300034084925	0	43	-1.0	-58.96	379.71	-3.86	-62.82
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300034084933	0	41	-1.0	-59.14	363.94	3.02	-56.12
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300034084947	1	39	-1.0	-61.15	353.32	2.71	-58.44
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300034086963	1	44	-1.0	-87.08	371.38	2.94	-84.14
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300034086966	0	41	-1.0	-58.53	364.72	2.88	-55.65
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300034086969	0	41	-1.0	-55.69	364.73	2.87	-52.82
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300034086979	1	39	-1.0	-61.98	353.29	2.73	-59.25
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300034086993	0	41	-1.0	-53.03	359.45	1.60	-51.43
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300034087058	0	37	-1.0	-54.80	332.81	-3.51	-58.31
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300034087058	1	37	-1.0	-54.80	332.81	-3.51	-58.31
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300034087084	0	41	-1.0	-63.27	360.13	0.22	-63.05
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=C(O)C2=CC=CC=C2C=N1	REAL300034087120	0	44	-1.0	-73.83	378.02	4.32	-69.51
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300034087120	1	44	-1.0	-73.83	378.02	4.32	-69.51
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300034087121	0	35	-1.0	-57.89	334.74	-0.93	-58.82
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CN=C(N)NC1=O	REAL300034087138	0	39	-1.0	-71.21	348.86	-1.43	-72.64
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300034087138	1	39	-1.0	-71.21	348.86	-1.43	-72.64
CC1=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC2C)[N-]C(=O)C(C#N)=C1	REAL300034087166	0	42	-1.0	-57.97	370.74	1.57	-56.40
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300034087237	0	40	-1.0	-56.97	366.67	0.99	-55.98
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300034087237	1	40	-1.0	-56.97	366.67	0.99	-55.98
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300034087245	0	41	-1.0	-54.76	358.38	-0.33	-55.09
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300034087253	0	38	-1.0	-65.26	348.73	2.47	-62.79
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)CC1=CC=C(O)C(Cl)=C1	REAL300034087259	0	42	-1.0	-62.90	380.41	2.84	-60.06
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300034087259	1	42	-1.0	-62.90	380.41	2.84	-60.06
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300034087309	0	35	-1.0	-64.05	315.64	-1.55	-65.60
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=NC(=O)C(C)S1	REAL300034087339	0	38	-1.0	-68.82	347.59	-1.04	-69.86
CC1=C([O-])N=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC2C)S1	REAL300034087339	1	38	-1.0	-68.82	347.59	-1.04	-69.86
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=C(O)C2=CC=CC=C2C=C1	REAL300034087402	0	45	-1.0	-80.67	375.56	4.79	-75.88
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300034087402	1	45	-1.0	-80.67	375.56	4.79	-75.88
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC2=CC=CC=C2C=C1O	REAL300034087410	0	45	-1.0	-85.63	376.87	4.73	-80.90
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300034087410	1	45	-1.0	-85.63	376.87	4.73	-80.90
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C(=O)C1=CC=C(O)C=C1	REAL300034087451	0	41	-1.0	-57.95	357.07	1.40	-56.55
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300034087451	1	41	-1.0	-57.95	357.07	1.40	-56.55
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CN=C(C=N[O-])S1	REAL300034087480	0	38	-1.0	-70.11	354.24	-0.72	-70.83
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)C=C(Cl)N1	REAL300034087509	0	38	-1.0	-55.23	350.50	1.84	-53.39
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300034087509	1	38	-1.0	-55.23	350.50	1.84	-53.39
CSC1=NC=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC2C)C(=O)N1	REAL300034087533	0	41	-1.0	-72.08	376.81	-0.25	-72.33
CSC1=NC=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC2C)C(=O)[N-]1	REAL300034087533	1	41	-1.0	-72.08	376.81	-0.25	-72.33
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300034087540	0	39	-1.0	-54.90	350.07	-2.91	-57.81
CCN1[N-]C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC2C)=CC1=O	REAL300034087614	0	42	-1.0	-62.64	365.47	0.97	-61.67
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300034087631	0	39	-1.0	-58.96	342.12	-0.08	-59.04
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300034087646	0	39	-1.0	-57.80	359.76	-2.07	-59.87
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)CC1=CC(=O)NN1	REAL300034087786	0	39	-1.0	-60.00	344.96	-1.26	-61.26
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)CC1=CC(=O)N[N-]1	REAL300034087786	1	39	-1.0	-60.00	344.96	-1.26	-61.26
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C(O)C(F)=C1	REAL300034087792	0	39	-1.0	-58.21	337.75	1.02	-57.19
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300034087792	1	39	-1.0	-58.21	337.75	1.02	-57.19
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300034087843	0	39	-1.0	-60.06	346.21	1.23	-58.83
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300034087848	0	38	-1.0	-60.15	347.73	0.78	-59.37
CC1=CN=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC2C)C(O)=C1	REAL300034087909	0	41	-1.0	-71.11	354.26	2.61	-68.50
CC1=CN=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)CC2C)C([O-])=C1	REAL300034087909	1	41	-1.0	-71.11	354.26	2.61	-68.50
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CC([O-])=CS1	REAL300034087937	0	36	-1.0	-68.51	328.02	0.11	-68.40
CC1CC(NC(=O)C2=NSNC2=O)CN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300034087955	0	39	-1.0	-68.85	351.94	2.06	-66.79
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300034089454	0	39	-1.0	-49.29	345.44	-3.88	-53.17
O=C(CN1C(=O)[N-]NC1=O)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300034089503	0	41	-1.0	-52.23	362.23	-2.29	-54.52
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=CN([O-])C(=O)C=C3)C2)C1	REAL300034089849	0	41	-1.0	-61.46	354.73	1.76	-59.70
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300034089924	0	41	-1.0	-45.02	355.78	-3.12	-48.14
O=C(C1=COC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300034089935	1	37	-1.0	-49.30	329.33	-2.38	-51.68
CCN1[N-]C(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)CCO3)=CC1=O	REAL300034090040	0	44	-1.0	-48.32	378.70	0.81	-47.51
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300034090047	1	41	-1.0	-56.65	357.22	-1.25	-57.90
CN1N=C(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)CCO3)[N-]C1=O	REAL300034090066	0	40	-1.0	-51.18	351.62	-1.62	-52.80
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300034090118	0	39	-1.0	-46.31	337.80	0.92	-45.39
O=C(C1=CC(=O)N[N-]1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300034090176	0	38	-1.0	-45.96	334.17	-1.82	-47.78
C[PH](C)([O-])C(=O)C(=O)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300034090181	0	43	-1.0	-53.97	366.33	-0.82	-54.79
O=C(CCC1=NC(=O)NN1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300034090199	0	43	-1.0	-64.90	371.51	-2.37	-67.27
O=C(CCC1=NC(=O)[N-]N1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300034090199	1	43	-1.0	-64.90	371.51	-2.37	-67.27
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=CC=CN([O-])C3=O)C2)C1	REAL300034090201	0	41	-1.0	-71.05	362.92	2.06	-68.99
CC1SC(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)CCO3)=NC1=O	REAL300034090220	0	40	-1.0	-56.45	360.80	-1.41	-57.86
CC1=C([O-])N=C(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)CCO3)S1	REAL300034090220	1	40	-1.0	-56.45	360.80	-1.41	-57.86
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=CC(=O)N([O-])C=C3)C2)C1	REAL300034090235	0	41	-1.0	-63.13	355.17	1.75	-61.38
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=CC=CC(=O)N3[O-])C2)C1	REAL300034090257	0	41	-1.0	-69.40	351.97	2.77	-66.63
O=C(CC1=NC([O-])=CS1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300034090359	0	40	-1.0	-71.26	361.80	-2.09	-73.35
CC1=CC(=O)C(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)CCO3)=N[N-]1	REAL300034090498	0	42	-1.0	-59.36	361.90	1.88	-57.48
O=C(C1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300034090508	0	37	-1.0	-49.05	328.80	-3.28	-52.33
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=NC=CC=C1O)CCO2	REAL300034090843	0	40	-1.0	-56.71	346.03	1.88	-54.83
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=NC=CC=C1[O-])CCO2	REAL300034090843	1	40	-1.0	-56.71	346.03	1.88	-54.83
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=NNC(=O)[N-]C1=O)CCO2	REAL300034090932	0	39	-1.0	-62.32	344.80	-4.04	-66.36
O=C(CN1C(=O)[N-]NC1=O)N1CCOC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034091019	0	41	-1.0	-56.33	361.75	-2.60	-58.93
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=COC(=O)[N-]1)CCO2	REAL300034091815	1	37	-1.0	-61.07	329.02	-1.67	-62.74
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=C([O-])C=C1F)CCO2	REAL300034091877	1	41	-1.0	-53.99	359.13	1.12	-52.87
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC([O-])=CC(=O)O1)CCO2	REAL300034091880	0	40	-1.0	-52.20	353.32	0.26	-51.94
CC1=CC=C([O-])C(C(=O)N2CCOC3(CN(C(=O)C4=NSNC4=O)C3)C2)=N1	REAL300034091927	1	43	-1.0	-56.76	367.63	2.47	-54.29
O=C(CCC1=NC(=O)[N-]N1)N1CCOC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034091928	1	43	-1.0	-62.09	372.04	-2.46	-64.55
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=C[N-]N=CC1=O)CCO2	REAL300034091937	0	39	-1.0	-45.11	342.18	-0.47	-45.58
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=CC(F)=C1[O-])CCO2	REAL300034091944	0	41	-1.0	-63.39	358.78	1.95	-61.44
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=CC([O-])=C1F)CCO2	REAL300034091999	1	41	-1.0	-64.14	356.54	1.06	-63.08
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)N[N-]1)CCO2	REAL300034092064	0	38	-1.0	-48.85	333.83	-1.77	-50.62
C[PH](C)([O-])C(=O)C(=O)N1CCOC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034092069	0	43	-1.0	-54.82	372.21	-0.88	-55.70
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)N([O-])C=C1)CCO2	REAL300034092115	0	41	-1.0	-65.41	364.74	1.91	-63.50
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=NC(=O)N[N-]1)CCO2	REAL300034092130	0	37	-1.0	-53.78	328.96	-2.38	-56.16
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=CN([O-])C1=O)CCO2	REAL300034092134	0	41	-1.0	-69.36	362.72	1.72	-67.64
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC(F)=CC=C1O)CCO2	REAL300034092231	0	41	-1.0	-55.10	358.96	1.96	-53.14
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC(F)=CC=C1[O-])CCO2	REAL300034092231	1	41	-1.0	-55.10	358.96	1.96	-53.14
CC1=CC=NC(C(=O)N2CCOC3(CN(C(=O)C4=NSNC4=O)C3)C2)=C1O	REAL300034092272	0	43	-1.0	-56.43	366.35	2.56	-53.87
CC1=CC=NC(C(=O)N2CCOC3(CN(C(=O)C4=NSNC4=O)C3)C2)=C1[O-]	REAL300034092272	1	43	-1.0	-56.43	366.35	2.56	-53.87
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CN=CC(O)=C1)CCO2	REAL300034092327	0	40	-1.0	-57.07	348.94	-0.62	-57.69
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CN=CC([O-])=C1)CCO2	REAL300034092327	1	40	-1.0	-57.07	348.94	-0.62	-57.69
O=C(CC1=NC([O-])=CS1)N1CCOC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034092406	0	40	-1.0	-84.51	364.11	-2.08	-86.59
CC1=CC(=O)C(C(=O)N2CCOC3(CN(C(=O)C4=NSNC4=O)C3)C2)=N[N-]1	REAL300034092502	0	42	-1.0	-51.73	362.81	1.94	-49.79
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=CC(=O)N1[O-])CCO2	REAL300034092517	0	41	-1.0	-76.83	357.92	2.18	-74.65
CN1N=C(C(=O)N2CCOC3(CN(C(=O)C4=NSNC4=O)C3)C2)[N-]C1=O	REAL300034092559	0	40	-1.0	-53.39	351.37	-1.58	-54.97
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=C(F)C(O)=C1)CCO2	REAL300034092674	0	41	-1.0	-54.45	359.96	1.22	-53.23
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=C(F)C([O-])=C1)CCO2	REAL300034092674	1	41	-1.0	-54.45	359.96	1.22	-53.23
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=NC(=O)[N-]C(=O)N1)CCO2	REAL300034092721	0	39	-1.0	-57.86	347.18	-4.17	-62.03
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=NC(=O)NC(=O)[N-]1)CCO2	REAL300034092721	1	39	-1.0	-46.08	346.83	-3.55	-49.63
NC1=NC=C(C(=O)N2CCOC3(CN(C(=O)C4=NSNC4=O)C3)C2)C(=O)[N-]1	REAL300034092756	1	41	-1.0	-53.94	360.88	-1.73	-55.67
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=NC=C1[O-])CCO2	REAL300034092832	0	40	-1.0	-54.66	348.93	-0.31	-54.97
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300034092837	0	37	-1.0	-56.10	328.79	-1.77	-57.87
CC1=C([O-])N=C(C(=O)N2CCOC3(CN(C(=O)C4=NSNC4=O)C3)C2)S1	REAL300034092852	1	40	-1.0	-63.04	361.19	-0.95	-63.99
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)NC([O-])=C1)CCO2	REAL300034092944	0	41	-1.0	-48.47	364.84	-3.01	-51.48
CCN1[N-]C(C(=O)N2CCOC3(CN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300034092982	0	44	-1.0	-51.93	378.82	0.90	-51.03
CN1[N-]C(C(=O)N2CCOC3(CN(C(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300034092998	0	41	-1.0	-51.38	356.93	-0.03	-51.41
O=C(CC1=CC(=O)N[N-]1)N1CCOC2(CN(C(=O)C3=NSNC3=O)C2)C1	REAL300034093076	1	41	-1.0	-71.95	358.26	-1.37	-73.32
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC=C([O-])C(F)=C1)CCO2	REAL300034093080	1	41	-1.0	-56.07	359.96	1.24	-54.83
CC1=CN=C(C(=O)N2CCOC3(CN(C(=O)C4=NSNC4=O)C3)C2)C([O-])=C1	REAL300034093136	1	43	-1.0	-57.67	367.48	2.53	-55.14
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CC([O-])=CS1)CCO2	REAL300034093148	0	38	-1.0	-59.75	342.91	-0.05	-59.80
O=C(C1=NSNC1=O)N1CC2(C1)CN(C(=O)C1=CN([O-])C(=O)C=C1)CCO2	REAL300034093159	0	41	-1.0	-64.91	364.50	1.89	-63.02
CN1[N-]C(C(=O)N2CC3(C2)CN(C(=O)C2=NSNC2=O)CCO3)=CC1=O	REAL300034093250	0	41	-1.0	-47.83	356.97	-0.12	-47.95
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300034093335	0	39	-1.0	-50.96	346.78	-4.01	-54.97
O=C(C1=NSNC1=O)N1CCOC2(CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1	REAL300034093335	1	39	-1.0	-50.96	346.78	-4.01	-54.97
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NSNC1=O)CCO2	REAL300034093436	0	37	-1.0	-51.31	329.18	-1.50	-52.81
CC1CN(C(=O)C2=CN([O-])C(=O)C=C2)CC(C)N(C(=O)C2=NSNC2=O)C1	REAL300034094981	0	45	-1.0	-69.77	371.00	4.94	-64.83
CC1CN(C(=O)C2=CC(=O)NC([O-])=C2)CC(C)N(C(=O)C2=NSNC2=O)C1	REAL300034095056	0	45	-1.0	-60.51	371.34	0.06	-60.45
CC1CN(C(=O)C2=COC(=O)[N-]2)CC(C)N(C(=O)C2=NSNC2=O)C1	REAL300034095067	1	41	-1.0	-64.47	336.57	2.46	-62.01
CCN1[N-]C(C(=O)N2CC(C)CN(C(=O)C3=NSNC3=O)C(C)C2)=CC1=O	REAL300034095172	0	48	-1.0	-63.05	382.61	3.96	-59.09
CC1CN(C(=O)CC2=CC(=O)N[N-]2)CC(C)N(C(=O)C2=NSNC2=O)C1	REAL300034095179	1	45	-1.0	-68.92	358.11	1.61	-67.31
CC1CN(C(=O)C2=NN(C)C(=O)[N-]2)CC(C)N(C(=O)C2=NSNC2=O)C1	REAL300034095198	0	44	-1.0	-73.92	359.04	2.09	-71.83
CC1CN(C(=O)C2=C[N-]N=CC2=O)CC(C)N(C(=O)C2=NSNC2=O)C1	REAL300034095250	0	43	-1.0	-62.26	355.25	2.69	-59.57
CC1CN(C(=O)C2=CC(=O)N[N-]2)CC(C)N(C(=O)C2=NSNC2=O)C1	REAL300034095308	0	42	-1.0	-59.01	338.07	1.32	-57.69
CC1CN(C(=O)C(=O)[PH](C)(C)[O-])CC(C)N(C(=O)C2=NSNC2=O)C1	REAL300034095313	0	47	-1.0	-49.46	372.54	2.91	-46.55
CC1CN(C(=O)C2=CC=CN([O-])C2=O)CC(C)N(C(=O)C2=NSNC2=O)C1	REAL300034095333	0	45	-1.0	-59.02	354.54	4.19	-54.83
CC1SC(C(=O)N2CC(C)CN(C(=O)C3=NSNC3=O)C(C)C2)=NC1=O	REAL300034095352	0	44	-1.0	-56.39	365.54	2.49	-53.90
CC1=C([O-])N=C(C(=O)N2CC(C)CN(C(=O)C3=NSNC3=O)C(C)C2)S1	REAL300034095352	1	44	-1.0	-56.39	365.54	2.49	-53.90
CC1CN(C(=O)C2=CC(=O)N([O-])C=C2)CC(C)N(C(=O)C2=NSNC2=O)C1	REAL300034095367	0	45	-1.0	-60.30	365.49	4.90	-55.40
CC1CN(C(=O)C2=CC=CC(=O)N2[O-])CC(C)N(C(=O)C2=NSNC2=O)C1	REAL300034095389	0	45	-1.0	-70.96	364.91	4.56	-66.40
CC1CN(C(=O)CC2=NC([O-])=CS2)CC(C)N(C(=O)C2=NSNC2=O)C1	REAL300034095491	0	44	-1.0	-82.69	363.95	0.91	-81.78
CC1=CC(=O)C(C(=O)N2CC(C)CN(C(=O)C3=NSNC3=O)C(C)C2)=N[N-]1	REAL300034095630	0	46	-1.0	-64.53	365.57	5.08	-59.45
CC1CN(C(=O)C2=NNC(=O)[N-]2)CC(C)N(C(=O)C2=NSNC2=O)C1	REAL300034095640	0	41	-1.0	-61.59	331.40	-0.25	-61.84
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=NC=CC=C2[O-])C1	REAL300034095975	1	44	-1.0	-76.25	347.86	5.29	-70.96
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300034096060	0	43	-1.0	-64.71	348.62	-0.11	-64.82
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300034096138	0	45	-1.0	-66.63	371.02	0.97	-65.66
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=COC(=O)[N-]2)C1	REAL300034096793	1	41	-1.0	-53.98	331.46	1.67	-52.31
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300034096852	1	45	-1.0	-65.01	356.07	4.36	-60.65
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300034096855	0	44	-1.0	-61.23	355.83	3.80	-57.43
CC1=CC=C([O-])C(C(=O)N2CC(C)CN(C(=O)C3=NSNC3=O)CC2C)=N1	REAL300034096895	1	47	-1.0	-77.27	370.12	5.66	-71.61
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)CCC2=NNC(=O)[N-]2)C1	REAL300034096896	0	47	-1.0	-62.98	375.43	1.56	-61.42
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=C[N-]N=CC2=O)C1	REAL300034096905	0	43	-1.0	-50.48	335.72	2.79	-47.69
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300034096910	0	45	-1.0	-77.59	354.84	4.28	-73.31
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300034096956	1	45	-1.0	-73.30	355.11	4.19	-69.11
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CC(=O)N[N-]2)C1	REAL300034097011	0	42	-1.0	-60.44	335.72	1.64	-58.80
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300034097015	0	47	-1.0	-49.66	371.50	3.11	-46.55
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)CC2=CC(=O)N(C)[N-]2)C1	REAL300034097018	0	48	-1.0	-63.30	384.18	3.79	-59.51
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300034097054	0	45	-1.0	-76.41	357.33	4.88	-71.53
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=NC(=O)N[N-]2)C1	REAL300034097069	0	41	-1.0	-57.21	332.40	0.92	-56.29
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300034097072	0	45	-1.0	-68.01	360.32	4.76	-63.25
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=NC(N)=CC(=O)[N-]2)C1	REAL300034097135	0	45	-1.0	-70.84	357.02	1.33	-69.51
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300034097156	1	45	-1.0	-60.37	358.75	5.87	-54.50
CC1=CC=NC(C(=O)N2CC(C)CN(C(=O)C3=NSNC3=O)CC2C)=C1[O-]	REAL300034097194	1	47	-1.0	-75.59	368.85	5.77	-69.82
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CN=CC([O-])=C2)C1	REAL300034097246	1	44	-1.0	-56.29	350.05	2.66	-53.63
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)CC2=NC([O-])=CS2)C1	REAL300034097315	0	44	-1.0	-72.42	366.96	1.34	-71.08
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300034097325	0	45	-1.0	-75.67	355.81	5.62	-70.05
CC1=CC(=O)C(C(=O)N2CC(C)CN(C(=O)C3=NSNC3=O)CC2C)=N[N-]1	REAL300034097394	0	46	-1.0	-61.52	366.99	5.79	-55.73
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300034097404	0	45	-1.0	-71.98	349.39	4.55	-67.43
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300034097437	0	44	-1.0	-69.47	355.28	1.71	-67.76
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300034097535	1	45	-1.0	-73.46	350.05	4.09	-69.37
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300034097573	0	43	-1.0	-54.96	351.17	-0.04	-55.00
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300034097573	1	43	-1.0	-54.96	351.17	-0.04	-55.00
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CN=C(N)NC2=O)C1	REAL300034097601	0	45	-1.0	-56.10	358.32	1.65	-54.45
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300034097601	1	45	-1.0	-56.10	358.32	1.65	-54.45
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300034097671	0	41	-1.0	-70.88	324.41	1.30	-69.58
CC1SC(C(=O)N2CC(C)CN(C(=O)C3=NSNC3=O)CC2C)=NC1=O	REAL300034097683	0	44	-1.0	-62.75	368.60	3.15	-59.60
CC1=C([O-])N=C(C(=O)N2CC(C)CN(C(=O)C3=NSNC3=O)CC2C)S1	REAL300034097683	1	44	-1.0	-62.75	368.60	3.15	-59.60
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300034097764	0	45	-1.0	-62.50	350.39	-0.34	-62.84
CCN1[N-]C(C(=O)N2CC(C)CN(C(=O)C3=NSNC3=O)CC2C)=CC1=O	REAL300034097800	0	48	-1.0	-64.56	383.06	4.51	-60.05
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300034097812	0	45	-1.0	-63.69	361.25	3.58	-60.11
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)CC2=CC(=O)NN2)C1	REAL300034097874	0	45	-1.0	-61.12	361.35	2.07	-59.05
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300034097874	1	45	-1.0	-61.12	361.35	2.07	-59.05
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CC=C(O)C(F)=C2)C1	REAL300034097878	0	45	-1.0	-68.26	350.01	4.12	-64.14
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300034097878	1	45	-1.0	-68.26	350.01	4.12	-64.14
CC1=CN=C(C(=O)N2CC(C)CN(C(=O)C3=NSNC3=O)CC2C)C(O)=C1	REAL300034097924	0	47	-1.0	-72.95	372.15	6.37	-66.58
CC1=CN=C(C(=O)N2CC(C)CN(C(=O)C3=NSNC3=O)CC2C)C([O-])=C1	REAL300034097924	1	47	-1.0	-72.95	372.15	6.37	-66.58
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CC([O-])=CS2)C1	REAL300034097935	0	42	-1.0	-75.97	340.91	3.16	-72.81
CC1CN(C(=O)C2=NSNC2=O)CC(C)N(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300034097944	0	45	-1.0	-61.80	373.27	5.24	-56.56
O=C(CC1=CC(=O)N[N-]1)NC1CCCC2CCC1N2C(=O)C1=NSNC1=O	REAL300034099030	1	46	-1.0	-73.39	368.27	1.33	-72.06
CN1N=C(C(=O)NC2CCCC3CCC2N3C(=O)C2=NSNC2=O)[N-]C1=O	REAL300034099039	0	45	-1.0	-68.29	365.16	0.91	-67.38
O=C(NC1CCCC2CCC1N2C(=O)C1=NSNC1=O)C1=C[N-]N=CC1=O	REAL300034099071	0	44	-1.0	-61.07	354.53	2.66	-58.41
O=C(NC1CCCC2CCC1N2C(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300034099105	0	43	-1.0	-61.59	347.83	0.70	-60.89
O=C(NC1CCCC2CCC1N2C(=O)C1=NSNC1=O)C1=NC(=O)N[N-]1	REAL300034099276	0	42	-1.0	-65.74	345.63	-0.83	-66.57
O=C(NC1CCCC2CCC1N2C(=O)C1=NC=CC=C1[O-])C1=NSNC1=O	REAL300034099570	1	45	-1.0	-79.53	357.65	4.38	-75.15
O=C(NC1CCCC2CCC1N2C(=O)C1=COC(=O)[N-]1)C1=NSNC1=O	REAL300034100045	1	42	-1.0	-60.22	341.09	0.84	-59.38
O=C(NC1CCCC2CCC1N2C(=O)C1=C[N-]N=CC1=O)C1=NSNC1=O	REAL300034100116	0	44	-1.0	-41.15	324.56	1.32	-39.83
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)N[N-]1)C1=NSNC1=O	REAL300034100175	0	43	-1.0	-63.56	345.95	0.47	-63.09
O=C(NC1CCCC2CCC1N2C(=O)C1=NC(=O)N[N-]1)C1=NSNC1=O	REAL300034100209	0	42	-1.0	-61.41	340.86	0.02	-61.39
O=C(NC1CCCC2CCC1N2C(=O)C1=CN=CC([O-])=C1)C1=NSNC1=O	REAL300034100317	1	45	-1.0	-70.71	362.38	1.53	-69.18
CN1N=C(C(=O)N2C3CCC2C(NC(=O)C2=NSNC2=O)CCC3)[N-]C1=O	REAL300034100425	0	45	-1.0	-71.13	363.53	0.64	-70.49
O=C(NC1CCCC2CCC1N2C(=O)C1=CC=NC=C1[O-])C1=NSNC1=O	REAL300034100555	0	45	-1.0	-65.22	354.25	3.10	-62.12
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=NSNC1=O	REAL300034100558	0	42	-1.0	-66.76	341.22	0.41	-66.35
CN1[N-]C(C(=O)N2C3CCC2C(NC(=O)C2=NSNC2=O)CCC3)=CC1=O	REAL300034100645	0	46	-1.0	-66.55	368.69	2.18	-64.37
O=C(CC1=CC(=O)N[N-]1)N1C2CCC1C(NC(=O)C1=NSNC1=O)CCC2	REAL300034100691	1	46	-1.0	-72.48	373.47	0.87	-71.61
O=C(NC1CCCC2CCC1N2C(=O)C1=CC([O-])=CS1)C1=NSNC1=O	REAL300034100735	0	43	-1.0	-61.76	351.99	2.02	-59.74
CN1[N-]C(C(=O)NC2CCCC3CCC2N3C(=O)C2=NSNC2=O)=CC1=O	REAL300034100794	0	46	-1.0	-65.10	373.77	2.18	-62.92
O=C(NC1CCCC2CCC1N2C(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300034100903	0	42	-1.0	-63.88	340.67	1.06	-62.82
CC(NC(=O)C1=COC(=O)[N-]1)C1(O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300034101605	1	42	-1.0	-56.12	352.66	-4.00	-60.12
CC(NC(=O)CC1=CC(=O)N[N-]1)C1(O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300034101669	1	46	-1.0	-61.71	377.94	-2.38	-64.09
CC(NC(=O)C1=NN(C)C(=O)[N-]1)C1(O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300034101674	0	45	-1.0	-57.40	374.52	-2.80	-60.20
CC(NC(=O)C1=C[N-]N=CC1=O)C1(O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300034101696	0	44	-1.0	-43.50	361.49	-0.84	-44.34
CC(NC(=O)C1=CC(=O)N[N-]1)C1(O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300034101727	0	43	-1.0	-55.80	357.49	-3.01	-58.81
CC(NC(=O)C1=NC(=O)N[N-]1)C1(O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300034101855	0	42	-1.0	-49.92	351.86	-4.30	-54.22
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300034102129	1	45	-1.0	-65.58	369.38	0.71	-64.87
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300034102568	1	42	-1.0	-50.65	352.14	-2.86	-53.51
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300034102630	0	44	-1.0	-54.30	370.54	-1.44	-55.74
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300034102684	0	43	-1.0	-52.59	357.01	-2.96	-55.55
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300034102713	0	42	-1.0	-50.92	351.79	-3.55	-54.47
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300034102808	1	45	-1.0	-60.52	372.65	-1.87	-62.39
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1	REAL300034102902	0	45	-1.0	-59.88	374.68	-2.76	-62.64
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=CC=NC=C2[O-])CC1	REAL300034103010	0	45	-1.0	-67.11	371.57	-1.36	-68.47
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300034103012	0	42	-1.0	-57.69	351.95	-2.96	-60.65
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1	REAL300034103087	0	46	-1.0	-55.25	379.82	-1.24	-56.49
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)CC2=CC(=O)N[N-]2)CC1	REAL300034103126	1	46	-1.0	-63.41	381.19	-2.55	-65.96
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=CC([O-])=CS2)CC1	REAL300034103164	0	43	-1.0	-65.17	367.73	-1.06	-66.23
CC(NC(=O)C1=CC(=O)N(C)[N-]1)C1(O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300034103211	0	46	-1.0	-53.72	380.08	-1.29	-55.01
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=NSNC2=O)CC1	REAL300034103291	0	42	-1.0	-59.82	352.23	-2.52	-62.34
O=C(NC1CC1C1CCCN(C(=O)C2=NSNC2=O)C1)C1=COC(=O)[N-]1	REAL300034104002	1	42	-1.0	-58.17	364.16	-0.61	-58.78
O=C(CC1=CC(=O)N[N-]1)NC1CC1C1CCCN(C(=O)C2=NSNC2=O)C1	REAL300034104080	1	46	-1.0	-61.11	383.84	1.82	-59.29
CN1N=C(C(=O)NC2CC2C2CCCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300034104089	0	45	-1.0	-58.61	385.77	0.52	-58.09
O=C(NC1CC1C1CCCN(C(=O)C2=NSNC2=O)C1)C1=C[N-]N=CC1=O	REAL300034104121	0	44	-1.0	-58.49	362.76	4.13	-54.36
O=C(NC1CC1C1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300034104155	0	43	-1.0	-60.69	368.99	0.37	-60.32
O=C(NC1CC1C1CCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)N[N-]1	REAL300034104326	0	42	-1.0	-58.89	363.60	-0.91	-59.80
O=C(NC1CC1C1CCCN(C(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300034104620	1	45	-1.0	-68.14	380.58	4.03	-64.11
O=C(NC1CC1C1CCCN(C(=O)C2=COC(=O)[N-]2)C1)C1=NSNC1=O	REAL300034105095	1	42	-1.0	-57.71	363.86	0.48	-57.23
O=C(NC1CC1C1CCCN(C(=O)C2=C[N-]N=CC2=O)C1)C1=NSNC1=O	REAL300034105166	0	44	-1.0	-52.11	382.48	1.91	-50.20
O=C(NC1CC1C1CCCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300034105225	0	43	-1.0	-61.11	368.36	0.39	-60.72
O=C(NC1CC1C1CCCN(C(=O)C2=NC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300034105259	0	42	-1.0	-58.32	363.36	-0.23	-58.55
O=C(NC1CC1C1CCCN(C(=O)C2=CN=CC([O-])=C2)C1)C1=NSNC1=O	REAL300034105367	1	45	-1.0	-68.05	382.67	1.44	-66.61
CN1N=C(C(=O)N2CCCC(C3CC3NC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300034105475	0	45	-1.0	-60.41	385.59	0.56	-59.85
O=C(NC1CC1C1CCCN(C(=O)C2=CC=NC=C2[O-])C1)C1=NSNC1=O	REAL300034105605	0	45	-1.0	-66.98	384.65	1.76	-65.22
O=C(NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NSNC1=O	REAL300034105608	0	42	-1.0	-64.60	363.68	0.48	-64.12
CN1[N-]C(C(=O)N2CCCC(C3CC3NC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034105695	0	46	-1.0	-63.99	391.08	2.09	-61.90
O=C(CC1=CC(=O)N[N-]1)N1CCCC(C2CC2NC(=O)C2=NSNC2=O)C1	REAL300034105741	1	46	-1.0	-72.91	392.54	0.82	-72.09
O=C(NC1CC1C1CCCN(C(=O)C2=CC([O-])=CS2)C1)C1=NSNC1=O	REAL300034105785	0	43	-1.0	-65.28	377.88	2.21	-63.07
CN1[N-]C(C(=O)NC2CC2C2CCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034105844	0	46	-1.0	-54.95	391.26	2.04	-52.91
O=C(NC1CC1C1CCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300034105953	0	42	-1.0	-63.72	363.73	0.85	-62.87
CN1CCN(C(=O)C2=NSNC2=O)C(CNC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300034106800	0	42	-1.0	-64.52	357.05	-4.87	-69.39
CN1CCN(C(=O)C2=NSNC2=O)C(CNC(=O)CN2C(=O)[N-]NC2=O)C1	REAL300034106848	0	44	-1.0	-67.62	370.80	-3.21	-70.83
CN1CCN(C(=O)C2=NSNC2=O)C(CNC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300034107188	0	44	-1.0	-73.28	367.93	1.30	-71.98
CN1CCN(C(=O)C2=NSNC2=O)C(CNC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300034107263	0	44	-1.0	-58.30	368.40	-3.75	-62.05
CN1CCN(C(=O)C2=NSNC2=O)C(CNC(=O)C2=COC(=O)[N-]2)C1	REAL300034107274	1	40	-1.0	-61.29	340.33	-3.90	-65.19
CCN1[N-]C(C(=O)NCC2CN(C)CCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300034107379	0	47	-1.0	-64.97	389.86	-0.12	-65.09
CN1N=C(C(=O)NCC2CN(C)CCN2C(=O)C2=NSNC2=O)[N-]C1=O	REAL300034107405	0	43	-1.0	-67.60	362.81	-2.60	-70.20
CN1CCN(C(=O)C2=NSNC2=O)C(CNC(=O)C2=C[N-]N=CC2=O)C1	REAL300034107457	0	42	-1.0	-54.93	349.51	-0.62	-55.55
CN1CCN(C(=O)C2=NSNC2=O)C(CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300034107515	0	41	-1.0	-60.78	345.32	-2.76	-63.54
CN1CCN(C(=O)C2=NSNC2=O)C(CNC(=O)C(=O)[PH](C)(C)[O-])C1	REAL300034107520	0	46	-1.0	-63.96	379.31	-1.26	-65.22
CN1CCN(C(=O)C2=NSNC2=O)C(CNC(=O)CCC2=NNC(=O)[N-]2)C1	REAL300034107538	0	46	-1.0	-60.06	381.14	-2.61	-62.67
CN1CCN(C(=O)C2=NSNC2=O)C(CNC(=O)C2=CC=CN([O-])C2=O)C1	REAL300034107540	0	44	-1.0	-69.57	365.10	1.38	-68.19
CC1SC(C(=O)NCC2CN(C)CCN2C(=O)C2=NSNC2=O)=NC1=O	REAL300034107559	0	43	-1.0	-64.73	372.03	-2.69	-67.42
CC1=C([O-])N=C(C(=O)NCC2CN(C)CCN2C(=O)C2=NSNC2=O)S1	REAL300034107559	1	43	-1.0	-64.73	372.03	-2.69	-67.42
CN1CCN(C(=O)C2=NSNC2=O)C(CNC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300034107573	0	44	-1.0	-73.78	368.50	1.24	-72.54
CN1CCN(C(=O)C2=NSNC2=O)C(CNC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300034107594	0	44	-1.0	-93.56	365.70	2.27	-91.29
CN1CCN(C(=O)C2=NSNC2=O)C(CNC(=O)CC2=NC([O-])=CS2)C1	REAL300034107695	0	43	-1.0	-73.15	371.58	-2.85	-76.00
CC1=CC(=O)C(C(=O)NCC2CN(C)CCN2C(=O)C2=NSNC2=O)=N[N-]1	REAL300034107833	0	45	-1.0	-66.97	374.21	0.99	-65.98
CN1CCN(C(=O)C2=NSNC2=O)C(CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300034107843	0	40	-1.0	-60.02	340.08	-4.11	-64.13
CN1CCN(C(=O)C2=NC=CC=C2[O-])C(CNC(=O)C2=NSNC2=O)C1	REAL300034108177	1	43	-1.0	-67.65	360.16	0.31	-67.34
CN1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C(CNC(=O)C2=NSNC2=O)C1	REAL300034108262	0	42	-1.0	-57.46	356.70	-4.95	-62.41
CN1CCN(C(=O)CN2C(=O)[N-]NC2=O)C(CNC(=O)C2=NSNC2=O)C1	REAL300034108339	0	44	-1.0	-68.27	375.42	-4.23	-72.50
CN1CCN(C(=O)C2=COC(=O)[N-]2)C(CNC(=O)C2=NSNC2=O)C1	REAL300034108982	1	40	-1.0	-48.73	340.19	-2.46	-51.19
CN1CCN(C(=O)C2=CC=C([O-])C=C2F)C(CNC(=O)C2=NSNC2=O)C1	REAL300034109041	1	44	-1.0	-57.37	369.16	0.40	-56.97
CN1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C(CNC(=O)C2=NSNC2=O)C1	REAL300034109044	0	43	-1.0	-54.22	365.77	-0.57	-54.79
CN1CCN(C(=O)C2=C[N-]N=CC2=O)C(CNC(=O)C2=NSNC2=O)C1	REAL300034109094	0	42	-1.0	-45.71	354.64	-1.22	-46.93
CN1CCN(C(=O)C2=CC=CC(F)=C2[O-])C(CNC(=O)C2=NSNC2=O)C1	REAL300034109099	0	44	-1.0	-72.62	368.76	1.48	-71.14
CN1CCN(C(=O)C2=CC=CC([O-])=C2F)C(CNC(=O)C2=NSNC2=O)C1	REAL300034109145	1	44	-1.0	-70.27	369.06	0.41	-69.86
CN1CCN(C(=O)C2=CC(=O)N[N-]2)C(CNC(=O)C2=NSNC2=O)C1	REAL300034109199	0	41	-1.0	-53.24	345.07	-2.67	-55.91
CN1CCN(C(=O)C(=O)[PH](C)(C)[O-])C(CNC(=O)C2=NSNC2=O)C1	REAL300034109203	0	46	-1.0	-51.11	379.54	-1.56	-52.67
CN1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C(CNC(=O)C2=NSNC2=O)C1	REAL300034109241	0	44	-1.0	-70.60	369.90	0.85	-69.75
CN1CCN(C(=O)C2=NC(=O)N[N-]2)C(CNC(=O)C2=NSNC2=O)C1	REAL300034109255	0	40	-1.0	-51.47	339.73	-3.27	-54.74
CN1CCN(C(=O)C2=CC=CN([O-])C2=O)C(CNC(=O)C2=NSNC2=O)C1	REAL300034109258	0	44	-1.0	-62.23	370.94	0.76	-61.47
CN1CCN(C(=O)C2=CC(F)=CC=C2O)C(CNC(=O)C2=NSNC2=O)C1	REAL300034109341	0	44	-1.0	-62.62	368.94	1.49	-61.13
CN1CCN(C(=O)C2=CC(F)=CC=C2[O-])C(CNC(=O)C2=NSNC2=O)C1	REAL300034109341	1	44	-1.0	-62.62	368.94	1.49	-61.13
CC1=CC=NC(C(=O)N2CCN(C)CC2CNC(=O)C2=NSNC2=O)=C1O	REAL300034109379	0	46	-1.0	-62.31	377.46	1.52	-60.79
CC1=CC=NC(C(=O)N2CCN(C)CC2CNC(=O)C2=NSNC2=O)=C1[O-]	REAL300034109379	1	46	-1.0	-62.31	377.46	1.52	-60.79
CN1CCN(C(=O)CC2=NC([O-])=CS2)C(CNC(=O)C2=NSNC2=O)C1	REAL300034109499	0	43	-1.0	-81.44	376.33	-3.82	-85.26
CC1=CC(=O)C(C(=O)N2CCN(C)CC2CNC(=O)C2=NSNC2=O)=N[N-]1	REAL300034109577	0	45	-1.0	-54.07	373.88	0.92	-53.15
CN1CCN(C(=O)C2=CC=CC(=O)N2[O-])C(CNC(=O)C2=NSNC2=O)C1	REAL300034109587	0	44	-1.0	-78.86	367.23	1.36	-77.50
CN1N=C(C(=O)N2CCN(C)CC2CNC(=O)C2=NSNC2=O)[N-]C1=O	REAL300034109620	0	43	-1.0	-59.93	362.55	-2.48	-62.41
CN1CCN(C(=O)C2=CC=C(F)C(O)=C2)C(CNC(=O)C2=NSNC2=O)C1	REAL300034109717	0	44	-1.0	-54.73	373.07	0.38	-54.35
CN1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C(CNC(=O)C2=NSNC2=O)C1	REAL300034109717	1	44	-1.0	-54.73	373.07	0.38	-54.35
CN1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C(CNC(=O)C2=NSNC2=O)C1	REAL300034109753	0	42	-1.0	-51.52	358.53	-5.02	-56.54
CN1CCN(C(=O)C2=CC=NC=C2[O-])C(CNC(=O)C2=NSNC2=O)C1	REAL300034109844	0	43	-1.0	-67.38	361.25	-1.29	-68.67
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=NSNC2=O)C1	REAL300034109849	0	40	-1.0	-55.71	340.03	-2.44	-58.15
CC1=C([O-])N=C(C(=O)N2CCN(C)CC2CNC(=O)C2=NSNC2=O)S1	REAL300034109861	1	43	-1.0	-54.49	371.86	-1.72	-56.21
CN1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C(CNC(=O)C2=NSNC2=O)C1	REAL300034109941	0	44	-1.0	-51.64	371.07	-4.10	-55.74
CCN1[N-]C(C(=O)N2CCN(C)CC2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300034109977	0	47	-1.0	-54.49	389.61	0.13	-54.36
CN1[N-]C(C(=O)N2CCN(C)CC2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300034109989	0	44	-1.0	-53.64	367.82	-0.83	-54.47
CN1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C(CNC(=O)C2=NSNC2=O)C1	REAL300034110053	1	44	-1.0	-56.64	373.04	0.42	-56.22
CC1=CN=C(C(=O)N2CCN(C)CC2CNC(=O)C2=NSNC2=O)C([O-])=C1	REAL300034110098	1	46	-1.0	-67.52	381.65	0.99	-66.53
CN1CCN(C(=O)C2=CC([O-])=CS2)C(CNC(=O)C2=NSNC2=O)C1	REAL300034110109	0	41	-1.0	-66.50	355.66	-0.90	-67.40
CN1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C(CNC(=O)C2=NSNC2=O)C1	REAL300034110118	0	44	-1.0	-70.77	369.68	0.87	-69.90
CN1[N-]C(C(=O)NCC2CN(C)CCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300034110206	0	44	-1.0	-65.52	368.11	-1.20	-66.72
CN1CCN(C(=O)C2=NSNC2=O)C(CNC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300034110290	0	42	-1.0	-59.14	358.61	-5.88	-65.02
CN1CCN(C(=O)C2=NSNC2=O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300034110389	0	40	-1.0	-62.77	340.03	-2.28	-65.05
O=C(NC1CN(C(=O)C2=NSNC2=O)C2CCCCC12)C1=COC(=O)[N-]1	REAL300034111123	1	42	-1.0	-46.51	356.50	-1.23	-47.74
O=C(CC1=CC(=O)N[N-]1)NC1CN(C(=O)C2=NSNC2=O)C2CCCCC12	REAL300034111201	1	46	-1.0	-55.60	377.45	0.71	-54.89
CN1N=C(C(=O)NC2CN(C(=O)C3=NSNC3=O)C3CCCCC23)[N-]C1=O	REAL300034111210	0	45	-1.0	-52.05	378.65	-0.05	-52.10
O=C(NC1CN(C(=O)C2=NSNC2=O)C2CCCCC12)C1=C[N-]N=CC1=O	REAL300034111242	0	44	-1.0	-42.33	360.84	2.25	-40.08
O=C(NC1CN(C(=O)C2=NSNC2=O)C2CCCCC12)C1=CC(=O)N[N-]1	REAL300034111276	0	43	-1.0	-48.27	356.62	0.08	-48.19
O=C(NC1CN(C(=O)C2=NSNC2=O)C2CCCCC12)C1=NC(=O)N[N-]1	REAL300034111447	0	42	-1.0	-48.95	351.22	-1.21	-50.16
O=C(NC1CN(C(=O)C2=NC=CC=C2[O-])C2CCCCC12)C1=NSNC1=O	REAL300034111741	1	45	-1.0	-65.47	368.40	3.68	-61.79
O=C(NC1CN(C(=O)C2=COC(=O)[N-]2)C2CCCCC12)C1=NSNC1=O	REAL300034112130	1	42	-1.0	-58.55	352.40	-0.23	-58.78
O=C(NC1CN(C(=O)C2=C[N-]N=CC2=O)C2CCCCC12)C1=NSNC1=O	REAL300034112197	0	44	-1.0	-54.68	370.59	1.74	-52.94
O=C(NC1CN(C(=O)C2=CC(=O)N[N-]2)C2CCCCC12)C1=NSNC1=O	REAL300034112246	0	43	-1.0	-55.87	361.46	-0.22	-56.09
O=C(NC1CN(C(=O)C2=NC(=O)N[N-]2)C2CCCCC12)C1=NSNC1=O	REAL300034112273	0	42	-1.0	-57.09	356.24	-1.09	-58.18
O=C(NC1CN(C(=O)C2=CN=CC([O-])=C2)C2CCCCC12)C1=NSNC1=O	REAL300034112368	1	45	-1.0	-58.19	365.97	1.22	-56.97
CN1N=C(C(=O)N2CC(NC(=O)C3=NSNC3=O)C3CCCCC32)[N-]C1=O	REAL300034112457	0	45	-1.0	-60.98	374.27	0.28	-60.70
O=C(NC1CN(C(=O)C2=CC=NC=C2[O-])C2CCCCC12)C1=NSNC1=O	REAL300034112566	0	45	-1.0	-62.64	373.20	1.96	-60.68
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1=NSNC1=O	REAL300034112569	0	42	-1.0	-59.33	356.67	-0.02	-59.35
CN1[N-]C(C(=O)N2CC(NC(=O)C3=NSNC3=O)C3CCCCC32)=CC1=O	REAL300034112647	0	46	-1.0	-58.22	384.19	1.48	-56.74
O=C(CC1=CC(=O)N[N-]1)N1CC(NC(=O)C2=NSNC2=O)C2CCCCC21	REAL300034112683	1	46	-1.0	-60.14	380.87	0.57	-59.57
O=C(NC1CN(C(=O)C2=CC([O-])=CS2)C2CCCCC12)C1=NSNC1=O	REAL300034112719	0	43	-1.0	-64.19	368.07	1.75	-62.44
CN1[N-]C(C(=O)NC2CN(C(=O)C3=NSNC3=O)C3CCCCC23)=CC1=O	REAL300034112775	0	46	-1.0	-50.55	379.36	1.79	-48.76
O=C(NC1CN(C(=O)C2=NSNC2=O)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300034112884	0	42	-1.0	-53.22	351.37	0.57	-52.65
CC1(C)CN(C(=O)C2=NSNC2=O)CC(CNC(=O)C2=COC(=O)[N-]2)O1	REAL300034113557	1	42	-1.0	-51.43	362.67	-2.74	-54.17
CC1(C)CN(C(=O)C2=NSNC2=O)CC(CNC(=O)CC2=CC(=O)N[N-]2)O1	REAL300034113629	1	46	-1.0	-58.10	388.16	-1.11	-59.21
CN1N=C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CC(C)(C)O2)[N-]C1=O	REAL300034113637	0	45	-1.0	-56.31	384.75	-1.55	-57.86
CC1(C)CN(C(=O)C2=NSNC2=O)CC(CNC(=O)C2=C[N-]N=CC2=O)O1	REAL300034113662	0	44	-1.0	-43.58	371.03	0.45	-43.13
CC1(C)CN(C(=O)C2=NSNC2=O)CC(CNC(=O)C2=CC(=O)N[N-]2)O1	REAL300034113696	0	43	-1.0	-50.39	367.49	-1.74	-52.13
CC1(C)CN(C(=O)C2=NSNC2=O)CC(CNC(=O)C2=NC(=O)N[N-]2)O1	REAL300034113846	0	42	-1.0	-50.71	362.10	-3.05	-53.76
CC1(C)CN(C(=O)C2=NC=CC=C2[O-])CC(CNC(=O)C2=NSNC2=O)O1	REAL300034114130	1	45	-1.0	-63.20	379.39	1.90	-61.30
CC1(C)CN(C(=O)C2=COC(=O)[N-]2)CC(CNC(=O)C2=NSNC2=O)O1	REAL300034114569	1	42	-1.0	-52.21	362.01	-1.64	-53.85
CC1(C)CN(C(=O)C2=C[N-]N=CC2=O)CC(CNC(=O)C2=NSNC2=O)O1	REAL300034114631	0	44	-1.0	-46.15	373.34	-0.21	-46.36
CC1(C)CN(C(=O)C2=CC(=O)N[N-]2)CC(CNC(=O)C2=NSNC2=O)O1	REAL300034114685	0	43	-1.0	-52.06	367.25	-1.70	-53.76
CC1(C)CN(C(=O)C2=NC(=O)N[N-]2)CC(CNC(=O)C2=NSNC2=O)O1	REAL300034114714	0	42	-1.0	-51.82	361.66	-2.36	-54.18
CC1(C)CN(C(=O)C2=CN=CC([O-])=C2)CC(CNC(=O)C2=NSNC2=O)O1	REAL300034114809	1	45	-1.0	-57.66	380.28	-0.75	-58.41
CN1N=C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)OC(C)(C)C2)[N-]C1=O	REAL300034114903	0	45	-1.0	-57.82	384.35	-1.57	-59.39
CC1(C)CN(C(=O)C2=CC=NC=C2[O-])CC(CNC(=O)C2=NSNC2=O)O1	REAL300034115011	0	45	-1.0	-61.11	382.00	-0.28	-61.39
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C2=NSNC2=O)O1	REAL300034115013	0	42	-1.0	-56.94	361.90	-1.57	-58.51
CN1[N-]C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)OC(C)(C)C2)=CC1=O	REAL300034115088	0	46	-1.0	-54.31	389.99	0.00	-54.31
CC1(C)CN(C(=O)CC2=CC(=O)N[N-]2)CC(CNC(=O)C2=NSNC2=O)O1	REAL300034115127	1	46	-1.0	-60.23	390.70	-1.28	-61.51
CC1(C)CN(C(=O)C2=CC([O-])=CS2)CC(CNC(=O)C2=NSNC2=O)O1	REAL300034115165	0	43	-1.0	-62.33	376.04	0.15	-62.18
CN1[N-]C(C(=O)NCC2CN(C(=O)C3=NSNC3=O)CC(C)(C)O2)=CC1=O	REAL300034115217	0	46	-1.0	-52.89	390.31	-0.03	-52.92
CC1(C)CN(C(=O)C2=NSNC2=O)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300034115309	0	42	-1.0	-55.12	362.23	-1.26	-56.38
O=C(C1=COC(=O)[N-]1)N1CC(C2CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300034116023	1	42	-1.0	-56.92	359.29	0.50	-56.42
O=C(CC1=CC(=O)N[N-]1)N1CC(C2CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300034116101	1	46	-1.0	-66.88	386.99	1.70	-65.18
CN1N=C(C(=O)N2CC(C3CCN(C(=O)C4=NSNC4=O)CC3)C2)[N-]C1=O	REAL300034116110	0	45	-1.0	-64.09	381.57	1.28	-62.81
O=C(C1=NSNC1=O)N1CCC(C2CN(C(=O)C3=C[N-]N=CC3=O)C2)CC1	REAL300034116142	0	44	-1.0	-58.98	366.53	3.78	-55.20
O=C(C1=CC(=O)N[N-]1)N1CC(C2CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300034116176	0	43	-1.0	-57.26	364.12	1.08	-56.18
O=C(C1=NC(=O)N[N-]1)N1CC(C2CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300034116347	0	42	-1.0	-57.10	358.85	0.06	-57.04
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=NC=CC=C3[O-])CC2)C1	REAL300034116641	1	45	-1.0	-69.55	378.09	4.35	-65.20
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=COC(=O)[N-]3)CC2)C1	REAL300034117116	1	42	-1.0	-52.82	358.54	1.23	-51.59
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)C1	REAL300034117187	0	44	-1.0	-49.86	371.38	2.61	-47.25
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CC(=O)N[N-]3)CC2)C1	REAL300034117246	0	43	-1.0	-56.20	363.49	1.29	-54.91
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=NC(=O)N[N-]3)CC2)C1	REAL300034117280	0	42	-1.0	-56.25	358.04	0.64	-55.61
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)C1	REAL300034117388	1	45	-1.0	-55.83	378.88	2.44	-53.39
CN1N=C(C(=O)N2CCC(C3CN(C(=O)C4=NSNC4=O)C3)CC2)[N-]C1=O	REAL300034117496	0	45	-1.0	-63.68	380.97	1.33	-62.35
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CC=NC=C3[O-])CC2)C1	REAL300034117626	0	45	-1.0	-70.32	378.76	2.51	-67.81
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300034117629	0	42	-1.0	-62.78	358.59	1.23	-61.55
CN1[N-]C(C(=O)N2CCC(C3CN(C(=O)C4=NSNC4=O)C3)CC2)=CC1=O	REAL300034117716	0	46	-1.0	-59.18	386.30	2.99	-56.19
O=C(CC1=CC(=O)N[N-]1)N1CCC(C2CN(C(=O)C3=NSNC3=O)C2)CC1	REAL300034117762	1	46	-1.0	-65.63	387.15	1.63	-64.00
O=C(C1=NSNC1=O)N1CC(C2CCN(C(=O)C3=CC([O-])=CS3)CC2)C1	REAL300034117806	0	43	-1.0	-67.77	373.73	3.13	-64.64
CN1[N-]C(C(=O)N2CC(C3CCN(C(=O)C4=NSNC4=O)CC3)C2)=CC1=O	REAL300034117865	0	46	-1.0	-59.92	386.86	2.79	-57.13
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=NSNC3=O)CC2)C1	REAL300034117974	0	42	-1.0	-61.54	359.14	1.43	-60.11
O=C(NCC1COCCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300034118690	0	41	-1.0	-53.85	352.90	-4.13	-57.98
O=C(CN1C(=O)[N-]NC1=O)NCC1COCCN(C(=O)C2=NSNC2=O)C1	REAL300034118734	0	43	-1.0	-53.60	367.01	-2.48	-56.08
O=C(NCC1COCCN(C(=O)C2=NSNC2=O)C1)C1=CN([O-])C(=O)C=C1	REAL300034119071	0	43	-1.0	-68.39	365.37	1.87	-66.52
O=C(NCC1COCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)NC([O-])=C1	REAL300034119143	0	43	-1.0	-50.13	364.44	-2.90	-53.03
O=C(NCC1COCCN(C(=O)C2=NSNC2=O)C1)C1=COC(=O)[N-]1	REAL300034119153	1	39	-1.0	-51.69	337.92	-3.19	-54.88
CCN1[N-]C(C(=O)NCC2COCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034119257	0	46	-1.0	-52.33	385.88	0.58	-51.75
O=C(CC1=CC(=O)N[N-]1)NCC1COCCN(C(=O)C2=NSNC2=O)C1	REAL300034119264	1	43	-1.0	-57.55	362.00	-1.44	-58.99
CN1N=C(C(=O)NCC2COCCN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300034119282	0	42	-1.0	-55.42	358.66	-1.87	-57.29
O=C(NCC1COCCN(C(=O)C2=NSNC2=O)C1)C1=C[N-]N=CC1=O	REAL300034119332	0	41	-1.0	-43.02	346.99	-0.04	-43.06
O=C(NCC1COCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300034119387	0	40	-1.0	-49.54	341.33	-2.07	-51.61
C[PH](C)([O-])C(=O)C(=O)NCC1COCCN(C(=O)C2=NSNC2=O)C1	REAL300034119392	0	45	-1.0	-49.53	375.68	-0.88	-50.41
O=C(CCC1=NC(=O)NN1)NCC1COCCN(C(=O)C2=NSNC2=O)C1	REAL300034119410	0	45	-1.0	-63.23	377.27	-2.40	-65.63
O=C(CCC1=NC(=O)[N-]N1)NCC1COCCN(C(=O)C2=NSNC2=O)C1	REAL300034119410	1	45	-1.0	-63.23	377.27	-2.40	-65.63
O=C(NCC1COCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CN([O-])C1=O	REAL300034119412	0	43	-1.0	-61.79	361.65	2.18	-59.61
CC1SC(C(=O)NCC2COCCN(C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300034119429	0	42	-1.0	-57.74	367.88	-1.95	-59.69
CC1=C([O-])N=C(C(=O)NCC2COCCN(C(=O)C3=NSNC3=O)C2)S1	REAL300034119429	1	42	-1.0	-57.74	367.88	-1.95	-59.69
O=C(NCC1COCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N([O-])C=C1	REAL300034119443	0	43	-1.0	-69.10	364.35	1.99	-67.11
O=C(NCC1COCCN(C(=O)C2=NSNC2=O)C1)C1=CC=CC(=O)N1[O-]	REAL300034119463	0	43	-1.0	-77.17	361.54	3.00	-74.17
O=C(CC1=NC([O-])=CS1)NCC1COCCN(C(=O)C2=NSNC2=O)C1	REAL300034119562	0	42	-1.0	-69.61	369.29	-2.27	-71.88
CC1=CC(=O)C(C(=O)NCC2COCCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300034119698	0	44	-1.0	-50.27	370.05	1.73	-48.54
O=C(NCC1COCCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]1	REAL300034119707	0	39	-1.0	-52.87	335.83	-3.53	-56.40
O=C(NCC1COCCN(C(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300034120036	1	42	-1.0	-65.55	351.65	1.75	-63.80
O=C(NCC1COCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=NSNC1=O	REAL300034120126	0	41	-1.0	-60.74	352.41	-4.25	-64.99
O=C(CN1C(=O)[N-]NC1=O)N1CCOCC(CNC(=O)C2=NSNC2=O)C1	REAL300034120207	0	43	-1.0	-62.15	372.66	-2.98	-65.13
O=C(NCC1COCCN(C(=O)C2=COC(=O)[N-]2)C1)C1=NSNC1=O	REAL300034120971	1	39	-1.0	-56.75	336.31	-1.51	-58.26
O=C(NCC1COCCN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=NSNC1=O	REAL300034121032	1	43	-1.0	-59.46	370.27	0.72	-58.74
O=C(NCC1COCCN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=NSNC1=O	REAL300034121035	0	42	-1.0	-59.57	357.67	-0.13	-59.70
CC1=CC=C([O-])C(C(=O)N2CCOCC(CNC(=O)C3=NSNC3=O)C2)=N1	REAL300034121079	1	45	-1.0	-65.32	368.43	1.89	-63.43
O=C(NCC1COCCN(C(=O)C2=C[N-]N=CC2=O)C1)C1=NSNC1=O	REAL300034121089	0	41	-1.0	-55.58	357.84	-0.79	-56.37
O=C(NCC1COCCN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=NSNC1=O	REAL300034121096	0	43	-1.0	-69.75	365.04	0.64	-69.11
O=C(NCC1COCCN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=NSNC1=O	REAL300034121147	1	43	-1.0	-68.05	365.41	0.56	-67.49
O=C(NCC1COCCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300034121208	0	40	-1.0	-55.89	343.03	-2.22	-58.11
C[PH](C)([O-])C(=O)C(=O)N1CCOCC(CNC(=O)C2=NSNC2=O)C1	REAL300034121213	0	45	-1.0	-55.82	376.30	-1.30	-57.12
O=C(NCC1COCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=NSNC1=O	REAL300034121258	0	43	-1.0	-67.77	374.35	1.37	-66.40
O=C(NCC1COCCN(C(=O)C2=NNC(=O)[N-]2)C1)C1=NSNC1=O	REAL300034121272	0	39	-1.0	-59.87	337.82	-3.71	-63.58
O=C(NCC1COCCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=NSNC1=O	REAL300034121275	0	43	-1.0	-66.90	357.65	0.68	-66.22
O=C(NCC1COCCN(C(=O)C2=CC(F)=CC=C2O)C1)C1=NSNC1=O	REAL300034121369	0	43	-1.0	-63.06	365.16	0.65	-62.41
O=C(NCC1COCCN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=NSNC1=O	REAL300034121369	1	43	-1.0	-63.06	365.16	0.65	-62.41
CC1=CC=NC(C(=O)N2CCOCC(CNC(=O)C3=NSNC3=O)C2)=C1O	REAL300034121409	0	45	-1.0	-65.07	372.02	2.44	-62.63
CC1=CC=NC(C(=O)N2CCOCC(CNC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300034121409	1	45	-1.0	-65.07	372.02	2.44	-62.63
O=C(NCC1COCCN(C(=O)C2=CN=CC(O)=C2)C1)C1=NSNC1=O	REAL300034121463	0	42	-1.0	-61.40	358.56	-1.24	-62.64
O=C(NCC1COCCN(C(=O)C2=CN=CC([O-])=C2)C1)C1=NSNC1=O	REAL300034121463	1	42	-1.0	-61.40	358.56	-1.24	-62.64
O=C(CC1=NC([O-])=CS1)N1CCOCC(CNC(=O)C2=NSNC2=O)C1	REAL300034121535	0	42	-1.0	-75.23	373.50	-2.61	-77.84
CC1=CC(=O)C(C(=O)N2CCOCC(CNC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300034121628	0	44	-1.0	-58.85	369.68	1.63	-57.22
O=C(NCC1COCCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=NSNC1=O	REAL300034121642	0	43	-1.0	-79.57	366.81	0.90	-78.67
CN1N=C(C(=O)N2CCOCC(CNC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300034121683	0	42	-1.0	-61.85	360.56	-2.06	-63.91
O=C(NCC1COCCN(C(=O)C2=CC=C(F)C(O)=C2)C1)C1=NSNC1=O	REAL300034121792	0	43	-1.0	-58.20	369.94	0.69	-57.51
O=C(NCC1COCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=NSNC1=O	REAL300034121792	1	43	-1.0	-58.20	369.94	0.69	-57.51
O=C(NCC1COCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=NSNC1=O	REAL300034121834	0	41	-1.0	-60.20	351.04	-4.02	-64.22
O=C(NCC1COCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300034121834	1	41	-1.0	-53.48	353.56	-3.49	-56.97
NC1=NC=C(C(=O)N2CCOCC(CNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300034121868	1	43	-1.0	-63.67	371.82	-2.11	-65.78
O=C(NCC1COCCN(C(=O)C2=CC=NC=C2[O-])C1)C1=NSNC1=O	REAL300034121940	0	42	-1.0	-64.95	353.69	-1.19	-66.14
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NSNC1=O	REAL300034121945	0	39	-1.0	-62.29	336.93	-2.26	-64.55
CC1=C([O-])N=C(C(=O)N2CCOCC(CNC(=O)C3=NSNC3=O)C2)S1	REAL300034121959	1	42	-1.0	-63.34	368.72	-1.05	-64.39
O=C(NCC1COCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=NSNC1=O	REAL300034122048	0	43	-1.0	-53.65	374.47	-3.52	-57.17
CCN1[N-]C(C(=O)N2CCOCC(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034122085	0	46	-1.0	-57.94	387.66	0.42	-57.52
CN1[N-]C(C(=O)N2CCOCC(CNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034122100	0	43	-1.0	-57.59	365.88	-0.53	-58.12
O=C(CC1=CC(=O)N[N-]1)N1CCOCC(CNC(=O)C2=NSNC2=O)C1	REAL300034122176	1	43	-1.0	-64.69	367.62	-1.90	-66.59
O=C(NCC1COCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=NSNC1=O	REAL300034122180	1	43	-1.0	-59.18	369.92	0.73	-58.45
CC1=CN=C(C(=O)N2CCOCC(CNC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300034122233	1	45	-1.0	-66.88	375.17	2.26	-64.62
O=C(NCC1COCCN(C(=O)C2=CC([O-])=CS2)C1)C1=NSNC1=O	REAL300034122244	0	40	-1.0	-70.17	343.14	-0.91	-71.08
O=C(NCC1COCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=NSNC1=O	REAL300034122255	0	43	-1.0	-66.92	374.11	1.35	-65.57
CN1[N-]C(C(=O)NCC2COCCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034122343	0	43	-1.0	-51.78	364.15	-0.36	-52.14
O=C(NCC1COCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)[N-]C(=O)N1	REAL300034122424	0	41	-1.0	-48.01	356.52	-4.50	-52.51
O=C(NCC1COCCN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)NC(=O)[N-]1	REAL300034122424	1	41	-1.0	-48.01	356.52	-4.50	-52.51
O=C(NCC1COCCN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300034122515	0	39	-1.0	-55.74	337.49	-1.73	-57.47
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1CO	REAL300034124079	0	41	-1.0	-64.01	340.73	-3.87	-67.88
O=C(CN1C(=O)[N-]NC1=O)N1CCCN(C(=O)C2=NSNC2=O)C(CO)C1	REAL300034124123	0	43	-1.0	-65.43	356.88	-2.50	-67.93
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1CO	REAL300034124460	0	43	-1.0	-76.63	349.24	1.28	-75.35
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1CO	REAL300034124532	0	43	-1.0	-55.68	349.79	-3.61	-59.29
O=C(C1=COC(=O)[N-]1)N1CCCN(C(=O)C2=NSNC2=O)C(CO)C1	REAL300034124542	1	39	-1.0	-46.25	325.78	-1.28	-47.53
CCN1[N-]C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)C(CO)C2)=CC1=O	REAL300034124646	0	46	-1.0	-59.84	373.25	0.85	-58.99
O=C(CC1=CC(=O)N[N-]1)N1CCCN(C(=O)C2=NSNC2=O)C(CO)C1	REAL300034124653	1	43	-1.0	-68.49	351.88	-1.40	-69.89
CN1N=C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)C(CO)C2)[N-]C1=O	REAL300034124671	0	42	-1.0	-56.09	348.17	-1.52	-57.61
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=C[N-]N=CC2=O)CC1CO	REAL300034124721	0	41	-1.0	-45.65	331.84	-0.46	-46.11
O=C(C1=CC(=O)N[N-]1)N1CCCN(C(=O)C2=NSNC2=O)C(CO)C1	REAL300034124776	0	40	-1.0	-55.97	328.71	-1.79	-57.76
C[PH](C)([O-])C(=O)C(=O)N1CCCN(C(=O)C2=NSNC2=O)C(CO)C1	REAL300034124781	0	45	-1.0	-49.52	363.70	-0.52	-50.04
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=CN([O-])C2=O)CC1CO	REAL300034124801	0	43	-1.0	-59.24	349.22	1.36	-57.88
CC1SC(C(=O)N2CCCN(C(=O)C3=NSNC3=O)C(CO)C2)=NC1=O	REAL300034124818	0	42	-1.0	-56.09	356.73	-0.96	-57.05
CC1=C([O-])N=C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)C(CO)C2)S1	REAL300034124818	1	42	-1.0	-56.09	356.73	-0.96	-57.05
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1CO	REAL300034124832	0	43	-1.0	-76.29	349.63	1.30	-74.99
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=CC(=O)N2[O-])CC1CO	REAL300034124852	0	43	-1.0	-57.31	351.49	1.53	-55.78
O=C(CC1=NC([O-])=CS1)N1CCCN(C(=O)C2=NSNC2=O)C(CO)C1	REAL300034124951	0	42	-1.0	-77.88	357.72	-2.12	-80.00
CC1=CC(=O)C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)C(CO)C2)=N[N-]1	REAL300034125087	0	44	-1.0	-62.48	358.05	1.79	-60.69
O=C(C1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=NSNC2=O)C(CO)C1	REAL300034125096	0	39	-1.0	-53.02	325.41	-3.19	-56.21
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=NC=CC=C2[O-])C(CO)C1	REAL300034125425	1	42	-1.0	-66.08	342.07	2.11	-63.97
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C(CO)C1	REAL300034125511	0	41	-1.0	-57.57	342.09	-3.64	-61.21
O=C(CN1C(=O)[N-]NC1=O)N1CCCN(C(=O)C2=NSNC2=O)CC1CO	REAL300034125584	0	43	-1.0	-75.22	354.41	-1.39	-76.61
O=C(C1=COC(=O)[N-]1)N1CCCN(C(=O)C2=NSNC2=O)CC1CO	REAL300034126209	1	39	-1.0	-55.79	324.57	-1.49	-57.28
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=C([O-])C=C2F)C(CO)C1	REAL300034126267	1	43	-1.0	-56.71	355.70	2.10	-54.61
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC([O-])=CC(=O)O2)C(CO)C1	REAL300034126270	0	42	-1.0	-52.76	349.12	1.72	-51.04
CC1=CC=C([O-])C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2CO)=N1	REAL300034126308	1	45	-1.0	-77.20	357.74	3.06	-74.14
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=C[N-]N=CC2=O)C(CO)C1	REAL300034126318	0	41	-1.0	-47.94	340.86	0.66	-47.28
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=CC(F)=C2[O-])C(CO)C1	REAL300034126323	0	43	-1.0	-70.88	355.27	2.41	-68.47
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=CC([O-])=C2F)C(CO)C1	REAL300034126367	1	43	-1.0	-68.08	355.56	2.10	-65.98
O=C(C1=CC(=O)N[N-]1)N1CCCN(C(=O)C2=NSNC2=O)CC1CO	REAL300034126418	0	40	-1.0	-62.79	324.88	-0.67	-63.46
C[PH](C)([O-])C(=O)C(=O)N1CCCN(C(=O)C2=NSNC2=O)CC1CO	REAL300034126422	0	45	-1.0	-52.50	361.13	0.21	-52.29
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C(CO)C1	REAL300034126460	0	43	-1.0	-70.46	351.66	2.62	-67.84
O=C(C1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=NSNC2=O)CC1CO	REAL300034126474	0	39	-1.0	-55.19	325.08	-2.81	-58.00
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=CN([O-])C2=O)C(CO)C1	REAL300034126476	0	43	-1.0	-68.15	356.77	2.71	-65.44
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC(F)=CC=C2O)C(CO)C1	REAL300034126558	0	43	-1.0	-71.60	344.00	3.09	-68.51
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC(F)=CC=C2[O-])C(CO)C1	REAL300034126558	1	43	-1.0	-71.60	344.00	3.09	-68.51
CC1=CC=NC(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2CO)=C1O	REAL300034126595	0	45	-1.0	-77.43	358.02	3.07	-74.36
CC1=CC=NC(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2CO)=C1[O-]	REAL300034126595	1	45	-1.0	-77.43	358.02	3.07	-74.36
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CN=CC(O)=C2)C(CO)C1	REAL300034126646	0	42	-1.0	-59.37	340.52	0.19	-59.18
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CN=CC([O-])=C2)C(CO)C1	REAL300034126646	1	42	-1.0	-59.37	340.52	0.19	-59.18
O=C(CC1=NC([O-])=CS1)N1CCCN(C(=O)C2=NSNC2=O)CC1CO	REAL300034126709	0	42	-1.0	-78.41	358.77	-1.58	-79.99
CC1=CC(=O)C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2CO)=N[N-]1	REAL300034126785	0	44	-1.0	-54.83	359.27	2.23	-52.60
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=CC(=O)N2[O-])C(CO)C1	REAL300034126794	0	43	-1.0	-84.37	354.33	2.70	-81.67
CN1N=C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2CO)[N-]C1=O	REAL300034126827	0	42	-1.0	-57.80	347.52	-1.10	-58.90
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=C(F)C(O)=C2)C(CO)C1	REAL300034126922	0	43	-1.0	-66.43	351.90	2.14	-64.29
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=C(F)C([O-])=C2)C(CO)C1	REAL300034126922	1	43	-1.0	-66.43	351.90	2.14	-64.29
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C(CO)C1	REAL300034126957	0	41	-1.0	-51.63	343.92	-3.84	-55.47
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C(CO)C1	REAL300034126957	1	41	-1.0	-55.13	343.01	-3.04	-58.17
NC1=NC=C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2CO)C(=O)[N-]1	REAL300034126984	1	43	-1.0	-56.28	342.70	-0.72	-57.00
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=NC=C2[O-])C(CO)C1	REAL300034127045	0	42	-1.0	-65.11	344.25	0.43	-64.68
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NSNC2=O)CC1CO	REAL300034127050	0	39	-1.0	-65.68	324.40	-1.62	-67.30
CC1=C([O-])N=C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2CO)S1	REAL300034127062	1	42	-1.0	-54.26	357.29	-0.50	-54.76
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C(CO)C1	REAL300034127141	0	43	-1.0	-60.62	345.59	-2.32	-62.94
CCN1[N-]C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2CO)=CC1=O	REAL300034127176	0	46	-1.0	-67.57	370.08	1.95	-65.62
CN1[N-]C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2CO)=CC1=O	REAL300034127187	0	43	-1.0	-65.75	347.63	1.03	-64.72
O=C(CC1=CC(=O)N[N-]1)N1CCCN(C(=O)C2=NSNC2=O)CC1CO	REAL300034127247	1	43	-1.0	-71.65	354.10	-1.17	-72.82
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C(CO)C1	REAL300034127251	1	43	-1.0	-58.87	351.90	2.16	-56.71
CC1=CN=C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)CC2CO)C([O-])=C1	REAL300034127294	1	45	-1.0	-66.57	361.30	2.97	-63.60
O=C(C1=CC([O-])=CS1)N1CCCN(C(=O)C2=NSNC2=O)CC1CO	REAL300034127304	0	40	-1.0	-75.75	336.87	1.28	-74.47
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C(CO)C1	REAL300034127313	0	43	-1.0	-83.80	350.93	2.78	-81.02
CN1[N-]C(C(=O)N2CCCN(C(=O)C3=NSNC3=O)C(CO)C2)=CC1=O	REAL300034127398	0	43	-1.0	-52.18	353.35	0.14	-52.04
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1CO	REAL300034127479	0	41	-1.0	-43.78	344.04	-3.14	-46.92
O=C(C1=NSNC1=O)N1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1CO	REAL300034127479	1	41	-1.0	-43.78	344.04	-3.14	-46.92
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NSNC2=O)C(CO)C1	REAL300034127570	0	39	-1.0	-52.72	325.83	-1.59	-54.31
CC1(CNC(=O)C2=COC(=O)[N-]2)CC(F)(F)CN1C(=O)C1=NSNC1=O	REAL300034127980	1	38	-1.0	-49.92	342.43	-1.48	-51.40
CC1(CNC(=O)C2=CC(=O)N[N-]2)CC(F)(F)CN1C(=O)C1=NSNC1=O	REAL300034128074	0	39	-1.0	-52.90	346.54	-0.40	-53.30
CC1(CNC(=O)C2=NC(=O)N[N-]2)CC(F)(F)CN1C(=O)C1=NSNC1=O	REAL300034128161	0	38	-1.0	-50.21	341.90	-1.75	-51.96
CC1(CNC(=O)C2=NSNC2=O)CC(F)(F)CN1C(=O)C1=NC=CC=C1[O-]	REAL300034128347	1	41	-1.0	-71.72	358.61	3.02	-68.70
CC1(CNC(=O)C2=NSNC2=O)CC(F)(F)CN1C(=O)C1=COC(=O)[N-]1	REAL300034128541	1	38	-1.0	-57.41	341.87	-0.84	-58.25
CC1(CNC(=O)C2=NSNC2=O)CC(F)(F)CN1C(=O)C1=CC(=O)N[N-]1	REAL300034128607	0	39	-1.0	-53.69	347.12	-0.51	-54.20
CC1(CNC(=O)C2=NSNC2=O)CC(F)(F)CN1C(=O)C1=NC(=O)N[N-]1	REAL300034128619	0	38	-1.0	-51.58	341.55	-1.13	-52.71
CC1(CNC(=O)C2=NSNC2=O)CC(F)(F)CN1C(=O)C1=CN=CC([O-])=C1	REAL300034128670	1	41	-1.0	-55.50	353.46	0.90	-54.60
CC1(CNC(=O)C2=NSNC2=O)CC(F)(F)CN1C(=O)C1=CC=NC=C1[O-]	REAL300034128773	0	41	-1.0	-55.26	352.05	2.47	-52.79
CC1(CNC(=O)C2=NSNC2=O)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300034128775	0	38	-1.0	-57.25	342.10	-0.34	-57.59
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=NSNC1=O	REAL300034128948	0	38	-1.0	-59.60	341.43	-0.16	-59.76
O=C(CCCN1C(=O)[N-]NC1=O)NC1C=CCN(C(=O)C2=NSNC2=O)C1	REAL300034130103	0	43	-1.0	-57.41	377.86	-0.89	-58.30
O=C(CCC1=NNC(=O)[N-]C1=O)NC1C=CCN(C(=O)C2=NSNC2=O)C1	REAL300034130332	0	41	-1.0	-56.79	365.56	-3.62	-60.41
CC(=O)[N-]C1=NC(C(=O)NC2C=CCN(C(=O)C3=NSNC3=O)C2)=CS1	REAL300034130333	1	39	-1.0	-52.78	359.67	-0.10	-52.88
O=C(CCN1C=C[N-]C(=O)C1=O)NC1C=CCN(C(=O)C2=NSNC2=O)C1	REAL300034130502	1	42	-1.0	-67.97	371.19	0.53	-67.44
COC1=C(C(=O)NC2C=CCN(C(=O)C3=NSNC3=O)C2)NC(=O)[N-]C1=O	REAL300034130620	1	40	-1.0	-60.16	354.23	-2.46	-62.62
O=C(NC1C=CCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]C1=O	REAL300034130744	0	35	-1.0	-58.79	321.24	-3.74	-62.53
O=C(CN1C(=O)[N-]NC1=O)NC1C=CCN(C(=O)C2=NSNC2=O)C1	REAL300034130868	0	37	-1.0	-64.73	335.23	-2.07	-66.80
O=C(CC1=NC([O-])=CS1)NC1C=CCN(C(=O)C2=NSNC2=O)C1	REAL300034133000	0	36	-1.0	-71.56	336.18	-1.76	-73.32
CCC1=NC=C(C(=O)NC2C=CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300034133027	1	41	-1.0	-60.62	354.29	0.82	-59.80
O=C(CN1N=CC(=O)[N-]C1=O)NC1C=CCN(C(=O)C2=NSNC2=O)C1	REAL300034133039	0	38	-1.0	-66.93	345.58	-3.18	-70.11
O=C(NC1C=CCN(C(=O)C2=NSNC2=O)C1)C1=C(Cl)C(=O)[N-]S1	REAL300034133122	0	33	-1.0	-56.37	327.18	-0.36	-56.73
COCC1=NC=C(C(=O)NC2C=CCN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300034133235	0	42	-1.0	-61.23	367.22	-0.95	-62.18
COCC1=NC=C(C(=O)NC2C=CCN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300034133235	1	42	-1.0	-61.23	367.22	-0.95	-62.18
CC1=CC(=O)C(C(=O)NC2C=CCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300034133342	0	38	-1.0	-61.03	338.31	2.12	-58.91
O=C(NC1C=CCN(C(=O)C2=NSNC2=O)C1)C1=NNC(=O)[N-]1	REAL300034133361	0	33	-1.0	-60.00	304.05	-3.13	-63.13
O=C(NC1C=CCN(C(=O)C2=NSNC2=O)C1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300034133386	0	38	-1.0	-56.08	346.75	1.37	-54.71
O=C(NC1C=CCN(C(=O)C2=NSNC2=O)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300034133386	1	38	-1.0	-56.08	346.75	1.37	-54.71
O=C(NC1C=CCN(C(=O)C2=NSNC2=O)C1)C1=CN=C(C=N[O-])S1	REAL300034133528	0	36	-1.0	-65.80	344.98	-0.07	-65.87
O=C(NC1C=CCN(C(=O)C2=NC=CC=C2O)C1)C1=NSNC1=O	REAL300034133808	0	36	-1.0	-56.96	321.65	2.03	-54.93
O=C(NC1C=CCN(C(=O)C2=NC=CC=C2[O-])C1)C1=NSNC1=O	REAL300034133808	1	36	-1.0	-56.96	321.65	2.03	-54.93
O=C(CCN1C=CNC(=O)C1=O)N1CC=CC(NC(=O)C2=NSNC2=O)C1	REAL300034133932	0	42	-1.0	-57.45	374.11	0.27	-57.18
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC=CC(NC(=O)C2=NSNC2=O)C1	REAL300034133932	1	42	-1.0	-57.45	374.11	0.27	-57.18
CC(=O)NC1=NC(C(=O)N2CC=CC(NC(=O)C3=NSNC3=O)C2)=CS1	REAL300034133944	0	39	-1.0	-42.91	359.75	0.18	-42.73
CC(=O)[N-]C1=NC(C(=O)N2CC=CC(NC(=O)C3=NSNC3=O)C2)=CS1	REAL300034133944	1	39	-1.0	-42.91	359.75	0.18	-42.73
O=C(CCCN1C(=O)[N-]NC1=O)N1CC=CC(NC(=O)C2=NSNC2=O)C1	REAL300034135280	0	43	-1.0	-62.49	380.51	-1.13	-63.62
O=C(NC1C=CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=NSNC1=O	REAL300034135503	1	42	-1.0	-53.99	370.76	0.66	-53.33
O=C(NCC12CCCC1N(C(=O)C1=NSNC1=O)CCC2)C1=COC(=O)[N-]1	REAL300034141296	1	45	-1.0	-54.97	360.61	0.19	-54.78
O=C(NCC12CCCC1N(C(=O)C1=NSNC1=O)CCC2)C1=CC(=O)N[N-]1	REAL300034141378	0	46	-1.0	-57.23	365.43	1.17	-56.06
O=C(NCC12CCCC1N(C(=O)C1=NSNC1=O)CCC2)C1=NC(=O)N[N-]1	REAL300034141449	0	45	-1.0	-55.17	359.99	-0.12	-55.29
O=C(NCC12CCCC1N(C(=O)C1=COC(=O)[N-]1)CCC2)C1=NSNC1=O	REAL300034141766	1	45	-1.0	-61.40	360.37	1.32	-60.08
O=C(NCC12CCCC1N(C(=O)C1=CC(=O)N[N-]1)CCC2)C1=NSNC1=O	REAL300034141818	0	46	-1.0	-65.32	365.16	1.28	-64.04
O=C(NCC12CCCC1N(C(=O)C1=NC(=O)N[N-]1)CCC2)C1=NSNC1=O	REAL300034141828	0	45	-1.0	-62.93	359.75	0.66	-62.27
O=C(NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=NSNC1=O	REAL300034141948	0	45	-1.0	-70.75	360.18	1.28	-69.47
O=C(NCC12CCCC1N(C(=O)C1=NSNC1=O)CCC2)C1=CC(=O)[N-]O1	REAL300034142094	0	45	-1.0	-59.68	360.16	1.66	-58.02
O=C(NCC12CCC(CC1)N(C(=O)C1=NSNC1=O)C2)C1=COC(=O)[N-]1	REAL300034142797	1	42	-1.0	-48.10	351.98	-0.85	-48.95
O=C(CC1=CC(=O)N[N-]1)NCC12CCC(CC1)N(C(=O)C1=NSNC1=O)C2	REAL300034142875	1	46	-1.0	-57.55	377.47	0.79	-56.76
CN1N=C(C(=O)NCC23CCC(CC2)N(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300034142884	0	45	-1.0	-53.81	374.02	0.36	-53.45
O=C(NCC12CCC(CC1)N(C(=O)C1=NSNC1=O)C2)C1=C[N-]N=CC1=O	REAL300034142916	0	44	-1.0	-40.63	361.03	2.30	-38.33
O=C(NCC12CCC(CC1)N(C(=O)C1=NSNC1=O)C2)C1=CC(=O)N[N-]1	REAL300034142950	0	43	-1.0	-47.88	356.81	0.14	-47.74
O=C(NCC12CCC(CC1)N(C(=O)C1=NSNC1=O)C2)C1=NC(=O)N[N-]1	REAL300034143121	0	42	-1.0	-47.70	351.40	-1.15	-48.85
O=C(NCC12CCC(CC1)N(C(=O)C1=NC=CC=C1[O-])C2)C1=NSNC1=O	REAL300034143415	1	45	-1.0	-64.97	368.57	3.83	-61.14
O=C(NCC12CCC(CC1)N(C(=O)C1=COC(=O)[N-]1)C2)C1=NSNC1=O	REAL300034143890	1	42	-1.0	-52.93	352.02	0.03	-52.90
O=C(NCC12CCC(CC1)N(C(=O)C1=C[N-]N=CC1=O)C2)C1=NSNC1=O	REAL300034143961	0	44	-1.0	-50.74	370.42	1.64	-49.10
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)N[N-]1)C2)C1=NSNC1=O	REAL300034144020	0	43	-1.0	-53.07	356.84	0.10	-52.97
O=C(NCC12CCC(CC1)N(C(=O)C1=NC(=O)N[N-]1)C2)C1=NSNC1=O	REAL300034144054	0	42	-1.0	-52.79	351.67	-0.64	-53.43
O=C(NCC12CCC(CC1)N(C(=O)C1=CN=CC([O-])=C1)C2)C1=NSNC1=O	REAL300034144162	1	45	-1.0	-53.17	366.13	1.04	-52.13
CN1N=C(C(=O)N2CC3(CNC(=O)C4=NSNC4=O)CCC2CC3)[N-]C1=O	REAL300034144270	0	45	-1.0	-59.10	374.34	0.26	-58.84
O=C(NCC12CCC(CC1)N(C(=O)C1=CC=NC=C1[O-])C2)C1=NSNC1=O	REAL300034144400	0	45	-1.0	-61.45	370.35	1.90	-59.55
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NSNC1=O	REAL300034144403	0	42	-1.0	-56.62	351.96	0.22	-56.40
CN1[N-]C(C(=O)N2CC3(CNC(=O)C4=NSNC4=O)CCC2CC3)=CC1=O	REAL300034144490	0	46	-1.0	-55.36	379.66	1.80	-53.56
O=C(CC1=CC(=O)N[N-]1)N1CC2(CNC(=O)C3=NSNC3=O)CCC1CC2	REAL300034144536	1	46	-1.0	-60.43	381.17	0.54	-59.89
O=C(NCC12CCC(CC1)N(C(=O)C1=CC([O-])=CS1)C2)C1=NSNC1=O	REAL300034144580	0	43	-1.0	-63.57	363.43	1.97	-61.60
CN1[N-]C(C(=O)NCC23CCC(CC2)N(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300034144639	0	46	-1.0	-50.17	379.62	1.85	-48.32
O=C(NCC12CCC(CC1)N(C(=O)C1=NSNC1=O)C2)C1=CC(=O)[N-]O1	REAL300034144748	0	42	-1.0	-52.73	351.55	0.64	-52.09
COC1(CNC(=O)C2=NNC(=O)[N-]C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300034145982	0	38	-1.0	-61.23	349.39	-5.71	-66.94
COC1(CNC(=O)CN2C(=O)[N-]NC2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300034146065	0	40	-1.0	-59.14	364.63	-4.22	-63.36
COC1(CNC(=O)C2=CN([O-])C(=O)C=C2)CN(C(=O)C2=NSNC2=O)C1	REAL300034146635	0	40	-1.0	-72.85	361.81	0.32	-72.53
COC1(CNC(=O)C2=CC(=O)NC([O-])=C2)CN(C(=O)C2=NSNC2=O)C1	REAL300034146749	0	40	-1.0	-55.54	361.09	-4.74	-60.28
COC1(CNC(=O)C2=COC(=O)[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300034146760	1	36	-1.0	-50.18	334.39	-4.69	-54.87
COC1(C[N-]C(=O)C(F)(F)C(F)(F)F)CN(C(=O)C2=NSNC2=O)C1	REAL300034146847	0	35	-1.0	-46.31	340.64	-1.36	-47.67
CCN1[N-]C(C(=O)NCC2(OC)CN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034146926	0	43	-1.0	-54.90	383.76	-1.06	-55.96
COC1(CNC(=O)CC2=CC(=O)N[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300034146933	1	40	-1.0	-62.98	359.62	-3.17	-66.15
COC1(CNC(=O)C2=CC=CC(=S)N2[O-])CN(C(=O)C2=NSNC2=O)C1	REAL300034146948	0	40	-1.0	-89.16	370.35	2.34	-86.82
COC1(CNC(=O)C2=NN(C)C(=O)[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300034146971	0	39	-1.0	-58.11	355.13	-3.69	-61.80
COC1(CNC(=O)C2=C[N-]N=CC2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300034147058	0	38	-1.0	-49.37	342.22	-1.76	-51.13
COC1(CNC(=O)C2=CC(=O)N[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300034147150	0	37	-1.0	-51.43	339.21	-3.71	-55.14
COC1(CNC(=O)C(=O)[PH](C)(C)[O-])CN(C(=O)C2=NSNC2=O)C1	REAL300034147155	0	42	-1.0	-53.63	371.77	-2.41	-56.04
COC1(CNC(=O)CCC2=NC(=O)NN2)CN(C(=O)C2=NSNC2=O)C1	REAL300034147180	0	42	-1.0	-62.36	374.88	-4.13	-66.49
COC1(CNC(=O)CCC2=NC(=O)[N-]N2)CN(C(=O)C2=NSNC2=O)C1	REAL300034147180	1	42	-1.0	-62.36	374.88	-4.13	-66.49
COC1(CNC(=O)C2=CC=CN([O-])C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300034147184	0	40	-1.0	-59.22	359.37	0.49	-58.73
COC1(CNC(=O)C2=NC(=O)C(C)S2)CN(C(=O)C2=NSNC2=O)C1	REAL300034147212	0	39	-1.0	-55.57	365.75	-3.57	-59.14
COC1(CNC(=O)C2=NC([O-])=C(C)S2)CN(C(=O)C2=NSNC2=O)C1	REAL300034147212	1	39	-1.0	-55.57	365.75	-3.57	-59.14
COC1(CNC(=O)C2=CC(=O)C=C(Cl)N2)CN(C(=O)C2=NSNC2=O)C1	REAL300034147225	0	39	-1.0	-48.83	368.03	-0.61	-49.44
COC1(CNC(=O)C2=CC(=O)C=C(Cl)[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300034147225	1	39	-1.0	-48.83	368.03	-0.61	-49.44
COC1(CNC(=O)C2=CC(=O)N([O-])C=C2)CN(C(=O)C2=NSNC2=O)C1	REAL300034147242	0	40	-1.0	-70.58	361.97	0.26	-70.32
COC1(CNC(=O)C2=CC=CC(=O)N2[O-])CN(C(=O)C2=NSNC2=O)C1	REAL300034147273	0	40	-1.0	-84.97	359.23	1.29	-83.68
COC1(CNC(=O)CC2=NC([O-])=CS2)CN(C(=O)C2=NSNC2=O)C1	REAL300034147433	0	39	-1.0	-73.72	365.47	-3.91	-77.63
CCC1=NC=C(C(=O)NCC2(OC)CN(C(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300034147451	0	44	-1.0	-55.38	383.29	-1.39	-56.77
CCC1=NC=C(C(=O)NCC2(OC)CN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300034147451	1	44	-1.0	-55.38	383.29	-1.39	-56.77
COC1(CNC(=O)C2=N[N-]C(C)=CC2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300034147655	0	41	-1.0	-60.58	366.55	0.16	-60.42
COC1(CNC(=O)C2=NC(=O)N[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300034147668	0	36	-1.0	-50.11	333.81	-4.99	-55.10
COC1(CNC(=O)C2=CN=C(C=N[O-])S2)CN(C(=O)C2=NSNC2=O)C1	REAL300034147775	0	39	-1.0	-65.46	374.59	-2.11	-67.57
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300034148043	1	39	-1.0	-66.53	349.80	-0.35	-66.88
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300034148164	0	38	-1.0	-58.88	349.32	-6.00	-64.88
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300034148319	0	40	-1.0	-59.81	366.10	-4.42	-64.23
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300034149583	1	40	-1.0	-66.73	371.29	1.45	-65.28
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300034149607	1	41	-1.0	-50.96	373.39	-0.56	-51.52
CCC1=NC=C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)(OC)C2)C(=O)[N-]1	REAL300034149687	1	44	-1.0	-65.49	381.17	-0.79	-66.28
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300034149705	1	36	-1.0	-53.43	333.30	-4.51	-57.94
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300034149769	0	39	-1.0	-52.87	370.36	-4.10	-56.97
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300034149790	1	40	-1.0	-58.26	359.49	-0.83	-59.09
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300034149796	0	39	-1.0	-54.47	358.15	-1.40	-55.87
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300034149802	1	41	-1.0	-63.13	372.70	-0.49	-63.62
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300034149805	0	39	-1.0	-61.95	364.36	-0.50	-62.45
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300034149820	0	41	-1.0	-63.58	376.45	-5.54	-69.12
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NC(C)=CC=C2[O-])C1	REAL300034149880	1	42	-1.0	-67.28	371.41	0.24	-67.04
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300034149881	1	42	-1.0	-63.39	377.51	-4.19	-67.58
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300034149897	0	38	-1.0	-56.32	340.28	-1.25	-57.57
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300034149906	0	40	-1.0	-76.33	359.66	0.84	-75.49
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300034150978	1	41	-1.0	-62.37	377.88	-2.46	-64.83
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(C#N)C=C2[O-])C1	REAL300034150979	0	41	-1.0	-64.33	373.63	1.03	-63.30
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300034150987	0	41	-1.0	-62.35	375.39	1.34	-61.01
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300034151067	0	40	-1.0	-56.40	361.80	-1.65	-58.05
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300034151118	1	40	-1.0	-67.48	358.74	-0.88	-68.36
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300034151136	1	40	-1.0	-66.38	369.56	1.16	-65.22
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300034151199	0	38	-1.0	-50.43	352.70	-5.78	-56.21
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300034151199	1	38	-1.0	-50.43	352.70	-5.78	-56.21
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=C(N)NC2=O)C1	REAL300034151253	0	40	-1.0	-60.63	365.02	-3.54	-64.17
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300034151253	1	40	-1.0	-60.63	365.02	-3.54	-64.17
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300034151334	0	39	-1.0	-62.60	366.01	0.16	-62.44
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300034151386	0	36	-1.0	-57.95	333.15	-3.64	-61.59
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NC(=O)C(C)S2)C1	REAL300034151408	0	39	-1.0	-57.97	365.74	-3.43	-61.40
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NC([O-])=C(C)S2)C1	REAL300034151408	1	39	-1.0	-57.97	365.74	-3.43	-61.40
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C(=O)C2=CC=C(O)C=C2)C1	REAL300034151496	0	42	-1.0	-56.28	375.46	-0.64	-56.92
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300034151496	1	42	-1.0	-56.28	375.46	-0.64	-56.92
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300034151513	0	39	-1.0	-67.28	372.73	-2.58	-69.86
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)C=C(Cl)N2)C1	REAL300034151532	0	39	-1.0	-51.53	368.78	-0.43	-51.96
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300034151532	1	39	-1.0	-51.53	368.78	-0.43	-51.96
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300034151552	0	40	-1.0	-53.00	358.39	-5.30	-58.30
CCN1[N-]C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)(OC)C2)=CC1=O	REAL300034151608	0	43	-1.0	-58.69	383.83	-1.18	-59.87
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300034151625	0	40	-1.0	-57.83	362.10	-2.12	-59.95
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)CC2=CC(=O)NN2)C1	REAL300034151755	0	40	-1.0	-62.39	361.09	-3.37	-65.76
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300034151755	1	40	-1.0	-62.39	361.09	-3.37	-65.76
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(O)C(F)=C2)C1	REAL300034151760	0	40	-1.0	-60.14	358.72	-0.83	-60.97
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300034151760	1	40	-1.0	-60.14	358.72	-0.83	-60.97
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300034151807	0	39	-1.0	-67.13	363.68	-0.47	-67.60
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NC=C(C)C=C2O)C1	REAL300034151857	0	42	-1.0	-68.39	371.14	0.28	-68.11
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NC=C(C)C=C2[O-])C1	REAL300034151857	1	42	-1.0	-68.39	371.14	0.28	-68.11
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300034151876	0	37	-1.0	-66.56	346.63	-1.63	-68.19
COC1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300034151892	0	40	-1.0	-70.96	358.02	-0.38	-71.34
COC1(CNC(=O)C2=CC(=O)N(C)[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300034152035	0	40	-1.0	-54.09	362.03	-2.00	-56.09
COC1(CNC(=O)C2=NC(=O)[N-]C(=O)N2)CN(C(=O)C2=NSNC2=O)C1	REAL300034152186	0	38	-1.0	-52.86	352.34	-6.76	-59.62
COC1(CNC(=O)C2=NC(=O)NC(=O)[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300034152186	1	38	-1.0	-48.65	351.66	-6.19	-54.84
COC1(CNC(=O)CN2[N-]C(=O)C=CC2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300034152322	0	42	-1.0	-59.78	380.74	-3.25	-63.03
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NSNC2=O)C1	REAL300034152329	0	36	-1.0	-55.19	333.96	-3.22	-58.41
COC1(CNC(=O)C2=CN([O-])C(=O)NC2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300034152340	0	40	-1.0	-57.27	363.64	-2.22	-59.49
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=NNC(=O)[N-]C3=O)C[C@@H]2C1	REAL300034153161	0	41	-1.0	-57.11	346.60	-1.30	-58.41
O=C(CN1C(=O)[N-]NC1=O)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C1	REAL300034153212	0	43	-1.0	-57.02	363.85	0.21	-56.81
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CN([O-])C(=O)C=C3)C[C@@H]2C1	REAL300034153592	0	43	-1.0	-70.76	360.91	4.20	-66.56
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)NC([O-])=C3)C[C@@H]2C1	REAL300034153671	0	43	-1.0	-52.45	365.54	-0.90	-53.35
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=COC(=O)[N-]3)C[C@@H]2C1	REAL300034153682	1	39	-1.0	-45.92	329.88	1.01	-44.91
CCN1[N-]C(C(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]3C2)=CC1=O	REAL300034153799	0	46	-1.0	-53.41	379.81	3.57	-49.84
O=C(CC1=CC(=O)N[N-]1)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C1	REAL300034153806	1	43	-1.0	-59.08	359.12	1.34	-57.74
CN1N=C(C(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]3C2)[N-]C1=O	REAL300034153829	0	42	-1.0	-57.76	351.31	0.91	-56.85
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=C[N-]N=CC3=O)C[C@@H]2C1	REAL300034153886	0	41	-1.0	-49.62	348.70	2.38	-47.24
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)N[N-]3)C[C@@H]2C1	REAL300034153951	0	40	-1.0	-51.54	333.85	0.78	-50.76
C[PH](C)([O-])C(=O)C(=O)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C1	REAL300034153956	0	45	-1.0	-51.64	368.59	1.83	-49.81
CN1[N-]C(CC(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]3C2)=CC1=O	REAL300034153958	0	46	-1.0	-63.36	381.31	2.48	-60.88
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CC=CN([O-])C3=O)C[C@@H]2C1	REAL300034153980	0	43	-1.0	-76.00	364.00	4.00	-72.00
CC1=C([O-])N=C(C(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]3C2)S1	REAL300034154001	1	42	-1.0	-58.73	360.61	1.62	-57.11
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)N([O-])C=C3)C[C@@H]2C1	REAL300034154017	0	43	-1.0	-67.76	365.45	4.56	-63.20
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CC=CC(=O)N3[O-])C[C@@H]2C1	REAL300034154042	0	43	-1.0	-67.25	358.90	4.23	-63.02
O=C(CC1=NC([O-])=CS1)N1CC[C@H]2CN(C(=O)C3=NSNC3=O)C[C@H]2C1	REAL300034154156	0	42	-1.0	-72.44	364.32	0.04	-72.40
CC1=CC(=O)C(C(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]3C2)=N[N-]1	REAL300034154310	0	44	-1.0	-53.80	363.80	4.57	-49.23
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=NC(=O)N[N-]3)C[C@@H]2C1	REAL300034154320	0	39	-1.0	-46.86	329.52	0.31	-46.55
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=NC=CC=C3[O-])C[C@H]2C1	REAL300034154662	1	42	-1.0	-66.84	345.82	4.37	-62.47
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=NNC(=O)[N-]C3=O)C[C@H]2C1	REAL300034154760	0	41	-1.0	-64.70	346.71	-1.27	-65.97
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300034154852	0	43	-1.0	-59.13	363.02	0.11	-59.02
N#CC1=CC([O-])=CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=C1	REAL300034155662	1	44	-1.0	-51.69	370.93	3.79	-47.90
O=C(C1=COC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300034155729	1	39	-1.0	-56.73	329.20	0.46	-56.27
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C=C3F)C[C@H]2C1	REAL300034155798	1	43	-1.0	-56.03	356.49	3.52	-52.51
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC([O-])=CC(=O)O3)C[C@H]2C1	REAL300034155802	0	42	-1.0	-57.20	354.27	2.98	-54.22
N#CC1=CC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]3C2)C=C1[O-]	REAL300034155805	1	44	-1.0	-64.53	371.11	3.76	-60.77
CC1=CC=C([O-])C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=N1	REAL300034155856	1	45	-1.0	-72.67	367.54	4.86	-67.81
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=C[N-]N=CC3=O)C[C@H]2C1	REAL300034155867	0	41	-1.0	-50.24	340.96	0.20	-50.04
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=CC(F)=C3[O-])C[C@H]2C1	REAL300034155874	0	43	-1.0	-77.87	352.52	5.06	-72.81
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=CC([O-])=C3F)C[C@H]2C1	REAL300034155938	1	43	-1.0	-75.41	352.84	3.45	-71.96
O=C(C1=CC(=O)N[N-]1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300034156010	0	40	-1.0	-58.11	334.06	0.59	-57.52
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300034156015	0	45	-1.0	-54.02	373.51	1.57	-52.45
CN1[N-]C(CC(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=CC1=O	REAL300034156019	0	46	-1.0	-65.16	380.35	2.68	-62.48
O=C(C1=CC(=O)N([O-])C=C1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300034156065	0	43	-1.0	-69.40	366.12	4.63	-64.77
O=C(C1=NC(=O)N[N-]1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300034156082	0	39	-1.0	-60.31	328.96	-0.18	-60.49
O=C(C1=CC=CN([O-])C1=O)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300034156087	0	43	-1.0	-62.19	353.50	1.61	-60.58
NC1=CC(=O)[N-]C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=N1	REAL300034156165	0	43	-1.0	-66.04	357.65	0.25	-65.79
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC(F)=CC=C3[O-])C[C@H]2C1	REAL300034156193	1	43	-1.0	-64.17	357.85	4.72	-59.45
CC1=CC=NC(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=C1[O-]	REAL300034156235	1	45	-1.0	-66.67	366.10	5.05	-61.62
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CN=CC([O-])=C3)C[C@H]2C1	REAL300034156295	1	42	-1.0	-60.60	345.77	1.53	-59.07
O=C(CC1=NC([O-])=CS1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300034156388	0	42	-1.0	-81.75	365.09	0.61	-81.14
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=C([O-])C=CC=C3F)C[C@H]2C1	REAL300034156399	0	43	-1.0	-72.87	364.89	3.99	-68.88
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C(F)C=C3[O-])C[C@H]2C1	REAL300034156400	0	43	-1.0	-64.38	356.24	4.80	-59.58
CC1=CC(=O)C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=N[N-]1	REAL300034156494	0	44	-1.0	-67.04	363.91	4.60	-62.44
O=C(C1=CC=CC(=O)N1[O-])N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300034156509	0	43	-1.0	-81.68	363.65	4.05	-77.63
CN1N=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]3C2)[N-]C1=O	REAL300034156555	0	42	-1.0	-61.66	351.96	0.61	-61.05
N#CC1=CC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]3C2)C([O-])=C1	REAL300034156588	0	44	-1.0	-61.84	370.65	5.13	-56.71
N#CC1=CC=C([O-])C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=C1	REAL300034156594	0	44	-1.0	-68.37	367.02	5.42	-62.95
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C(F)C([O-])=C3)C[C@H]2C1	REAL300034156684	1	43	-1.0	-73.52	355.99	3.75	-69.77
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C[C@H]2C1	REAL300034156734	0	41	-1.0	-53.39	347.64	-1.12	-54.51
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C[C@H]2C1	REAL300034156734	1	41	-1.0	-53.39	347.64	-1.12	-54.51
NC1=NC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]3C2)C(=O)N1	REAL300034156770	0	43	-1.0	-65.62	362.40	1.09	-64.53
NC1=NC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]3C2)C(=O)[N-]1	REAL300034156770	1	43	-1.0	-65.62	362.40	1.09	-64.53
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300034156858	0	39	-1.0	-61.26	329.05	0.72	-60.54
CC1SC(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=NC1=O	REAL300034156874	0	42	-1.0	-63.15	361.62	1.24	-61.91
CC1=C([O-])N=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]3C2)S1	REAL300034156874	1	42	-1.0	-63.15	361.62	1.24	-61.91
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)NC([O-])=C3)C[C@H]2C1	REAL300034156973	0	43	-1.0	-51.23	365.52	-0.73	-51.96
CCN1[N-]C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=CC1=O	REAL300034157015	0	46	-1.0	-60.34	378.13	3.20	-57.14
CN1[N-]C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]3C2)=CC1=O	REAL300034157031	0	43	-1.0	-59.85	356.99	2.38	-57.47
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300034157112	1	43	-1.0	-61.12	358.20	1.17	-59.95
O=C(C1=NSNC1=O)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C(F)=C3)C[C@H]2C1	REAL300034157116	1	43	-1.0	-66.17	355.96	3.79	-62.38
CC1=CN=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=NSNC4=O)C[C@@H]3C2)C([O-])=C1	REAL300034157178	1	45	-1.0	-71.99	366.94	4.89	-67.10
O=C(C1=CC([O-])=CS1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300034157191	0	40	-1.0	-71.25	341.66	2.79	-68.46
O=C(C1=CN([O-])C(=O)C=C1)N1C[C@@H]2CCN(C(=O)C3=NSNC3=O)C[C@@H]2C1	REAL300034157202	0	43	-1.0	-66.37	365.68	4.59	-61.78
CN1[N-]C(C(=O)N2CC[C@H]3CN(C(=O)C4=NSNC4=O)C[C@H]3C2)=CC1=O	REAL300034157299	0	43	-1.0	-53.88	356.66	2.48	-51.40
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=NC(=O)[N-]C(=O)N3)C[C@@H]2C1	REAL300034157394	0	41	-1.0	-50.06	349.05	-0.77	-50.83
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=NC(=O)NC(=O)[N-]3)C[C@@H]2C1	REAL300034157394	1	41	-1.0	-50.06	349.05	-0.77	-50.83
O=C(C1=NSNC1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300034157500	0	39	-1.0	-54.57	330.28	0.98	-53.59
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NSNC1=O)C2)C1=CN=C(C2CC2)[N-]C1=O	REAL300034157990	1	42	-1.0	-57.78	364.61	1.65	-56.13
O=C(CCCN1C(=O)[N-]NC1=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NSNC1=O)C2	REAL300034158555	0	43	-1.0	-66.86	377.01	-0.73	-67.59
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NSNC1=O)C2	REAL300034158739	0	41	-1.0	-63.46	366.51	-3.69	-67.15
CC(=O)[N-]C1=NC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=NSNC2=O)C3)=CS1	REAL300034158740	1	39	-1.0	-55.23	360.44	-0.20	-55.43
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NSNC1=O)C2	REAL300034158877	1	42	-1.0	-73.45	370.67	0.68	-72.77
COC1=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=NSNC2=O)C3)NC(=O)[N-]C1=O	REAL300034158976	1	40	-1.0	-63.40	354.17	-2.27	-65.67
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NSNC1=O)C2)C1=NNC(=O)[N-]C1=O	REAL300034159083	0	35	-1.0	-64.15	320.18	-3.59	-67.74
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NSNC1=O)C2	REAL300034159183	0	37	-1.0	-66.54	336.29	-2.16	-68.70
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NSNC1=O)C2)C1=N[N-]C2=CC=CC=C2C1=O	REAL300034159839	0	41	-1.0	-64.90	362.09	3.84	-61.06
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NSNC1=O)C2)C1=CN([O-])C(=O)C=C1	REAL300034159952	0	37	-1.0	-77.04	333.25	2.31	-74.73
O=C(CC1=NC([O-])=CS1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NSNC1=O)C2	REAL300034160980	0	36	-1.0	-76.53	335.54	-1.59	-78.12
CCC1=NC=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300034161001	1	41	-1.0	-56.18	355.69	0.67	-55.51
O=C(CN1N=CC(=O)[N-]C1=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NSNC1=O)C2	REAL300034161013	0	38	-1.0	-66.86	344.69	-3.03	-69.89
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NSNC1=O)C2)C1=C(Cl)C(=O)[N-]S1	REAL300034161085	0	33	-1.0	-60.39	327.83	-0.47	-60.86
COCC1=NC=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=NSNC2=O)C3)C(=O)N1	REAL300034161175	0	42	-1.0	-57.28	368.61	-1.09	-58.37
COCC1=NC=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300034161175	1	42	-1.0	-57.28	368.61	-1.09	-58.37
CC1=CC(=O)C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300034161270	0	38	-1.0	-63.04	337.38	2.28	-60.76
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NSNC1=O)C2)C1=NNC(=O)[N-]1	REAL300034161286	0	33	-1.0	-62.26	304.73	-3.24	-65.50
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O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NSNC1=O)C2)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300034161302	1	38	-1.0	-56.61	347.43	1.24	-55.37
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O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NC=CC=C1O)C2)C1=NSNC1=O	REAL300034161695	0	36	-1.0	-68.20	320.30	2.07	-66.13
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O=C(CCN1C=C[N-]C(=O)C1=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=NSNC1=O	REAL300034161819	1	42	-1.0	-56.98	375.65	0.64	-56.34
CC(=O)NC1=NC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=NSNC2=O)=CS1	REAL300034161831	0	39	-1.0	-47.36	358.83	0.15	-47.21
CC(=O)[N-]C1=NC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=NSNC2=O)=CS1	REAL300034161831	1	39	-1.0	-47.36	358.83	0.15	-47.21
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=NSNC1=O	REAL300034161866	0	35	-1.0	-59.03	319.91	-3.62	-62.65
COC1=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=NSNC2=O)NC(=O)NC1=O	REAL300034161922	0	40	-1.0	-55.50	351.26	-2.36	-57.86
COC1=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=NSNC2=O)NC(=O)[N-]C1=O	REAL300034161922	1	40	-1.0	-55.50	351.26	-2.36	-57.86
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=NSNC1=O	REAL300034162103	0	37	-1.0	-54.86	339.23	-2.09	-56.95
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O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2)C1=NSNC1=O	REAL300034163390	1	42	-1.0	-59.91	373.19	1.16	-58.75
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=CC([O-])=C1F)C2)C1=NSNC1=O	REAL300034164960	1	37	-1.0	-68.26	330.74	1.57	-66.69
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C2)C1=NSNC1=O	REAL300034165045	0	39	-1.0	-65.09	348.73	3.23	-61.86
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)N[N-]1)C2)C1=NSNC1=O	REAL300034165112	0	34	-1.0	-52.87	308.81	-1.54	-54.41
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=NSNC1=O	REAL300034165120	0	39	-1.0	-49.62	342.76	-0.02	-49.64
COCC1=NC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=NSNC2=O)C(=O)N1	REAL300034165189	0	42	-1.0	-58.19	375.29	-1.25	-59.44
COCC1=NC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300034165189	1	42	-1.0	-58.19	375.29	-1.25	-59.44
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=NSNC1=O	REAL300034165251	0	37	-1.0	-71.38	328.59	1.98	-69.40
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NC(=O)N[N-]1)C2)C1=NSNC1=O	REAL300034165286	0	33	-1.0	-50.60	303.53	-2.56	-53.16
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C(O)C=CC=C1Cl)C2)C1=NSNC1=O	REAL300034165291	0	37	-1.0	-55.40	347.22	2.26	-53.14
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C([O-])C=CC=C1Cl)C2)C1=NSNC1=O	REAL300034165291	1	37	-1.0	-55.40	347.22	2.26	-53.14
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=CN([O-])C1=O)C2)C1=NSNC1=O	REAL300034165299	0	37	-1.0	-71.54	337.58	2.29	-69.25
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C(F)C=CC(O)=C1F)C2)C1=NSNC1=O	REAL300034165337	0	37	-1.0	-58.90	344.04	1.82	-57.08
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C(F)C=CC([O-])=C1F)C2)C1=NSNC1=O	REAL300034165337	1	37	-1.0	-58.90	344.04	1.82	-57.08
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(F)=CC=C1O)C2)C1=NSNC1=O	REAL300034165542	0	37	-1.0	-62.93	332.20	2.55	-60.38
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(F)=CC=C1[O-])C2)C1=NSNC1=O	REAL300034165542	1	37	-1.0	-62.93	332.20	2.55	-60.38
CC1=CC=NC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=NSNC2=O)=C1O	REAL300034165637	0	39	-1.0	-67.73	340.68	2.80	-64.93
CC1=CC=NC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=NSNC2=O)=C1[O-]	REAL300034165637	1	39	-1.0	-67.73	340.68	2.80	-64.93
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C(Cl)C(F)=C1[O-])C2)C1=NSNC1=O	REAL300034165697	0	37	-1.0	-68.05	348.13	3.06	-64.99
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CN=CC(O)=C1)C2)C1=NSNC1=O	REAL300034165820	0	36	-1.0	-51.44	317.81	-0.40	-51.84
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CN=CC([O-])=C1)C2)C1=NSNC1=O	REAL300034165820	1	36	-1.0	-51.44	317.81	-0.40	-51.84
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=CC(=S)N1[O-])C2)C1=NSNC1=O	REAL300034165833	0	37	-1.0	-93.45	336.94	4.04	-89.41
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2)C1=NSNC1=O	REAL300034166961	0	39	-1.0	-53.13	344.83	0.48	-52.65
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2)C1=NSNC1=O	REAL300034167004	1	42	-1.0	-74.13	365.95	4.40	-69.73
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C(Cl)C(=O)[N-]S1)C2)C1=NSNC1=O	REAL300034167005	0	33	-1.0	-54.19	324.02	-0.60	-54.79
NC1=NC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300034167029	1	37	-1.0	-58.33	335.73	-1.15	-59.48
CC1=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=NSNC2=O)[N-]C(=O)C(C#N)=C1	REAL300034167063	0	40	-1.0	-46.27	358.62	1.46	-44.81
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C(F)C([O-])=C1F)C2)C1=NSNC1=O	REAL300034167088	0	37	-1.0	-68.04	338.44	1.38	-66.66
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2)C1=NSNC1=O	REAL300034167147	0	37	-1.0	-54.77	345.00	2.13	-52.64
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C2)C1=NSNC1=O	REAL300034167153	1	38	-1.0	-51.69	342.99	0.93	-50.76
COC1=NC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300034167159	0	39	-1.0	-57.74	348.27	-3.20	-60.94
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C3N[N-]N=C3C1=O)C2)C1=NSNC1=O	REAL300034167162	0	39	-1.0	-55.69	352.30	0.23	-55.46
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NC=CC(Cl)=C1[O-])C2)C1=NSNC1=O	REAL300034167175	0	36	-1.0	-65.93	336.76	2.59	-63.34
O=C(CC1=CC=C([O-])C(Cl)=C1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=NSNC1=O	REAL300034167181	1	40	-1.0	-61.62	369.64	3.55	-58.07
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C(Cl)C([O-])=C1)C2)C1=NSNC1=O	REAL300034167222	0	37	-1.0	-50.73	338.76	1.98	-48.75
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=NC=C1[O-])C2)C1=NSNC1=O	REAL300034167233	0	36	-1.0	-69.31	317.21	1.01	-68.30
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NSNC1=O	REAL300034167243	0	33	-1.0	-56.66	304.14	-1.27	-57.93
CC1=C([O-])N=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=NSNC2=O)S1	REAL300034167278	1	36	-1.0	-55.18	336.88	-1.41	-56.59
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C([O-])C=CC3=CC=CC=C31)C2)C1=NSNC1=O	REAL300034167329	1	43	-1.0	-64.37	376.30	4.47	-59.90
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C([O-])C3=CC=CC=C3C=C1)C2)C1=NSNC1=O	REAL300034167349	1	43	-1.0	-75.14	369.70	5.09	-70.05
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC3=CC=CC=C3C=C1[O-])C2)C1=NSNC1=O	REAL300034167357	1	43	-1.0	-74.09	372.22	4.83	-69.26
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C(=O)C1=CC=C([O-])C=C1)C2)C1=NSNC1=O	REAL300034167409	1	39	-1.0	-55.86	346.14	1.70	-54.16
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CN=C(C=N[O-])S1)C2)C1=NSNC1=O	REAL300034167447	0	36	-1.0	-67.34	342.19	-0.33	-67.67
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2)C1=NSNC1=O	REAL300034167483	1	36	-1.0	-50.81	340.35	1.63	-49.18
CSC1=NC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300034167509	1	39	-1.0	-58.50	363.67	0.03	-58.47
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)NC([O-])=C1)C2)C1=NSNC1=O	REAL300034167518	0	37	-1.0	-52.53	330.46	-3.22	-55.75
CCN1[N-]C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=NSNC2=O)=CC1=O	REAL300034167601	0	40	-1.0	-56.53	353.52	1.06	-55.47
CN1[N-]C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=NSNC2=O)=CC1=O	REAL300034167623	0	37	-1.0	-56.85	331.83	0.13	-56.72
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=CC3=C1C(=O)[N-]C3=O)C2)C1=NSNC1=O	REAL300034167637	1	40	-1.0	-65.15	357.16	0.28	-64.87
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=NSNC1=O	REAL300034167641	0	37	-1.0	-57.16	347.93	-1.77	-58.93
CC1=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=NSNC2=O)C(=S)[N-]C(=O)N1	REAL300034167643	1	39	-1.0	-57.44	363.33	-0.38	-57.82
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C([O-])C=NC3=CC=CC=C31)C2)C1=NSNC1=O	REAL300034167714	1	42	-1.0	-60.36	374.11	2.10	-58.26
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=NSNC1=O	REAL300034167823	1	37	-1.0	-57.63	332.57	-0.60	-58.23
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C([O-])C(F)=C1)C2)C1=NSNC1=O	REAL300034167829	1	37	-1.0	-59.74	328.92	1.52	-58.22
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(F)=C([O-])C(F)=C1)C2)C1=NSNC1=O	REAL300034167892	0	37	-1.0	-58.78	336.76	1.31	-57.47
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=NC(Cl)=C1[O-])C2)C1=NSNC1=O	REAL300034167898	0	36	-1.0	-67.15	333.62	1.40	-65.75
CC1=C(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=NSNC2=O)C(=O)N(C)[N-]1	REAL300034167919	0	43	-1.0	-60.60	377.04	1.38	-59.22
O=C(NC1CN2C=CN=C2CN(C(=O)C2=NSNC2=O)C1)C1=COC(=O)[N-]1	REAL300034169470	1	39	-1.0	-55.33	348.69	-1.86	-57.19
O=C(NC1CN2C=CN=C2CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)N[N-]1	REAL300034169556	0	40	-1.0	-56.51	353.52	-0.87	-57.38
O=C(NC1CN2C=CN=C2CN(C(=O)C2=NSNC2=O)C1)C1=NC(=O)N[N-]1	REAL300034169631	0	39	-1.0	-55.36	348.11	-2.17	-57.53
O=C(NC1CN2C=CN=C2CN(C(=O)C2=COC(=O)[N-]2)C1)C1=NSNC1=O	REAL300034170012	1	39	-1.0	-62.39	348.45	-0.72	-63.11
O=C(NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300034170069	0	40	-1.0	-62.95	353.02	-0.74	-63.69
O=C(NC1CN2C=CN=C2CN(C(=O)C2=NC(=O)N[N-]2)C1)C1=NSNC1=O	REAL300034170082	0	39	-1.0	-62.52	348.10	-1.43	-63.95
O=C(NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NSNC1=O	REAL300034170239	0	39	-1.0	-68.65	348.29	-0.83	-69.48
O=C(NC1CN2C=CN=C2CN(C(=O)C2=NSNC2=O)C1)C1=CC(=O)[N-]O1	REAL300034170412	0	39	-1.0	-60.83	348.26	-0.39	-61.22
O=C(NC1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2)C1=COC(=O)[N-]1	REAL300034171115	1	42	-1.0	-49.65	356.91	-1.04	-50.69
O=C(CC1=CC(=O)N[N-]1)NC1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2	REAL300034171193	1	46	-1.0	-55.92	383.62	0.63	-55.29
CN1N=C(C(=O)NC2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300034171202	0	45	-1.0	-57.50	379.00	0.15	-57.35
O=C(NC1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2)C1=C[N-]N=CC1=O	REAL300034171234	0	44	-1.0	-41.24	367.48	2.19	-39.05
O=C(NC1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2)C1=CC(=O)N[N-]1	REAL300034171268	0	43	-1.0	-48.61	363.26	0.02	-48.59
O=C(NC1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2)C1=NC(=O)N[N-]1	REAL300034171439	0	42	-1.0	-48.64	357.85	-1.27	-49.91
O=C(NC1CC2(C1)CCCN(C(=O)C1=NC=CC=C1[O-])C2)C1=NSNC1=O	REAL300034171733	1	45	-1.0	-77.99	377.55	3.14	-74.85
O=C(NC1CC2(C1)CCCN(C(=O)C1=COC(=O)[N-]1)C2)C1=NSNC1=O	REAL300034172208	1	42	-1.0	-67.11	358.22	0.12	-66.99
O=C(NC1CC2(C1)CCCN(C(=O)C1=C[N-]N=CC1=O)C2)C1=NSNC1=O	REAL300034172279	0	44	-1.0	-53.35	371.91	1.47	-51.88
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)N[N-]1)C2)C1=NSNC1=O	REAL300034172338	0	43	-1.0	-50.42	361.62	0.02	-50.40
O=C(NC1CC2(C1)CCCN(C(=O)C1=NC(=O)N[N-]1)C2)C1=NSNC1=O	REAL300034172372	0	42	-1.0	-68.27	357.40	-0.56	-68.83
O=C(NC1CC2(C1)CCCN(C(=O)C1=CN=CC([O-])=C1)C2)C1=NSNC1=O	REAL300034172480	1	45	-1.0	-75.21	376.15	1.01	-74.20
CN1N=C(C(=O)N2CCCC3(CC(NC(=O)C4=NSNC4=O)C3)C2)[N-]C1=O	REAL300034172588	0	45	-1.0	-66.58	380.56	0.22	-66.36
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC=NC=C1[O-])C2)C1=NSNC1=O	REAL300034172718	0	45	-1.0	-80.03	379.21	1.41	-78.62
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NSNC1=O	REAL300034172721	0	42	-1.0	-73.46	357.95	0.11	-73.35
CN1[N-]C(C(=O)N2CCCC3(CC(NC(=O)C4=NSNC4=O)C3)C2)=CC1=O	REAL300034172808	0	46	-1.0	-52.67	383.97	1.66	-51.01
O=C(CC1=CC(=O)N[N-]1)N1CCCC2(CC(NC(=O)C3=NSNC3=O)C2)C1	REAL300034172854	1	46	-1.0	-62.89	385.28	0.37	-62.52
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC([O-])=CS1)C2)C1=NSNC1=O	REAL300034172898	0	43	-1.0	-60.92	370.80	1.81	-59.11
CN1[N-]C(C(=O)NC2CC3(C2)CCCN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300034172957	0	46	-1.0	-51.14	386.04	1.73	-49.41
O=C(NC1CC2(C1)CCCN(C(=O)C1=NSNC1=O)C2)C1=CC(=O)[N-]O1	REAL300034173066	0	42	-1.0	-53.67	357.97	0.50	-53.17
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O)C1=NNC(=O)[N-]C1=O	REAL300034174341	0	38	-1.0	-51.12	329.79	-2.35	-53.47
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O	REAL300034174432	0	40	-1.0	-62.08	349.94	-1.44	-63.52
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O)C1=CN([O-])C(=O)C=C1	REAL300034175058	0	40	-1.0	-62.28	341.09	3.95	-58.33
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O)C1=CC(=O)NC([O-])=C1	REAL300034175178	0	40	-1.0	-52.82	347.51	-1.88	-54.70
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300034175189	1	36	-1.0	-51.63	319.74	-2.04	-53.67
O=C([N-][C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O)C(F)(F)C(F)(F)F	REAL300034175283	1	35	-1.0	-46.92	328.05	1.67	-45.25
CCN1[N-]C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=NSNC2=O)=CC1=O	REAL300034175365	0	43	-1.0	-57.16	368.93	1.59	-55.57
O=C(CC1=CC(=O)N[N-]1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O	REAL300034175373	1	40	-1.0	-66.16	345.08	-0.42	-66.58
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O)C1=CC=CC(=S)N1[O-]	REAL300034175391	0	40	-1.0	-93.93	355.50	5.06	-88.87
O=C(CC1SC(=O)[N-]C1=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O	REAL300034175401	0	40	-1.0	-54.72	358.24	-1.87	-56.59
CN1N=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=NSNC2=O)[N-]C1=O	REAL300034175417	0	39	-1.0	-53.70	337.00	0.11	-53.59
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O)C1=C[N-]N=CC1=O	REAL300034175508	0	38	-1.0	-39.85	319.01	1.75	-38.10
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300034175615	0	37	-1.0	-53.42	324.22	-1.03	-54.45
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O	REAL300034175620	0	42	-1.0	-53.49	363.16	0.27	-53.22
O=C(CCC1=NC(=O)NN1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O	REAL300034175648	0	42	-1.0	-64.39	360.12	-1.36	-65.75
O=C(CCC1=NC(=O)[N-]N1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O	REAL300034175648	1	42	-1.0	-64.39	360.12	-1.36	-65.75
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O)C1=CC=CN([O-])C1=O	REAL300034175652	0	40	-1.0	-59.54	344.40	3.21	-56.33
CC1SC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=NSNC2=O)=NC1=O	REAL300034175681	0	39	-1.0	-51.91	346.53	0.03	-51.88
CC1=C([O-])N=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=NSNC2=O)S1	REAL300034175681	1	39	-1.0	-51.91	346.53	0.03	-51.88
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O)C1=CC(=O)C=C(Cl)N1	REAL300034175695	0	39	-1.0	-50.54	354.54	2.24	-48.30
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300034175695	1	39	-1.0	-50.54	354.54	2.24	-48.30
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O)C1=CC(=O)N([O-])C=C1	REAL300034175714	0	40	-1.0	-62.08	340.66	3.74	-58.34
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O)C1=CC=CC(=O)N1[O-]	REAL300034175749	0	40	-1.0	-89.43	344.39	4.00	-85.43
NC1=NC([O-])=C(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=NSNC2=O)S1	REAL300034175879	0	41	-1.0	-74.61	365.63	-1.98	-76.59
O=C(CC1=NC([O-])=CS1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O	REAL300034175927	0	39	-1.0	-69.09	346.25	-0.16	-69.25
CCC1=NC=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=NSNC2=O)C(=O)N1	REAL300034175945	0	44	-1.0	-43.63	359.57	2.05	-41.58
CCC1=NC=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300034175945	1	44	-1.0	-43.63	359.57	2.05	-41.58
CC1=CC(=O)C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=NSNC2=O)=N[N-]1	REAL300034176173	0	41	-1.0	-56.95	352.97	2.76	-54.19
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O)C1=NNC(=O)[N-]1	REAL300034176188	0	36	-1.0	-57.37	319.06	-2.51	-59.88
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O)C1=CN=C(C=N[O-])S1	REAL300034176305	0	39	-1.0	-67.96	359.76	0.52	-67.44
COC1=NC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300034176320	0	42	-1.0	-50.28	358.92	-2.24	-52.52
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NC=CC=C1[O-])C1=NSNC1=O	REAL300034176577	1	39	-1.0	-60.69	331.59	3.57	-57.12
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NNC(=O)[N-]C1=O)C1=NSNC1=O	REAL300034176693	0	38	-1.0	-61.33	335.98	-3.18	-64.51
O=C(CN1C(=O)[N-]NC1=O)N1CC[C@@H]2[C@H](NC(=O)C3=NSNC3=O)C[C@@H]21	REAL300034176842	0	40	-1.0	-52.92	346.94	-0.98	-53.90
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(Cl)=CC=C1[O-])C1=NSNC1=O	REAL300034178027	1	40	-1.0	-65.37	358.91	3.25	-62.12
N#CC1=CC([O-])=CC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=NSNC4=O)C[C@@H]32)=C1	REAL300034178050	1	41	-1.0	-47.84	356.02	3.00	-44.84
CCC1=NC=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=NSNC4=O)C[C@@H]32)C(=O)[N-]1	REAL300034178121	1	44	-1.0	-62.17	379.18	0.88	-61.29
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=COC(=O)[N-]1)C1=NSNC1=O	REAL300034178137	1	36	-1.0	-52.56	319.65	-1.33	-53.89
O=C(C[N-]C(=O)C(F)(F)F)N1CC[C@@H]2[C@H](NC(=O)C3=NSNC3=O)C[C@@H]21	REAL300034178206	0	39	-1.0	-54.70	357.85	-1.37	-56.07
NC1=NC([O-])=C(CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=NSNC4=O)C[C@@H]32)S1	REAL300034178207	0	41	-1.0	-74.14	369.06	-2.19	-76.33
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C([O-])C=C1F)C1=NSNC1=O	REAL300034178227	1	40	-1.0	-58.59	348.77	1.99	-56.60
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC([O-])=CC(=O)O1)C1=NSNC1=O	REAL300034178233	0	39	-1.0	-54.17	344.40	1.34	-52.83
N#CC1=CC=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=NSNC4=O)C[C@@H]32)C=C1[O-]	REAL300034178239	1	41	-1.0	-41.76	354.98	3.01	-38.75
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(Cl)=NC=C1[O-])C1=NSNC1=O	REAL300034178242	0	39	-1.0	-61.26	353.98	1.25	-60.01
O=C(CN1N=CC(=O)[N-]C1=O)N1CC[C@@H]2[C@H](NC(=O)C3=NSNC3=O)C[C@@H]21	REAL300034178256	0	41	-1.0	-66.96	364.03	-2.79	-69.75
CC1=CC=C([O-])C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=NSNC4=O)C[C@@H]32)=N1	REAL300034178313	1	42	-1.0	-61.57	353.26	4.12	-57.45
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=C[N-]N=CC1=O)C1=NSNC1=O	REAL300034178330	0	38	-1.0	-54.11	338.08	0.57	-53.54
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=CC(F)=C1[O-])C1=NSNC1=O	REAL300034178337	0	40	-1.0	-74.56	348.20	2.98	-71.58
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=CC([O-])=C1F)C1=NSNC1=O	REAL300034178422	1	40	-1.0	-70.42	348.55	1.97	-68.45
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)N[N-]1)C1=NSNC1=O	REAL300034178511	0	37	-1.0	-54.67	324.33	-1.09	-55.76
C[PH](C)([O-])C(=O)C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=NSNC3=O)C[C@@H]21	REAL300034178516	0	42	-1.0	-46.70	351.85	0.74	-45.96
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)N([O-])C=C1)C1=NSNC1=O	REAL300034178598	0	40	-1.0	-55.91	349.18	3.43	-52.48
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NNC(=O)[N-]1)C1=NSNC1=O	REAL300034178623	0	36	-1.0	-58.45	319.20	-2.57	-61.02
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=CN([O-])C1=O)C1=NSNC1=O	REAL300034178628	0	40	-1.0	-78.44	354.40	2.66	-75.78
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(F)=CC=C1O)C1=NSNC1=O	REAL300034178770	0	40	-1.0	-64.70	348.59	2.80	-61.90
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(F)=CC=C1[O-])C1=NSNC1=O	REAL300034178770	1	40	-1.0	-64.70	348.59	2.80	-61.90
CC1=CC=NC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=NSNC4=O)C[C@@H]32)=C1O	REAL300034178830	0	42	-1.0	-60.20	351.97	4.23	-55.97
CC1=CC=NC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=NSNC4=O)C[C@@H]32)=C1[O-]	REAL300034178830	1	42	-1.0	-60.20	351.97	4.23	-55.97
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CN=CC(O)=C1)C1=NSNC1=O	REAL300034178932	0	39	-1.0	-44.66	329.25	0.75	-43.91
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CN=CC([O-])=C1)C1=NSNC1=O	REAL300034178932	1	39	-1.0	-44.66	329.25	0.75	-43.91
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=CC(=S)N1[O-])C1=NSNC1=O	REAL300034178942	0	40	-1.0	-80.94	365.33	3.12	-77.82
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C([O-])C(Cl)=N1)C1=NSNC1=O	REAL300034179044	0	39	-1.0	-43.14	348.60	2.20	-40.94
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C([O-])C=C1Cl)C1=NSNC1=O	REAL300034179085	1	40	-1.0	-57.04	357.46	2.43	-54.61
O=C(CC1=NC([O-])=CS1)N1CC[C@@H]2[C@H](NC(=O)C3=NSNC3=O)C[C@@H]21	REAL300034179092	0	39	-1.0	-76.38	354.53	-1.31	-77.69
O=C(CN1[N-]C(=O)C=CC1=O)N1CC[C@@H]2[C@H](NC(=O)C3=NSNC3=O)C[C@@H]21	REAL300034179106	0	42	-1.0	-63.66	369.80	-0.69	-64.35
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C(F)C=C1[O-])C1=NSNC1=O	REAL300034179107	0	40	-1.0	-67.91	348.54	2.75	-65.16
O=C(CC1SC(=O)[N-]C1=O)N1CC[C@@H]2[C@H](NC(=O)C3=NSNC3=O)C[C@@H]21	REAL300034179193	0	40	-1.0	-54.86	361.78	-2.09	-56.95
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C([O-])C(F)=C1F)C1=NSNC1=O	REAL300034179213	0	40	-1.0	-60.48	354.82	2.05	-58.43
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=CC(Cl)=C1[O-])C1=NSNC1=O	REAL300034179220	0	40	-1.0	-68.93	358.00	3.45	-65.48
CC1=CC(=O)C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=NSNC4=O)C[C@@H]32)=N[N-]1	REAL300034179244	0	41	-1.0	-58.90	352.99	2.69	-56.21
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=CC(=O)N1[O-])C1=NSNC1=O	REAL300034179263	0	40	-1.0	-79.57	354.22	2.50	-77.07
N#CC1=CC=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=NSNC4=O)C[C@@H]32)C(=O)[N-]1	REAL300034179285	0	40	-1.0	-58.47	363.63	0.40	-58.07
CN1N=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=NSNC4=O)C[C@@H]32)[N-]C1=O	REAL300034179329	0	39	-1.0	-61.62	341.75	-0.90	-62.52
N#CC1=CC=C([O-])C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=NSNC4=O)C[C@@H]32)=C1	REAL300034179379	0	41	-1.0	-61.46	363.03	3.14	-58.32
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CN([O-])C(=O)NC1=O)C1=NSNC1=O	REAL300034179463	0	40	-1.0	-57.36	359.43	0.11	-57.25
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C(F)C(O)=C1)C1=NSNC1=O	REAL300034179508	0	40	-1.0	-44.99	341.03	2.64	-42.35
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C(F)C([O-])=C1)C1=NSNC1=O	REAL300034179508	1	40	-1.0	-44.99	341.03	2.64	-42.35
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C(Cl)C=C1O)C1=NSNC1=O	REAL300034179524	0	40	-1.0	-67.58	358.84	3.20	-64.38
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C(Cl)C=C1[O-])C1=NSNC1=O	REAL300034179524	1	40	-1.0	-67.58	358.84	3.20	-64.38
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NC(=O)[N-]C(=O)N1)C1=NSNC1=O	REAL300034179582	0	38	-1.0	-54.23	337.12	-3.55	-57.78
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NC(=O)NC(=O)[N-]1)C1=NSNC1=O	REAL300034179582	1	38	-1.0	-49.91	337.90	-2.79	-52.70
NC1=NC=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=NSNC4=O)C[C@@H]32)C(=O)[N-]1	REAL300034179631	1	40	-1.0	-62.69	352.55	-0.77	-63.46
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C(F)C([O-])=C1F)C1=NSNC1=O	REAL300034179663	0	40	-1.0	-69.92	354.77	2.03	-67.89
COC1=NC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=NSNC4=O)C[C@@H]32)=CC(=O)[N-]1	REAL300034179706	0	42	-1.0	-60.31	363.25	-2.55	-62.86
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NC=CC(Cl)=C1[O-])C1=NSNC1=O	REAL300034179712	0	39	-1.0	-56.81	347.84	4.07	-52.74
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C(Cl)C([O-])=C1)C1=NSNC1=O	REAL300034179743	0	40	-1.0	-41.89	350.84	3.13	-38.76
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=NC=C1[O-])C1=NSNC1=O	REAL300034179751	0	39	-1.0	-67.44	336.84	1.02	-66.42
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=NSNC1=O	REAL300034179756	0	36	-1.0	-50.44	314.78	0.05	-50.39
CC1=C([O-])N=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=NSNC4=O)C[C@@H]32)S1	REAL300034179775	1	39	-1.0	-57.39	351.24	-0.49	-57.88
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C(=O)C1=CC=C([O-])C=C1)C1=NSNC1=O	REAL300034179860	1	42	-1.0	-57.72	361.92	2.10	-55.62
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CN=C(C=N[O-])S1)C1=NSNC1=O	REAL300034179878	0	39	-1.0	-59.34	351.44	0.59	-58.75
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=NSNC1=O	REAL300034179898	1	39	-1.0	-44.04	349.63	3.39	-40.65
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)NC([O-])=C1)C1=NSNC1=O	REAL300034179918	0	40	-1.0	-52.43	355.22	-2.20	-54.63
CCN1[N-]C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=NSNC4=O)C[C@@H]32)=CC1=O	REAL300034179975	0	43	-1.0	-50.76	362.98	2.29	-48.47
CN1[N-]C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=NSNC4=O)C[C@@H]32)=CC1=O	REAL300034179991	0	40	-1.0	-57.64	347.22	0.60	-57.04
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@H](NC(=O)C3=NSNC3=O)C[C@@H]21	REAL300034180000	0	40	-1.0	-58.90	364.66	-1.36	-60.26
O=C(CC1=CC(=O)N[N-]1)N1CC[C@@H]2[C@H](NC(=O)C3=NSNC3=O)C[C@@H]21	REAL300034180110	1	40	-1.0	-65.59	348.42	-0.58	-66.17
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C([O-])C(F)=C1)C1=NSNC1=O	REAL300034180115	1	40	-1.0	-48.48	341.00	2.68	-45.80
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(F)=C([O-])C(F)=C1)C1=NSNC1=O	REAL300034180152	0	40	-1.0	-60.05	351.01	1.92	-58.13
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=NC(Cl)=C1[O-])C1=NSNC1=O	REAL300034180156	0	39	-1.0	-66.05	353.29	1.30	-64.75
CC1=C(CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=NSNC4=O)C[C@@H]32)C(=O)N(C)[N-]1	REAL300034180170	0	46	-1.0	-55.54	384.74	2.53	-53.01
CC1=CN=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=NSNC4=O)C[C@@H]32)C([O-])=C1	REAL300034180205	1	42	-1.0	-70.87	357.41	3.26	-67.61
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC([O-])=CS1)C1=NSNC1=O	REAL300034180226	0	37	-1.0	-67.28	331.21	0.86	-66.42
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CN([O-])C(=O)C=C1)C1=NSNC1=O	REAL300034180239	0	40	-1.0	-53.63	349.24	3.46	-50.17
CN1[N-]C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=NSNC2=O)=CC1=O	REAL300034180401	0	40	-1.0	-56.23	347.03	0.69	-55.54
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O	REAL300034180408	0	40	-1.0	-60.06	361.53	-1.21	-61.27
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O)C1=NC(=O)[N-]C(=O)N1	REAL300034180570	0	38	-1.0	-49.28	332.90	-3.13	-52.41
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O)C1=NC(=O)NC(=O)[N-]1	REAL300034180570	1	38	-1.0	-49.14	337.96	-3.33	-52.47
O=C(CN1[N-]C(=O)C=CC1=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O	REAL300034180721	0	42	-1.0	-62.86	366.20	-0.48	-63.34
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300034180729	0	36	-1.0	-57.44	318.96	-0.54	-57.98
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NSNC1=O)C1=CN([O-])C(=O)NC1=O	REAL300034180742	0	40	-1.0	-48.93	340.00	1.24	-47.69
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]21)C1=CN=C(C2CC2)[N-]C1=O	REAL300034181251	1	42	-1.0	-57.51	367.16	1.49	-56.02
O=C(CCCN1C(=O)[N-]NC1=O)N[C@@H]1[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]21	REAL300034181816	0	43	-1.0	-70.32	381.57	-0.66	-70.98
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@@H]1[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]21	REAL300034182000	0	41	-1.0	-61.20	366.84	-3.56	-64.76
CC(=O)[N-]C1=NC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=NSNC4=O)[C@H]32)=CS1	REAL300034182001	1	39	-1.0	-53.81	361.08	-0.05	-53.86
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@@H]1[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]21	REAL300034182138	1	42	-1.0	-68.98	372.81	0.62	-68.36
COC1=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=NSNC4=O)[C@H]32)NC(=O)[N-]C1=O	REAL300034182237	1	40	-1.0	-65.24	358.32	-2.25	-67.49
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]21)C1=NNC(=O)[N-]C1=O	REAL300034182344	0	35	-1.0	-68.27	324.75	-3.56	-71.83
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]21	REAL300034182444	0	37	-1.0	-71.02	339.20	-1.91	-72.93
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]21)C1=CC(=O)C=C(Cl)[N-]1	REAL300034183966	1	36	-1.0	-59.34	343.32	1.81	-57.53
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]21)C1=CC(=O)N([O-])C=C1	REAL300034183984	0	37	-1.0	-80.39	336.18	2.58	-77.81
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]21)C1=CC=CC(=O)N1[O-]	REAL300034184036	0	37	-1.0	-98.75	333.31	3.55	-95.20
O=C(C[N-]C(=O)C(F)(F)F)N[C@@H]1[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]21	REAL300034184184	0	36	-1.0	-62.84	343.28	-1.60	-64.44
NC1=NC([O-])=C(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=NSNC4=O)[C@H]32)S1	REAL300034184185	0	38	-1.0	-72.32	352.47	-2.57	-74.89
O=C(CC1=NC([O-])=CS1)N[C@@H]1[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]21	REAL300034184241	0	36	-1.0	-81.81	340.06	-1.59	-83.40
CCC1=NC=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=NSNC4=O)[C@H]32)C(=O)[N-]1	REAL300034184262	1	41	-1.0	-56.52	356.11	0.88	-55.64
O=C(CN1N=CC(=O)[N-]C1=O)N[C@@H]1[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]21	REAL300034184274	0	38	-1.0	-65.16	346.98	-3.14	-68.30
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]21)C1=C(Cl)C(=O)[N-]S1	REAL300034184346	0	33	-1.0	-63.08	330.76	-0.18	-63.26
COCC1=NC=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=NSNC4=O)[C@H]32)C(=O)N1	REAL300034184436	0	42	-1.0	-57.27	369.04	-0.88	-58.15
COCC1=NC=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=NSNC4=O)[C@H]32)C(=O)[N-]1	REAL300034184436	1	42	-1.0	-57.27	369.04	-0.88	-58.15
CC1=CC(=O)C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=NSNC4=O)[C@H]32)=N[N-]1	REAL300034184531	0	38	-1.0	-67.94	341.92	2.28	-65.66
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]21)C1=NNC(=O)[N-]1	REAL300034184547	0	33	-1.0	-66.41	307.77	-2.96	-69.37
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]21)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300034184563	0	38	-1.0	-60.87	350.32	1.50	-59.37
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]21)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300034184563	1	38	-1.0	-60.87	350.32	1.50	-59.37
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]21)C1=CN=C(C=N[O-])S1	REAL300034184682	0	36	-1.0	-69.76	346.31	-0.05	-69.81
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NC=CC=C3O)[C@H]21)C1=NSNC1=O	REAL300034184956	0	36	-1.0	-71.22	322.80	2.00	-69.22
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NC=CC=C3[O-])[C@H]21)C1=NSNC1=O	REAL300034184956	1	36	-1.0	-71.22	322.80	2.00	-69.22
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC[C@@H]2[C@@H](NC(=O)C3=NSNC3=O)[C@@H]21	REAL300034185072	1	42	-1.0	-70.80	378.25	0.44	-70.36
CC(=O)[N-]C1=NC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=NSNC4=O)[C@@H]32)=CS1	REAL300034185082	1	39	-1.0	-53.38	360.99	0.13	-53.25
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NNC(=O)[N-]C3=O)[C@H]21)C1=NSNC1=O	REAL300034185110	0	35	-1.0	-61.67	322.35	-3.79	-65.46
COC1=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=NSNC4=O)[C@@H]32)NC(=O)[N-]C1=O	REAL300034185158	1	40	-1.0	-65.89	359.54	-2.43	-68.32
O=C(CN1C(=O)[N-]NC1=O)N1CC[C@@H]2[C@@H](NC(=O)C3=NSNC3=O)[C@@H]21	REAL300034185314	0	37	-1.0	-60.54	340.29	-2.31	-62.85
O=C(CCCN1C(=O)[N-]NC1=O)N1CC[C@@H]2[C@@H](NC(=O)C3=NSNC3=O)[C@@H]21	REAL300034186206	0	43	-1.0	-65.49	384.79	-0.97	-66.46
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)[C@H]21)C1=NSNC1=O	REAL300034186400	1	42	-1.0	-81.37	379.92	1.02	-80.35
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NC(=O)N[N-]3)[C@H]21)C1=NSNC1=O	REAL300034187991	0	33	-1.0	-56.74	305.81	-2.40	-59.14
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=CN([O-])C3=O)[C@H]21)C1=NSNC1=O	REAL300034188001	0	37	-1.0	-100.36	344.31	2.16	-98.20
NC1=CC(=O)[N-]C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=NSNC4=O)[C@@H]32)=N1	REAL300034188131	0	37	-1.0	-66.69	334.90	-2.01	-68.70
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)[C@H]21)C1=NSNC1=O	REAL300034188191	0	37	-1.0	-57.11	345.23	1.76	-55.35
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(F)=CC=C3[O-])[C@H]21)C1=NSNC1=O	REAL300034188197	1	37	-1.0	-63.85	334.91	2.45	-61.40
CC1=CC=NC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=NSNC4=O)[C@@H]32)=C1[O-]	REAL300034188281	1	39	-1.0	-70.85	343.09	2.68	-68.17
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C(Cl)C(F)=C3[O-])[C@H]21)C1=NSNC1=O	REAL300034188333	0	37	-1.0	-68.39	350.69	3.12	-65.27
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CN=CC([O-])=C3)[C@H]21)C1=NSNC1=O	REAL300034188440	1	36	-1.0	-61.49	324.24	-0.68	-62.17
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=CC(=S)N3[O-])[C@H]21)C1=NSNC1=O	REAL300034188452	0	37	-1.0	-93.82	343.07	3.76	-90.06
NC1=CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=NSNC4=O)[C@@H]32)=CC([O-])=C1Cl	REAL300034188599	1	39	-1.0	-63.66	357.40	-0.35	-64.01
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C([O-])C(Cl)=N3)[C@H]21)C1=NSNC1=O	REAL300034188603	0	36	-1.0	-51.49	341.15	0.81	-50.68
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C([O-])C=C3Cl)[C@H]21)C1=NSNC1=O	REAL300034188663	1	37	-1.0	-65.46	346.14	1.88	-63.58
N#CC1=CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=NSNC4=O)[C@@H]32)=C([O-])C=C1N	REAL300034188665	0	40	-1.0	-74.70	364.33	0.99	-73.71
O=C(CC1=NC([O-])=CS1)N1CC[C@@H]2[C@@H](NC(=O)C3=NSNC3=O)[C@@H]21	REAL300034188674	0	36	-1.0	-72.21	341.12	-1.97	-74.18
O=C(CN1[N-]C(=O)C=CC1=O)N1CC[C@@H]2[C@@H](NC(=O)C3=NSNC3=O)[C@@H]21	REAL300034188695	0	39	-1.0	-69.13	358.62	-1.23	-70.36
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C(F)C=C3[O-])[C@H]21)C1=NSNC1=O	REAL300034188697	0	37	-1.0	-81.14	337.23	2.76	-78.38
O=C(CC1SC(=O)[N-]C1=O)N1CC[C@@H]2[C@@H](NC(=O)C3=NSNC3=O)[C@@H]21	REAL300034188812	0	37	-1.0	-60.19	350.54	-2.65	-62.84
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C([O-])C(F)=C3F)[C@H]21)C1=NSNC1=O	REAL300034188839	0	37	-1.0	-60.88	341.03	1.35	-59.53
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC([N+](=O)[O-])=C[N-]C3=O)[C@H]21)C1=NSNC1=O	REAL300034188842	1	38	-1.0	-58.75	360.37	0.14	-58.61
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=CC(Cl)=C3[O-])[C@H]21)C1=NSNC1=O	REAL300034188847	0	37	-1.0	-75.19	342.51	3.35	-71.84
CC1=CC(=O)C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=NSNC4=O)[C@@H]32)=N[N-]1	REAL300034188879	0	38	-1.0	-61.09	339.51	2.07	-59.02
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC[C@@H]2[C@@H](NC(=O)C3=NSNC3=O)[C@@H]21	REAL300034188884	0	42	-1.0	-82.45	374.19	1.84	-80.61
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=CC(=O)N3[O-])[C@H]21)C1=NSNC1=O	REAL300034188911	0	37	-1.0	-92.94	331.95	2.70	-90.24
N#CC1=CC=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=NSNC4=O)[C@@H]32)C(=O)[N-]1	REAL300034188947	0	37	-1.0	-58.38	354.02	-0.14	-58.52
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC[C@@H]2[C@@H](NC(=O)C3=NSNC3=O)[C@@H]21	REAL300034188948	0	39	-1.0	-65.89	363.50	-5.59	-71.48
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3=NSNC3=O)[C@@H]21	REAL300034188948	1	39	-1.0	-55.78	361.31	-5.65	-61.43
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NSNC3=O)[C@H]21)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300034190958	1	38	-1.0	-48.68	347.75	0.73	-47.95
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300034192126	1	40	-1.0	-50.16	341.85	-0.63	-50.79
O=C(CC1=CC(=O)N[N-]1)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=NSNC1=O	REAL300034192198	1	44	-1.0	-59.07	366.85	1.03	-58.04
CN1N=C(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=NSNC2=O)[N-]C1=O	REAL300034192204	0	43	-1.0	-55.55	363.50	0.58	-54.97
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=NSNC1=O)C1=C[N-]N=CC1=O	REAL300034192233	0	42	-1.0	-42.51	350.79	2.50	-40.01
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300034192264	0	41	-1.0	-49.59	346.26	0.37	-49.22
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=NSNC1=O)C1=NC(=O)N[N-]1	REAL300034192419	0	40	-1.0	-49.41	341.37	-0.94	-50.35
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=NC=CC=C1[O-])C1=NSNC1=O	REAL300034192702	1	43	-1.0	-72.27	358.58	3.92	-68.35
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=COC(=O)[N-]1)C1=NSNC1=O	REAL300034193227	1	40	-1.0	-64.72	341.82	0.09	-64.63
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=C[N-]N=CC1=O)C1=NSNC1=O	REAL300034193303	0	42	-1.0	-64.30	359.49	1.77	-62.53
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)N[N-]1)C1=NSNC1=O	REAL300034193366	0	41	-1.0	-62.32	346.66	0.21	-62.11
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=NC(=O)N[N-]1)C1=NSNC1=O	REAL300034193400	0	40	-1.0	-64.52	341.51	-0.53	-65.05
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CN=CC([O-])=C1)C1=NSNC1=O	REAL300034193519	1	43	-1.0	-65.96	355.91	1.20	-64.76
CN1N=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300034193636	0	43	-1.0	-68.17	363.71	0.39	-67.78
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC=NC=C1[O-])C1=NSNC1=O	REAL300034193780	0	43	-1.0	-73.49	356.42	2.34	-71.15
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1=NSNC1=O	REAL300034193783	0	40	-1.0	-66.90	341.63	0.35	-66.55
CN1[N-]C(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300034193874	0	44	-1.0	-64.44	368.98	1.92	-62.52
O=C(CC1=CC(=O)N[N-]1)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=NSNC1=O)C2	REAL300034193924	1	44	-1.0	-64.00	370.32	0.61	-63.39
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC([O-])=CS1)C1=NSNC1=O	REAL300034193970	0	41	-1.0	-69.90	351.72	1.90	-68.00
CN1[N-]C(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=NSNC2=O)=CC1=O	REAL300034194027	0	44	-1.0	-52.44	369.44	2.05	-50.39
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300034194125	0	40	-1.0	-54.45	341.43	0.85	-53.60
O=C(NC1(C2CCCN2C(=O)C2=NSNC2=O)CC1)C1=NNC(=O)[N-]C1=O	REAL300034194837	0	41	-1.0	-61.62	353.71	-2.58	-64.20
O=C(CN1C(=O)[N-]NC1=O)NC1(C2CCCN2C(=O)C2=NSNC2=O)CC1	REAL300034194881	0	43	-1.0	-65.00	369.75	-0.34	-65.34
O=C(NC1(C2CCCN2C(=O)C2=NSNC2=O)CC1)C1=CN([O-])C(=O)C=C1	REAL300034195194	0	43	-1.0	-75.64	359.64	3.52	-72.12
O=C(NC1(C2CCCN2C(=O)C2=NSNC2=O)CC1)C1=CC(=O)NC([O-])=C1	REAL300034195262	0	43	-1.0	-53.77	364.41	-1.17	-54.94
O=C(NC1(C2CCCN2C(=O)C2=NSNC2=O)CC1)C1=COC(=O)[N-]1	REAL300034195273	1	39	-1.0	-52.18	339.02	-1.22	-53.40
CCN1[N-]C(C(=O)NC2(C3CCCN3C(=O)C3=NSNC3=O)CC2)=CC1=O	REAL300034195378	0	46	-1.0	-63.65	381.57	2.10	-61.55
O=C(CC1=CC(=O)N[N-]1)NC1(C2CCCN2C(=O)C2=NSNC2=O)CC1	REAL300034195384	1	43	-1.0	-67.94	364.75	0.70	-67.24
CN1N=C(C(=O)NC2(C3CCCN3C(=O)C3=NSNC3=O)CC2)[N-]C1=O	REAL300034195404	0	42	-1.0	-66.17	354.27	-0.34	-66.51
O=C(NC1(C2CCCN2C(=O)C2=NSNC2=O)CC1)C1=C[N-]N=CC1=O	REAL300034195453	0	41	-1.0	-54.06	341.24	1.60	-52.46
O=C(NC1(C2CCCN2C(=O)C2=NSNC2=O)CC1)C1=CC(=O)N[N-]1	REAL300034195511	0	40	-1.0	-55.84	342.16	-0.35	-56.19
C[PH](C)([O-])C(=O)C(=O)NC1(C2CCCN2C(=O)C2=NSNC2=O)CC1	REAL300034195515	0	45	-1.0	-56.47	380.37	0.95	-55.52
O=C(CCC1=NC(=O)NN1)NC1(C2CCCN2C(=O)C2=NSNC2=O)CC1	REAL300034195535	0	45	-1.0	-64.15	377.38	-0.64	-64.79
O=C(CCC1=NC(=O)[N-]N1)NC1(C2CCCN2C(=O)C2=NSNC2=O)CC1	REAL300034195535	1	45	-1.0	-64.15	377.38	-0.64	-64.79
O=C(NC1(C2CCCN2C(=O)C2=NSNC2=O)CC1)C1=CC=CN([O-])C1=O	REAL300034195538	0	43	-1.0	-70.96	357.26	3.69	-67.27
CC1SC(C(=O)NC2(C3CCCN3C(=O)C3=NSNC3=O)CC2)=NC1=O	REAL300034195558	0	42	-1.0	-64.97	363.79	-0.45	-65.42
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CCN1[N-]C(C(=O)NC2(CF)CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034202353	0	42	-1.0	-64.41	368.43	0.78	-63.63
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CC1=C([O-])N=C(C(=O)N2C3CCC2C(CNC(=O)C2=NSNC2=O)C3)S1	REAL300034211786	1	42	-1.0	-67.41	374.98	0.14	-67.27
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CCN1[N-]C(C(=O)N2C3CCC2C(CNC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300034211927	0	46	-1.0	-69.86	392.59	2.17	-67.69
CN1[N-]C(C(=O)N2C3CCC2C(CNC(=O)C2=NSNC2=O)C3)=CC1=O	REAL300034211943	0	43	-1.0	-68.92	370.86	1.24	-67.68
O=C(CC1=CC(=O)N[N-]1)N1C2CCC1C(CNC(=O)C1=NSNC1=O)C2	REAL300034212024	1	43	-1.0	-74.86	372.73	0.03	-74.83
O=C(NCC1CC2CCC1N2C(=O)C1=CC=C([O-])C(F)=C1)C1=NSNC1=O	REAL300034212028	1	43	-1.0	-59.67	366.96	2.37	-57.30
CC1=CN=C(C(=O)N2C3CCC2C(CNC(=O)C2=NSNC2=O)C3)C([O-])=C1	REAL300034212090	1	45	-1.0	-69.13	376.77	3.69	-65.44
O=C(NCC1CC2CCC1N2C(=O)C1=CC([O-])=CS1)C1=NSNC1=O	REAL300034212103	0	40	-1.0	-77.39	354.98	1.41	-75.98
O=C(NCC1CC2CCC1N2C(=O)C1=CN([O-])C(=O)C=C1)C1=NSNC1=O	REAL300034212114	0	43	-1.0	-81.67	373.44	3.09	-78.58
CN1[N-]C(C(=O)NCC2CC3CCC2N3C(=O)C2=NSNC2=O)=CC1=O	REAL300034212211	0	43	-1.0	-61.24	370.84	1.29	-59.95
O=C(NCC1CC2CCC1N2C(=O)C1=NSNC1=O)C1=NC(=O)[N-]C(=O)N1	REAL300034212306	0	41	-1.0	-53.36	361.79	-2.72	-56.08
O=C(NCC1CC2CCC1N2C(=O)C1=NSNC1=O)C1=NC(=O)NC(=O)[N-]1	REAL300034212306	1	41	-1.0	-53.36	361.79	-2.72	-56.08
O=C(NCC1CC2CCC1N2C(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300034212412	0	39	-1.0	-61.47	342.76	0.07	-61.40
CC(NC(=O)C1=NNC(=O)[N-]C1=O)C1(O)CCN(C(=O)C2=NSNC2=O)C1	REAL300034213079	0	41	-1.0	-64.56	362.87	-6.24	-70.80
CC(NC(=O)CN1C(=O)[N-]NC1=O)C1(O)CCN(C(=O)C2=NSNC2=O)C1	REAL300034213117	0	43	-1.0	-62.82	378.04	-4.70	-67.52
CC(NC(=O)C1=CN([O-])C(=O)C=C1)C1(O)CCN(C(=O)C2=NSNC2=O)C1	REAL300034213391	0	43	-1.0	-70.64	375.26	-0.18	-70.82
CC(NC(=O)C1=CC(=O)NC([O-])=C1)C1(O)CCN(C(=O)C2=NSNC2=O)C1	REAL300034213454	0	43	-1.0	-58.25	375.74	-5.08	-63.33
CC(NC(=O)C1=COC(=O)[N-]1)C1(O)CCN(C(=O)C2=NSNC2=O)C1	REAL300034213464	1	39	-1.0	-61.72	346.49	-5.16	-66.88
CCN1[N-]C(C(=O)NC(C)C2(O)CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034213556	0	46	-1.0	-64.43	395.86	-1.52	-65.95
CC(NC(=O)CC1=CC(=O)N[N-]1)C1(O)CCN(C(=O)C2=NSNC2=O)C1	REAL300034213562	1	43	-1.0	-64.89	373.31	-3.62	-68.51
CC(NC(=O)C1=NN(C)C(=O)[N-]1)C1(O)CCN(C(=O)C2=NSNC2=O)C1	REAL300034213577	0	42	-1.0	-67.05	368.56	-3.96	-71.01
CC(NC(=O)C1=C[N-]N=CC1=O)C1(O)CCN(C(=O)C2=NSNC2=O)C1	REAL300034213619	0	41	-1.0	-45.07	356.53	-2.15	-47.22
CC(NC(=O)C1=CC(=O)N[N-]1)C1(O)CCN(C(=O)C2=NSNC2=O)C1	REAL300034213667	0	40	-1.0	-60.92	351.31	-4.16	-65.08
CC(NC(=O)C(=O)[PH](C)(C)[O-])C1(O)CCN(C(=O)C2=NSNC2=O)C1	REAL300034213671	0	45	-1.0	-61.33	385.49	-2.62	-63.95
CC(NC(=O)CCC1=NC(=O)NN1)C1(O)CCN(C(=O)C2=NSNC2=O)C1	REAL300034213688	0	45	-1.0	-63.38	388.55	-4.61	-67.99
CC(NC(=O)CCC1=NC(=O)[N-]N1)C1(O)CCN(C(=O)C2=NSNC2=O)C1	REAL300034213688	1	45	-1.0	-63.38	388.55	-4.61	-67.99
CC(NC(=O)C1=CC=CN([O-])C1=O)C1(O)CCN(C(=O)C2=NSNC2=O)C1	REAL300034213690	0	43	-1.0	-62.07	372.51	-0.08	-62.15
CC(NC(=O)C1=NC(=O)C(C)S1)C1(O)CCN(C(=O)C2=NSNC2=O)C1	REAL300034213706	0	42	-1.0	-67.85	377.86	-4.04	-71.89
CC1=C([O-])N=C(C(=O)NC(C)C2(O)CCN(C(=O)C3=NSNC3=O)C2)S1	REAL300034213706	1	42	-1.0	-67.85	377.86	-4.04	-71.89
CC(NC(=O)C1=CC(=O)N([O-])C=C1)C1(O)CCN(C(=O)C2=NSNC2=O)C1	REAL300034213716	0	43	-1.0	-72.33	374.34	-0.10	-72.43
CC(NC(=O)C1=CC=CC(=O)N1[O-])C1(O)CCN(C(=O)C2=NSNC2=O)C1	REAL300034213733	0	43	-1.0	-86.01	372.83	0.87	-85.14
CC(NC(=O)CC1=NC([O-])=CS1)C1(O)CCN(C(=O)C2=NSNC2=O)C1	REAL300034213814	0	42	-1.0	-74.16	379.16	-4.34	-78.50
CC1=CC(=O)C(C(=O)NC(C)C2(O)CCN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300034213932	0	44	-1.0	-64.61	380.03	-0.38	-64.99
CC(NC(=O)C1=NNC(=O)[N-]1)C1(O)CCN(C(=O)C2=NSNC2=O)C1	REAL300034213939	0	39	-1.0	-64.17	345.80	-5.63	-69.80
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300034215184	1	39	-1.0	-50.24	347.91	-4.56	-54.80
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300034215245	1	43	-1.0	-59.29	373.89	-1.27	-60.56
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300034215248	0	42	-1.0	-52.06	372.77	-1.87	-53.93
CC1=CC=C([O-])C(C(=O)N2CCC(O)(C(C)NC(=O)C3=NSNC3=O)C2)=N1	REAL300034215292	1	45	-1.0	-68.13	384.77	0.06	-68.07
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300034215293	1	45	-1.0	-61.90	391.88	-4.77	-66.67
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300034215302	0	41	-1.0	-49.61	366.38	-2.64	-52.25
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300034215309	0	43	-1.0	-68.21	376.45	-0.32	-68.53
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300034215360	1	43	-1.0	-65.83	376.71	-1.24	-67.07
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300034215421	0	40	-1.0	-51.79	352.75	-4.32	-56.11
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300034215426	0	45	-1.0	-53.28	385.82	-2.93	-56.21
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300034215471	0	43	-1.0	-72.08	371.92	-0.86	-72.94
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=NNC(=O)[N-]2)C1	REAL300034215485	0	39	-1.0	-55.04	347.57	-5.75	-60.79
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300034215488	0	43	-1.0	-72.56	382.70	-0.54	-73.10
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300034215582	0	43	-1.0	-59.43	376.64	-0.31	-59.74
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300034215582	1	43	-1.0	-59.43	376.64	-0.31	-59.74
CC1=CC=NC(C(=O)N2CCC(O)(C(C)NC(=O)C3=NSNC3=O)C2)=C1O	REAL300034215622	0	45	-1.0	-64.65	384.74	0.08	-64.57
CC1=CC=NC(C(=O)N2CCC(O)(C(C)NC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300034215622	1	45	-1.0	-64.65	384.74	0.08	-64.57
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=CN=CC(O)=C2)C1	REAL300034215676	0	42	-1.0	-60.24	361.30	-3.23	-63.47
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300034215676	1	42	-1.0	-60.24	361.30	-3.23	-63.47
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300034215748	0	42	-1.0	-73.44	382.62	-4.50	-77.94
CC1=CC(=O)C(C(=O)N2CCC(O)(C(C)NC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300034215841	0	44	-1.0	-55.22	381.21	-0.51	-55.73
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300034215855	0	43	-1.0	-71.45	382.46	-0.73	-72.18
CC(NC(=O)C1=NSNC1=O)C1(O)CCN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300034215896	0	42	-1.0	-58.54	370.26	-4.14	-62.68
O=C(C1=NSNC1=O)N1CC2CC1CN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300034218332	0	38	-1.0	-64.38	326.87	-1.51	-65.89
O=C(CN1C(=O)[N-]NC1=O)N1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2	REAL300034218423	0	40	-1.0	-61.00	344.03	-0.10	-61.10
O=C(C1=NSNC1=O)N1CC2CC1CN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300034219049	0	40	-1.0	-73.06	345.26	4.32	-68.74
O=C(C1=NSNC1=O)N1CC2CC1CN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300034219169	0	40	-1.0	-54.67	340.69	-0.87	-55.54
O=C(C1=NSNC1=O)N1CC2CC1CN(C(=O)C1=COC(=O)[N-]1)C2	REAL300034219180	1	36	-1.0	-50.80	309.95	0.77	-50.03
CCN1[N-]C(C(=O)N2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300034219356	0	43	-1.0	-60.73	359.73	3.32	-57.41
O=C(CC1=CC(=O)N[N-]1)N1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2	REAL300034219364	1	40	-1.0	-62.44	338.86	1.06	-61.38
O=C(C1=NSNC1=O)N1CC2CC1CN(C(=O)C1=CC=CC(=S)N1[O-])C2	REAL300034219382	0	40	-1.0	-74.72	356.14	4.62	-70.10
O=C(CC1SC(=O)[N-]C1=O)N1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2	REAL300034219392	0	40	-1.0	-56.93	351.97	-0.43	-57.36
CN1N=C(C(=O)N2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300034219408	0	39	-1.0	-67.86	332.71	0.87	-66.99
O=C(C1=NSNC1=O)N1CC2CC1CN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300034219499	0	38	-1.0	-59.66	328.38	2.18	-57.48
O=C(C1=NSNC1=O)N1CC2CC1CN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300034219606	0	37	-1.0	-56.90	315.18	0.68	-56.22
C[PH](C)([O-])C(=O)C(=O)N1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2	REAL300034219611	0	42	-1.0	-58.94	354.30	1.68	-57.26
O=C(C1=NSNC1=O)N1CC2CC1CN(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300034219643	0	40	-1.0	-65.32	337.54	4.03	-61.29
CC1SC(C(=O)N2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)=NC1=O	REAL300034219672	0	39	-1.0	-56.46	342.40	1.45	-55.01
CC1=C([O-])N=C(C(=O)N2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)S1	REAL300034219672	1	39	-1.0	-56.46	342.40	1.45	-55.01
O=C(C1=NSNC1=O)N1CC2CC1CN(C(=O)C1=CC(=O)C=C(Cl)N1)C2	REAL300034219686	0	39	-1.0	-52.55	346.02	4.14	-48.41
O=C(C1=NSNC1=O)N1CC2CC1CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2	REAL300034219686	1	39	-1.0	-52.55	346.02	4.14	-48.41
O=C(C1=NSNC1=O)N1CC2CC1CN(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300034219705	0	40	-1.0	-74.63	345.73	4.23	-70.40
O=C(C1=NSNC1=O)N1CC2CC1CN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300034219740	0	40	-1.0	-74.26	345.03	4.00	-70.26
NC1=NC([O-])=C(CC(=O)N2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)S1	REAL300034219870	0	41	-1.0	-76.00	359.71	-0.51	-76.51
O=C(CC1=NC([O-])=CS1)N1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2	REAL300034219918	0	39	-1.0	-72.38	344.87	0.27	-72.11
CCC1=NC=C(C(=O)N2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)C(=O)N1	REAL300034219936	0	44	-1.0	-61.88	362.97	2.40	-59.48
CCC1=NC=C(C(=O)N2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300034219936	1	44	-1.0	-61.88	362.97	2.40	-59.48
CC1=CC(=O)C(C(=O)N2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300034220164	0	41	-1.0	-62.80	344.07	4.38	-58.42
O=C(C1=NSNC1=O)N1CC2CC1CN(C(=O)C1=NNC(=O)[N-]1)C2	REAL300034220179	0	36	-1.0	-64.68	309.53	-0.83	-65.51
O=C(C1=NSNC1=O)N1CC2CC1CN(C(=O)C1=CN=C(C=N[O-])S1)C2	REAL300034220296	0	39	-1.0	-69.15	351.22	1.71	-67.44
COC1=NC(C(=O)N2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)=CC(=O)[N-]1	REAL300034220311	0	42	-1.0	-61.84	353.46	-0.79	-62.63
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=NC=CC=C1[O-])C2	REAL300034220568	1	39	-1.0	-66.44	327.33	4.25	-62.19
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300034220684	0	38	-1.0	-59.14	326.45	-1.49	-60.63
O=C(CN1C(=O)[N-]NC1=O)N1CC2CC1CN(C(=O)C1=NSNC1=O)C2	REAL300034220833	0	40	-1.0	-59.46	344.67	-0.04	-59.50
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC(Cl)=CC=C1[O-])C2	REAL300034222018	1	40	-1.0	-60.73	350.22	4.87	-55.86
N#CC1=CC([O-])=CC(C(=O)N2CC3CC2CN(C(=O)C2=NSNC2=O)C3)=C1	REAL300034222041	1	41	-1.0	-55.77	353.75	3.92	-51.85
CCC1=NC=C(C(=O)N2CC3CC2CN(C(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300034222112	1	44	-1.0	-65.73	369.94	2.54	-63.19
O=C(C1=COC(=O)[N-]1)N1CC2CC1CN(C(=O)C1=NSNC1=O)C2	REAL300034222128	1	36	-1.0	-60.96	310.34	0.31	-60.65
O=C(C[N-]C(=O)C(F)(F)F)N1CC2CC1CN(C(=O)C1=NSNC1=O)C2	REAL300034222197	0	39	-1.0	-67.80	348.97	0.25	-67.55
NC1=NC([O-])=C(CC(=O)N2CC3CC2CN(C(=O)C2=NSNC2=O)C3)S1	REAL300034222198	0	41	-1.0	-69.67	360.32	-0.58	-70.25
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC=C([O-])C=C1F)C2	REAL300034222218	1	40	-1.0	-56.83	339.24	3.65	-53.18
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC([O-])=CC(=O)O1)C2	REAL300034222224	0	39	-1.0	-60.83	335.67	3.02	-57.81
N#CC1=CC=C(C(=O)N2CC3CC2CN(C(=O)C2=NSNC2=O)C3)C=C1[O-]	REAL300034222230	1	41	-1.0	-61.71	349.69	3.95	-57.76
O=C(C1=CC(Cl)=NC=C1[O-])N1CC2CC1CN(C(=O)C1=NSNC1=O)C2	REAL300034222233	0	39	-1.0	-57.26	345.56	2.82	-54.44
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2CC1CN(C(=O)C1=NSNC1=O)C2	REAL300034222247	0	41	-1.0	-60.07	354.89	-1.10	-61.17
CC1=CC=C([O-])C(C(=O)N2CC3CC2CN(C(=O)C2=NSNC2=O)C3)=N1	REAL300034222304	1	42	-1.0	-65.18	348.44	4.84	-60.34
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=C[N-]N=CC1=O)C2	REAL300034222321	0	38	-1.0	-57.10	328.91	2.22	-54.88
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC=CC(F)=C1[O-])C2	REAL300034222328	0	40	-1.0	-63.76	340.46	4.25	-59.51
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC=CC([O-])=C1F)C2	REAL300034222413	1	40	-1.0	-62.53	340.74	3.69	-58.84
O=C(C1=CC(=O)N[N-]1)N1CC2CC1CN(C(=O)C1=NSNC1=O)C2	REAL300034222502	0	37	-1.0	-59.15	315.42	0.62	-58.53
C[PH](C)([O-])C(=O)C(=O)N1CC2CC1CN(C(=O)C1=NSNC1=O)C2	REAL300034222507	0	42	-1.0	-54.47	353.87	1.69	-52.78
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300034222589	0	40	-1.0	-74.90	345.95	4.43	-70.47
O=C(C1=NNC(=O)[N-]1)N1CC2CC1CN(C(=O)C1=NSNC1=O)C2	REAL300034222614	0	36	-1.0	-60.54	309.86	-0.92	-61.46
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300034222619	0	40	-1.0	-83.95	345.13	4.32	-79.63
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC(F)=CC=C1O)C2	REAL300034222761	0	40	-1.0	-60.86	339.91	4.42	-56.44
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC(F)=CC=C1[O-])C2	REAL300034222761	1	40	-1.0	-60.86	339.91	4.42	-56.44
CC1=CC=NC(C(=O)N2CC3CC2CN(C(=O)C2=NSNC2=O)C3)=C1O	REAL300034222821	0	42	-1.0	-63.74	347.17	4.95	-58.79
CC1=CC=NC(C(=O)N2CC3CC2CN(C(=O)C2=NSNC2=O)C3)=C1[O-]	REAL300034222821	1	42	-1.0	-63.74	347.17	4.95	-58.79
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CN=CC(O)=C1)C2	REAL300034222923	0	39	-1.0	-60.97	324.43	1.66	-59.31
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CN=CC([O-])=C1)C2	REAL300034222923	1	39	-1.0	-60.97	324.43	1.66	-59.31
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC=CC(=S)N1[O-])C2	REAL300034222933	0	40	-1.0	-72.68	355.85	4.79	-67.89
O=C(C1=CC=C([O-])C(Cl)=N1)N1CC2CC1CN(C(=O)C1=NSNC1=O)C2	REAL300034223035	0	39	-1.0	-61.03	345.58	3.03	-58.00
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC=C([O-])C=C1Cl)C2	REAL300034223076	1	40	-1.0	-56.43	347.90	4.08	-52.35
O=C(CC1=NC([O-])=CS1)N1CC2CC1CN(C(=O)C1=NSNC1=O)C2	REAL300034223083	0	39	-1.0	-67.76	345.38	0.37	-67.39
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2CC1CN(C(=O)C1=NSNC1=O)C2	REAL300034223097	0	42	-1.0	-57.92	360.33	1.00	-56.92
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC=C(F)C=C1[O-])C2	REAL300034223098	0	40	-1.0	-59.36	339.00	4.59	-54.77
O=C(CC1SC(=O)[N-]C1=O)N1CC2CC1CN(C(=O)C1=NSNC1=O)C2	REAL300034223184	0	40	-1.0	-54.30	352.44	-0.35	-54.65
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC=C([O-])C(F)=C1F)C2	REAL300034223204	0	40	-1.0	-65.55	347.20	3.69	-61.86
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC=CC(Cl)=C1[O-])C2	REAL300034223211	0	40	-1.0	-59.45	350.29	4.69	-54.76
CC1=CC(=O)C(C(=O)N2CC3CC2CN(C(=O)C2=NSNC2=O)C3)=N[N-]1	REAL300034223235	0	41	-1.0	-58.72	343.65	4.37	-54.35
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300034223254	0	40	-1.0	-71.60	344.74	4.15	-67.45
N#CC1=CC=C(C(=O)N2CC3CC2CN(C(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300034223276	0	40	-1.0	-61.85	354.83	2.03	-59.82
CN1N=C(C(=O)N2CC3CC2CN(C(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300034223320	0	39	-1.0	-65.19	332.96	0.79	-64.40
N#CC1=CC=C([O-])C(C(=O)N2CC3CC2CN(C(=O)C2=NSNC2=O)C3)=C1	REAL300034223370	0	41	-1.0	-68.86	353.50	4.87	-63.99
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CN([O-])C(=O)NC1=O)C2	REAL300034223454	0	40	-1.0	-59.92	350.25	1.74	-58.18
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC=C(F)C(O)=C1)C2	REAL300034223499	0	40	-1.0	-65.18	335.76	3.56	-61.62
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC=C(F)C([O-])=C1)C2	REAL300034223499	1	40	-1.0	-65.18	335.76	3.56	-61.62
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC=C(Cl)C=C1O)C2	REAL300034223515	0	40	-1.0	-59.36	349.31	5.05	-54.31
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC=C(Cl)C=C1[O-])C2	REAL300034223515	1	40	-1.0	-59.36	349.31	5.05	-54.31
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300034223573	0	38	-1.0	-64.50	328.25	-1.89	-66.39
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300034223573	1	38	-1.0	-56.65	329.03	-1.15	-57.80
NC1=NC=C(C(=O)N2CC3CC2CN(C(=O)C2=NSNC2=O)C3)C(=O)[N-]1	REAL300034223622	1	40	-1.0	-66.00	343.29	0.88	-65.12
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC=C(F)C([O-])=C1F)C2	REAL300034223654	0	40	-1.0	-72.95	347.16	3.68	-69.27
COC1=NC(C(=O)N2CC3CC2CN(C(=O)C2=NSNC2=O)C3)=CC(=O)[N-]1	REAL300034223697	0	42	-1.0	-62.92	354.24	-0.90	-63.82
O=C(C1=NC=CC(Cl)=C1[O-])N1CC2CC1CN(C(=O)C1=NSNC1=O)C2	REAL300034223703	0	39	-1.0	-60.12	343.03	4.78	-55.34
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC=C(Cl)C([O-])=C1)C2	REAL300034223734	0	40	-1.0	-62.32	345.57	4.05	-58.27
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC=NC=C1[O-])C2	REAL300034223742	0	39	-1.0	-59.85	327.37	2.69	-57.16
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=NSNC1=O)C2	REAL300034223747	0	36	-1.0	-62.61	310.28	0.78	-61.83
CC1=C([O-])N=C(C(=O)N2CC3CC2CN(C(=O)C2=NSNC2=O)C3)S1	REAL300034223766	1	39	-1.0	-69.43	342.60	1.13	-68.30
O=C(C(=O)N1CC2CC1CN(C(=O)C1=NSNC1=O)C2)C1=CC=C([O-])C=C1	REAL300034223851	1	42	-1.0	-67.77	352.89	3.71	-64.06
O=C(C1=CN=C(C=N[O-])S1)N1CC2CC1CN(C(=O)C1=NSNC1=O)C2	REAL300034223869	0	39	-1.0	-70.42	348.28	1.73	-68.69
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2	REAL300034223889	1	39	-1.0	-64.41	345.26	4.04	-60.37
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300034223909	0	40	-1.0	-56.32	345.96	-0.56	-56.88
CCN1[N-]C(C(=O)N2CC3CC2CN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300034223966	0	43	-1.0	-60.64	359.74	3.22	-57.42
CN1[N-]C(C(=O)N2CC3CC2CN(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300034223982	0	40	-1.0	-59.92	337.93	2.29	-57.63
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CN(C(=O)C1=NSNC1=O)C2	REAL300034223991	0	40	-1.0	-58.14	355.41	0.28	-57.86
O=C(CC1=CC(=O)N[N-]1)N1CC2CC1CN(C(=O)C1=NSNC1=O)C2	REAL300034224101	1	40	-1.0	-59.83	339.54	1.09	-58.74
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC=C([O-])C(F)=C1)C2	REAL300034224106	1	40	-1.0	-62.72	335.72	3.60	-59.12
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CC(F)=C([O-])C(F)=C1)C2	REAL300034224143	0	40	-1.0	-60.46	345.30	3.71	-56.75
O=C(C1=CC=NC(Cl)=C1[O-])N1CC2CC1CN(C(=O)C1=NSNC1=O)C2	REAL300034224147	0	39	-1.0	-58.92	344.87	2.87	-56.05
CC1=C(CC(=O)N2CC3CC2CN(C(=O)C2=NSNC2=O)C3)C(=O)N(C)[N-]1	REAL300034224161	0	46	-1.0	-64.43	382.48	3.44	-60.99
CC1=CN=C(C(=O)N2CC3CC2CN(C(=O)C2=NSNC2=O)C3)C([O-])=C1	REAL300034224196	1	42	-1.0	-67.90	348.54	4.93	-62.97
O=C(C1=CC([O-])=CS1)N1CC2CC1CN(C(=O)C1=NSNC1=O)C2	REAL300034224217	0	37	-1.0	-79.71	322.24	2.51	-77.20
O=C(C1=NSNC1=O)N1CC2CC(C1)N(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300034224230	0	40	-1.0	-66.20	345.55	4.35	-61.85
CN1[N-]C(C(=O)N2CC3CC(C2)N(C(=O)C2=NSNC2=O)C3)=CC1=O	REAL300034224392	0	40	-1.0	-59.80	337.92	2.39	-57.41
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2	REAL300034224399	0	40	-1.0	-62.35	355.34	0.23	-62.12
O=C(C1=NSNC1=O)N1CC2CC1CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300034224561	0	38	-1.0	-53.52	328.44	-1.72	-55.24
O=C(C1=NSNC1=O)N1CC2CC1CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300034224561	1	38	-1.0	-58.63	329.00	-0.98	-59.61
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2CC(C1)N(C(=O)C1=NSNC1=O)C2	REAL300034224712	0	42	-1.0	-61.44	359.97	0.97	-60.47
O=C(C1=NSNC1=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300034224720	0	36	-1.0	-68.52	310.12	0.77	-67.75
O=C(C1=NSNC1=O)N1CC2CC1CN(C(=O)C1=CN([O-])C(=O)NC1=O)C2	REAL300034224733	0	40	-1.0	-63.97	350.05	1.62	-62.35
O=C(NC1(C2(O)CCN(C(=O)C3=NSNC3=O)CC2)CC1)C1=COC(=O)[N-]1	REAL300034225075	1	43	-1.0	-51.07	354.65	-3.51	-54.58
O=C(NC1(C2(O)CCN(C(=O)C3=NSNC3=O)CC2)CC1)C1=CC(=O)N[N-]1	REAL300034225143	0	44	-1.0	-53.51	360.18	-2.59	-56.10
O=C(NC1(C2(O)CCN(C(=O)C3=NSNC3=O)CC2)CC1)C1=NC(=O)N[N-]1	REAL300034225198	0	43	-1.0	-50.91	354.08	-3.82	-54.73
O=C(NC1(C2(O)CCN(C(=O)C3=COC(=O)[N-]3)CC2)CC1)C1=NSNC1=O	REAL300034225534	1	43	-1.0	-48.36	354.61	-2.53	-50.89
O=C(NC1(C2(O)CCN(C(=O)C3=CC(=O)N[N-]3)CC2)CC1)C1=NSNC1=O	REAL300034225587	0	44	-1.0	-49.02	359.28	-2.65	-51.67
O=C(NC1(C2(O)CCN(C(=O)C3=NNC(=O)[N-]3)CC2)CC1)C1=NSNC1=O	REAL300034225597	0	43	-1.0	-55.69	351.83	-4.43	-60.12
O=C(NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=NSNC1=O	REAL300034225743	0	43	-1.0	-55.55	352.07	-2.86	-58.41
O=C(NC1(C2(O)CCN(C(=O)C3=NSNC3=O)CC2)CC1)C1=CC(=O)[N-]O1	REAL300034225890	0	43	-1.0	-57.61	354.94	-2.10	-59.71
O=C(NCC1CC(F)(F)CN1C(=O)C1=NSNC1=O)C1=COC(=O)[N-]1	REAL300034226706	1	35	-1.0	-54.24	329.78	-2.53	-56.77
O=C(CC1=CC(=O)N[N-]1)NCC1CC(F)(F)CN1C(=O)C1=NSNC1=O	REAL300034226790	1	39	-1.0	-66.82	355.00	-0.91	-67.73
CN1N=C(C(=O)NCC2CC(F)(F)CN2C(=O)C2=NSNC2=O)[N-]C1=O	REAL300034226801	0	38	-1.0	-62.25	351.66	-1.34	-63.59
O=C(NCC1CC(F)(F)CN1C(=O)C1=NSNC1=O)C1=C[N-]N=CC1=O	REAL300034226836	0	37	-1.0	-55.47	330.46	2.03	-53.44
O=C(NCC1CC(F)(F)CN1C(=O)C1=NSNC1=O)C1=CC(=O)N[N-]1	REAL300034226875	0	36	-1.0	-55.70	334.34	-1.54	-57.24
C[PH](C)([O-])C(=O)C(=O)NCC1CC(F)(F)CN1C(=O)C1=NSNC1=O	REAL300034226879	0	41	-1.0	-56.46	372.93	-0.24	-56.70
O=C(NCC1CC(F)(F)CN1C(=O)C1=NSNC1=O)C1=NC(=O)N[N-]1	REAL300034227083	0	35	-1.0	-53.93	329.20	-2.83	-56.76
O=C(NCC1CC(F)(F)CN1C(=O)C1=NC=CC=C1[O-])C1=NSNC1=O	REAL300034227386	1	38	-1.0	-69.89	346.21	2.11	-67.78
O=C(NCC1CC(F)(F)CN1C(=O)C1=COC(=O)[N-]1)C1=NSNC1=O	REAL300034227885	1	35	-1.0	-55.92	329.46	-1.75	-57.67
CC1=CC=C([O-])C(C(=O)N2CC(F)(F)CC2CNC(=O)C2=NSNC2=O)=N1	REAL300034227960	1	41	-1.0	-70.65	367.81	2.69	-67.96
O=C(NCC1CC(F)(F)CN1C(=O)C1=C[N-]N=CC1=O)C1=NSNC1=O	REAL300034227967	0	37	-1.0	-45.81	335.89	0.85	-44.96
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)N[N-]1)C1=NSNC1=O	REAL300034228039	0	36	-1.0	-56.99	334.32	-1.56	-58.55
C[PH](C)([O-])C(=O)C(=O)N1CC(F)(F)CC1CNC(=O)C1=NSNC1=O	REAL300034228042	0	41	-1.0	-55.73	373.41	-0.40	-56.13
O=C(NCC1CC(F)(F)CN1C(=O)C1=NC(=O)N[N-]1)C1=NSNC1=O	REAL300034228073	0	35	-1.0	-56.15	329.08	-2.33	-58.48
CC1=CC=NC(C(=O)N2CC(F)(F)CC2CNC(=O)C2=NSNC2=O)=C1[O-]	REAL300034228165	1	41	-1.0	-69.52	366.55	2.78	-66.74
O=C(NCC1CC(F)(F)CN1C(=O)C1=CN=CC([O-])=C1)C1=NSNC1=O	REAL300034228198	1	38	-1.0	-55.82	340.30	0.17	-55.65
CN1N=C(C(=O)N2CC(F)(F)CC2CNC(=O)C2=NSNC2=O)[N-]C1=O	REAL300034228315	0	38	-1.0	-63.94	351.83	-1.39	-65.33
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC=NC=C1[O-])C1=NSNC1=O	REAL300034228459	0	38	-1.0	-55.47	338.19	1.80	-53.67
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1=NSNC1=O	REAL300034228463	0	35	-1.0	-60.93	329.31	-1.39	-62.32
CN1[N-]C(C(=O)N2CC(F)(F)CC2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300034228558	0	39	-1.0	-58.62	357.32	0.15	-58.47
O=C(CC1=CC(=O)N[N-]1)N1CC(F)(F)CC1CNC(=O)C1=NSNC1=O	REAL300034228601	1	39	-1.0	-66.80	357.84	-1.10	-67.90
CC1=CN=C(C(=O)N2CC(F)(F)CC2CNC(=O)C2=NSNC2=O)C([O-])=C1	REAL300034228634	1	41	-1.0	-71.28	367.67	2.73	-68.55
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC([O-])=CS1)C1=NSNC1=O	REAL300034228643	0	36	-1.0	-60.55	336.57	1.09	-59.46
CN1[N-]C(C(=O)NCC2CC(F)(F)CN2C(=O)C2=NSNC2=O)=CC1=O	REAL300034228711	0	39	-1.0	-58.47	357.15	0.16	-58.31
O=C([N-]CC1CC(F)(F)CN1C(=O)C1=NSNC1=O)C(F)(F)C(F)F	REAL300034228744	1	34	-1.0	-52.58	323.68	2.35	-50.23
O=C(NCC1CC(F)(F)CN1C(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300034228838	0	35	-1.0	-59.39	329.08	-1.06	-60.45
NC(=O)C1(CNC(=O)C2=NNC(=O)[N-]C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300034229569	0	38	-1.0	-65.35	355.97	-8.16	-73.51
NC(=O)C1(CNC(=O)CN2C(=O)[N-]NC2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300034229617	0	40	-1.0	-62.62	369.13	-6.37	-68.99
NC(=O)C1(CNC(=O)C2=CN([O-])C(=O)C=C2)CN(C(=O)C2=NSNC2=O)C1	REAL300034229957	0	40	-1.0	-77.74	366.59	-2.03	-79.77
NC(=O)C1(CNC(=O)C2=CC(=O)NC([O-])=C2)CN(C(=O)C2=NSNC2=O)C1	REAL300034230032	0	40	-1.0	-54.73	367.96	-6.91	-61.64
NC(=O)C1(CNC(=O)C2=COC(=O)[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300034230043	1	36	-1.0	-65.93	339.13	-7.08	-73.01
CCN1[N-]C(C(=O)NCC2(C(N)=O)CN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034230148	0	43	-1.0	-65.21	388.51	-3.45	-68.66
NC(=O)C1(CNC(=O)CC2=CC(=O)N[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300034230155	1	40	-1.0	-67.13	366.02	-5.42	-72.55
CN1N=C(C(=O)NCC2(C(N)=O)CN(C(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300034230174	0	39	-1.0	-67.91	361.21	-5.89	-73.80
NC(=O)C1(CNC(=O)C2=C[N-]N=CC2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300034230226	0	38	-1.0	-47.89	349.08	-3.89	-51.78
NC(=O)C1(CNC(=O)C2=CC(=O)N[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300034230284	0	37	-1.0	-62.51	343.96	-6.09	-68.60
C[PH](C)([O-])C(=O)C(=O)NCC1(C(N)=O)CN(C(=O)C2=NSNC2=O)C1	REAL300034230289	0	42	-1.0	-52.50	383.70	-4.63	-57.13
NC(=O)C1(CNC(=O)CCC2=NC(=O)NN2)CN(C(=O)C2=NSNC2=O)C1	REAL300034230307	0	42	-1.0	-71.57	379.39	-6.29	-77.86
NC(=O)C1(CNC(=O)CCC2=NC(=O)[N-]N2)CN(C(=O)C2=NSNC2=O)C1	REAL300034230307	1	42	-1.0	-71.57	379.39	-6.29	-77.86
NC(=O)C1(CNC(=O)C2=CC=CN([O-])C2=O)CN(C(=O)C2=NSNC2=O)C1	REAL300034230309	0	40	-1.0	-79.41	365.38	-0.92	-80.33
CC1SC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=NSNC3=O)C2)=NC1=O	REAL300034230328	0	39	-1.0	-63.14	371.41	-5.93	-69.07
CC1=C([O-])N=C(C(=O)NCC2(C(N)=O)CN(C(=O)C3=NSNC3=O)C2)S1	REAL300034230328	1	39	-1.0	-63.14	371.41	-5.93	-69.07
NC(=O)C1(CNC(=O)C2=CC(=O)N([O-])C=C2)CN(C(=O)C2=NSNC2=O)C1	REAL300034230342	0	40	-1.0	-79.13	366.96	-2.04	-81.17
NC(=O)C1(CNC(=O)C2=CC=CC(=O)N2[O-])CN(C(=O)C2=NSNC2=O)C1	REAL300034230363	0	40	-1.0	-85.46	364.45	-1.01	-86.47
NC(=O)C1(CNC(=O)CC2=NC([O-])=CS2)CN(C(=O)C2=NSNC2=O)C1	REAL300034230464	0	39	-1.0	-73.79	372.52	-6.05	-79.84
CC1=CC(=O)C(C(=O)NCC2(C(N)=O)CN(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300034230602	0	41	-1.0	-56.07	373.58	-2.27	-58.34
NC(=O)C1(CNC(=O)C2=NC(=O)N[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300034230612	0	36	-1.0	-62.32	338.67	-7.23	-69.55
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NC=CC=C2O)C1	REAL300034230946	0	39	-1.0	-70.39	356.67	-2.50	-72.89
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300034230946	1	39	-1.0	-70.39	356.67	-2.50	-72.89
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300034231035	0	38	-1.0	-64.83	355.38	-8.17	-73.00
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300034231121	0	40	-1.0	-66.44	372.08	-6.44	-72.88
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300034231905	1	36	-1.0	-56.25	339.72	-6.71	-62.96
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300034231967	1	40	-1.0	-62.17	366.79	-2.94	-65.11
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300034231970	0	39	-1.0	-59.75	365.02	-3.55	-63.30
CC1=CC=C([O-])C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)(C(N)=O)C2)=N1	REAL300034232017	1	42	-1.0	-74.21	377.82	-1.95	-76.16
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300034232018	1	42	-1.0	-66.83	383.71	-6.44	-73.27
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300034232027	0	38	-1.0	-60.00	347.14	-3.31	-63.31
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300034232034	0	40	-1.0	-76.02	366.36	-1.41	-77.43
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300034232089	1	40	-1.0	-73.96	366.66	-2.94	-76.90
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300034232153	0	37	-1.0	-58.71	344.57	-6.13	-64.84
C[PH](C)([O-])C(=O)C(=O)N1CC(CNC(=O)C2=NSNC2=O)(C(N)=O)C1	REAL300034232158	0	42	-1.0	-58.58	377.52	-4.96	-63.54
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300034232203	0	40	-1.0	-74.66	366.01	-2.53	-77.19
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300034232217	0	36	-1.0	-59.37	339.73	-7.10	-66.47
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300034232221	0	40	-1.0	-76.98	373.91	-2.24	-79.22
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300034232317	0	40	-1.0	-67.13	366.54	-1.41	-68.54
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300034232317	1	40	-1.0	-67.13	366.54	-1.41	-68.54
CC1=CC=NC(C(=O)N2CC(CNC(=O)C3=NSNC3=O)(C(N)=O)C2)=C1O	REAL300034232358	0	42	-1.0	-72.92	376.54	-1.85	-74.77
CC1=CC=NC(C(=O)N2CC(CNC(=O)C3=NSNC3=O)(C(N)=O)C2)=C1[O-]	REAL300034232358	1	42	-1.0	-72.92	376.54	-1.85	-74.77
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=CC(O)=C2)C1	REAL300034232413	0	39	-1.0	-64.53	355.10	-4.90	-69.43
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300034232413	1	39	-1.0	-64.53	355.10	-4.90	-69.43
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300034232491	0	39	-1.0	-81.13	373.28	-6.24	-87.37
CC1=CC(=O)C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)(C(N)=O)C2)=N[N-]1	REAL300034232586	0	41	-1.0	-62.56	372.54	-2.32	-64.88
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300034232601	0	40	-1.0	-89.24	363.21	-1.47	-90.71
CN1N=C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)(C(N)=O)C2)[N-]C1=O	REAL300034232643	0	39	-1.0	-65.67	362.39	-5.88	-71.55
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300034232756	0	40	-1.0	-70.49	366.25	-3.02	-73.51
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300034232756	1	40	-1.0	-70.49	366.25	-3.02	-73.51
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300034232801	0	38	-1.0	-61.79	357.81	-8.82	-70.61
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300034232801	1	38	-1.0	-52.66	358.90	-8.04	-60.70
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300034232835	1	40	-1.0	-63.59	372.06	-5.69	-69.28
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300034232910	0	39	-1.0	-69.73	353.20	-3.22	-72.95
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300034232915	0	36	-1.0	-63.26	340.01	-5.77	-69.03
CC1=C([O-])N=C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)(C(N)=O)C2)S1	REAL300034232930	1	39	-1.0	-65.43	371.64	-5.69	-71.12
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300034233021	0	40	-1.0	-57.64	365.04	-7.35	-64.99
CCN1[N-]C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)(C(N)=O)C2)=CC1=O	REAL300034233059	0	43	-1.0	-62.65	389.55	-3.46	-66.11
CN1[N-]C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)(C(N)=O)C2)=CC1=O	REAL300034233075	0	40	-1.0	-61.88	367.82	-4.39	-66.27
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300034233151	1	40	-1.0	-69.39	367.43	-5.53	-74.92
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300034233155	1	40	-1.0	-63.82	366.21	-2.99	-66.81
CC1=CN=C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)(C(N)=O)C2)C([O-])=C1	REAL300034233210	1	42	-1.0	-73.28	377.33	-1.77	-75.05
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300034233222	0	37	-1.0	-68.57	352.80	-3.98	-72.55
NC(=O)C1(CNC(=O)C2=NSNC2=O)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300034233233	0	40	-1.0	-77.42	364.57	-2.53	-79.95
CN1[N-]C(C(=O)NCC2(C(N)=O)CN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034233324	0	40	-1.0	-64.65	366.78	-4.38	-69.03
NC(=O)C1(CNC(=O)C2=NC(=O)[N-]C(=O)N2)CN(C(=O)C2=NSNC2=O)C1	REAL300034233408	0	38	-1.0	-61.47	359.12	-8.34	-69.81
NC(=O)C1(CNC(=O)C2=NC(=O)NC(=O)[N-]2)CN(C(=O)C2=NSNC2=O)C1	REAL300034233408	1	38	-1.0	-61.47	359.12	-8.34	-69.81
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NSNC2=O)C1	REAL300034233507	0	36	-1.0	-68.43	338.70	-5.60	-74.03
O=C(NC1CCC2CN(C(=O)C3=NSNC3=O)CC21)C1=NNC(=O)[N-]C1=O	REAL300034234314	0	41	-1.0	-61.50	354.81	-2.79	-64.29
O=C(CN1C(=O)[N-]NC1=O)NC1CCC2CN(C(=O)C3=NSNC3=O)CC21	REAL300034234365	0	43	-1.0	-60.45	365.86	-0.98	-61.43
O=C(NC1CCC2CN(C(=O)C3=NSNC3=O)CC21)C1=CN([O-])C(=O)C=C1	REAL300034234745	0	43	-1.0	-74.57	365.86	3.36	-71.21
O=C(NC1CCC2CN(C(=O)C3=NSNC3=O)CC21)C1=CC(=O)NC([O-])=C1	REAL300034234824	0	43	-1.0	-55.89	366.33	-1.55	-57.44
O=C(NC1CCC2CN(C(=O)C3=NSNC3=O)CC21)C1=COC(=O)[N-]1	REAL300034234835	1	39	-1.0	-56.46	338.43	-1.70	-58.16
CCN1[N-]C(C(=O)NC2CCC3CN(C(=O)C4=NSNC4=O)CC32)=CC1=O	REAL300034234952	0	46	-1.0	-61.12	384.73	2.07	-59.05
O=C(CC1=CC(=O)N[N-]1)NC1CCC2CN(C(=O)C3=NSNC3=O)CC21	REAL300034234959	1	43	-1.0	-65.80	363.89	-0.08	-65.88
CN1N=C(C(=O)NC2CCC3CN(C(=O)C4=NSNC4=O)CC32)[N-]C1=O	REAL300034234982	0	42	-1.0	-63.52	357.52	-0.37	-63.89
O=C(NC1CCC2CN(C(=O)C3=NSNC3=O)CC21)C1=C[N-]N=CC1=O	REAL300034235039	0	41	-1.0	-54.50	344.42	1.58	-52.92
O=C(NC1CCC2CN(C(=O)C3=NSNC3=O)CC21)C1=CC(=O)N[N-]1	REAL300034235104	0	40	-1.0	-58.14	340.19	-0.56	-58.70
C[PH](C)([O-])C(=O)C(=O)NC1CCC2CN(C(=O)C3=NSNC3=O)CC21	REAL300034235109	0	45	-1.0	-56.85	378.67	0.76	-56.09
O=C(NC1CCC2CN(C(=O)C3=NSNC3=O)CC21)C1=CC=CN([O-])C1=O	REAL300034235133	0	43	-1.0	-77.12	360.50	3.68	-73.44
CC1SC(C(=O)NC2CCC3CN(C(=O)C4=NSNC4=O)CC32)=NC1=O	REAL300034235154	0	42	-1.0	-62.49	370.02	-0.60	-63.09
CC1=C([O-])N=C(C(=O)NC2CCC3CN(C(=O)C4=NSNC4=O)CC32)S1	REAL300034235154	1	42	-1.0	-62.49	370.02	-0.60	-63.09
O=C(NC1CCC2CN(C(=O)C3=NSNC3=O)CC21)C1=CC(=O)N([O-])C=C1	REAL300034235170	0	43	-1.0	-74.97	366.23	3.35	-71.62
O=C(NC1CCC2CN(C(=O)C3=NSNC3=O)CC21)C1=CC=CC(=O)N1[O-]	REAL300034235195	0	43	-1.0	-82.79	360.27	4.49	-78.30
O=C(CC1=NC([O-])=CS1)NC1CCC2CN(C(=O)C3=NSNC3=O)CC21	REAL300034235309	0	42	-1.0	-75.35	369.74	-0.80	-76.15
CC1=CC(=O)C(C(=O)NC2CCC3CN(C(=O)C4=NSNC4=O)CC32)=N[N-]1	REAL300034235463	0	44	-1.0	-61.18	368.91	3.22	-57.96
O=C(NC1CCC2CN(C(=O)C3=NSNC3=O)CC21)C1=NC(=O)N[N-]1	REAL300034235473	0	39	-1.0	-56.29	337.84	-2.02	-58.31
O=C(NC1CCC2CN(C(=O)C3=NC=CC=C3O)CC21)C1=NSNC1=O	REAL300034235815	0	42	-1.0	-66.37	355.90	2.98	-63.39
O=C(NC1CCC2CN(C(=O)C3=NC=CC=C3[O-])CC21)C1=NSNC1=O	REAL300034235815	1	42	-1.0	-66.37	355.90	2.98	-63.39
O=C(NC1CCC2CN(C(=O)C3=NNC(=O)[N-]C3=O)CC21)C1=NSNC1=O	REAL300034235913	0	41	-1.0	-59.67	354.71	-2.85	-62.52
O=C(CN1C(=O)[N-]NC1=O)N1CC2CCC(NC(=O)C3=NSNC3=O)C2C1	REAL300034236005	0	43	-1.0	-62.69	369.17	-0.50	-63.19
N#CC1=CC([O-])=CC(C(=O)N2CC3CCC(NC(=O)C4=NSNC4=O)C3C2)=C1	REAL300034236815	1	44	-1.0	-50.67	382.30	2.53	-48.14
O=C(NC1CCC2CN(C(=O)C3=COC(=O)[N-]3)CC21)C1=NSNC1=O	REAL300034236882	1	39	-1.0	-52.47	338.94	-0.82	-53.29
O=C(NC1CCC2CN(C(=O)C3=CC=C([O-])C=C3F)CC21)C1=NSNC1=O	REAL300034236951	1	43	-1.0	-57.38	366.93	2.20	-55.18
O=C(NC1CCC2CN(C(=O)C3=CC([O-])=CC(=O)O3)CC21)C1=NSNC1=O	REAL300034236955	0	42	-1.0	-54.33	363.45	1.63	-52.70
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CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)CN1C(=O)[N-]NC1=O	REAL300034246285	0	42	-1.0	-77.00	361.58	-0.22	-77.22
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CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=COC(=O)[N-]1	REAL300034247001	1	38	-1.0	-60.77	326.31	0.58	-60.19
CCN1[N-]C(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300034247171	0	45	-1.0	-69.79	375.73	3.15	-66.64
CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)CC1=CC(=O)N[N-]1	REAL300034247179	1	42	-1.0	-78.89	358.02	0.95	-77.94
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CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)CC1SC(=O)[N-]C1=O	REAL300034247206	0	42	-1.0	-64.86	371.03	-0.55	-65.41
CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=NN(C)C(=O)[N-]1	REAL300034247222	0	41	-1.0	-57.33	349.72	0.80	-56.53
CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=C[N-]N=CC1=O	REAL300034247311	0	40	-1.0	-66.46	343.70	1.90	-64.56
CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N[N-]1	REAL300034247410	0	39	-1.0	-65.73	331.18	0.50	-65.23
CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C(=O)[PH](C)(C)[O-]	REAL300034247415	0	44	-1.0	-49.90	366.78	1.76	-48.14
CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)CCC1=NC(=O)NN1	REAL300034247442	0	44	-1.0	-62.26	369.72	0.04	-62.22
CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)CCC1=NC(=O)[N-]N1	REAL300034247442	1	44	-1.0	-62.26	369.72	0.04	-62.22
CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CN([O-])C1=O	REAL300034247446	0	42	-1.0	-91.60	359.98	4.05	-87.55
CC1SC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=NSNC2=O)=NC1=O	REAL300034247474	0	41	-1.0	-58.64	358.87	1.38	-57.26
CC1=C([O-])N=C(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=NSNC2=O)S1	REAL300034247474	1	41	-1.0	-58.64	358.87	1.38	-57.26
CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)C=C(Cl)N1	REAL300034247488	0	41	-1.0	-62.25	363.15	4.09	-58.16
CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300034247488	1	41	-1.0	-62.25	363.15	4.09	-58.16
CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N([O-])C=C1	REAL300034247505	0	42	-1.0	-66.47	362.18	4.27	-62.20
CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC=CC(=O)N1[O-]	REAL300034247538	0	42	-1.0	-78.63	352.29	4.80	-73.83
CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)CC1=C([O-])N=C(N)S1	REAL300034247661	0	43	-1.0	-88.25	376.93	-0.72	-88.97
CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)CC1=NC([O-])=CS1	REAL300034247706	0	41	-1.0	-89.97	362.40	0.15	-89.82
CCC1=NC=C(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=NSNC2=O)C(=O)N1	REAL300034247724	0	46	-1.0	-55.87	383.32	3.05	-52.82
CCC1=NC=C(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300034247724	1	46	-1.0	-55.87	383.32	3.05	-52.82
CC1=CC(=O)C(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=NSNC2=O)=N[N-]1	REAL300034247935	0	43	-1.0	-72.35	361.98	4.26	-68.09
CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=NNC(=O)[N-]1	REAL300034247950	0	38	-1.0	-54.31	326.82	-0.87	-55.18
CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CN=C(C=N[O-])S1	REAL300034248061	0	41	-1.0	-65.68	364.79	1.49	-64.19
COC1=NC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=NSNC2=O)=CC(=O)[N-]1	REAL300034248074	0	44	-1.0	-55.54	370.36	-0.71	-56.25
CN(C[C@H]1CCCN1C(=O)C1=NC=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300034248330	1	41	-1.0	-63.04	343.15	4.26	-58.78
CN(C[C@H]1CCCN1C(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300034248443	0	40	-1.0	-73.25	344.29	-1.54	-74.79
CN(C[C@H]1CCCN1C(=O)CN1C(=O)[N-]NC1=O)C(=O)C1=NSNC1=O	REAL300034248581	0	42	-1.0	-56.49	361.28	-0.06	-56.55
CN(C[C@H]1CCCN1C(=O)C1=CC(Cl)=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300034249683	1	42	-1.0	-89.56	347.86	5.50	-84.06
CN(C[C@H]1CCCN1C(=O)C1=CC([O-])=CC(C#N)=C1)C(=O)C1=NSNC1=O	REAL300034249706	1	43	-1.0	-39.96	351.71	3.59	-36.37
CCC1=NC=C(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=NSNC2=O)C(=O)[N-]1	REAL300034249773	1	46	-1.0	-42.43	354.79	2.57	-39.86
CN(C[C@H]1CCCN1C(=O)C1=COC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300034249788	1	38	-1.0	-52.47	327.27	0.38	-52.09
CN(C[C@H]1CCCN1C(=O)C[N-]C(=O)C(F)(F)F)C(=O)C1=NSNC1=O	REAL300034249854	0	41	-1.0	-50.19	364.76	0.25	-49.94
CN(C[C@H]1CCCN1C(=O)CC1=C([O-])N=C(N)S1)C(=O)C1=NSNC1=O	REAL300034249855	0	43	-1.0	-89.06	377.25	-0.66	-89.72
CN(C[C@H]1CCCN1C(=O)C1=CC=C([O-])C=C1F)C(=O)C1=NSNC1=O	REAL300034249874	1	42	-1.0	-52.95	338.86	2.99	-49.96
CN(C[C@H]1CCCN1C(=O)C1=CC([O-])=CC(=O)O1)C(=O)C1=NSNC1=O	REAL300034249880	0	41	-1.0	-51.85	352.30	2.97	-48.88
CN(C[C@H]1CCCN1C(=O)C1=CC=C(C#N)C([O-])=C1)C(=O)C1=NSNC1=O	REAL300034249886	1	43	-1.0	-57.87	354.45	3.31	-54.56
CN(C[C@H]1CCCN1C(=O)C1=CC(Cl)=NC=C1[O-])C(=O)C1=NSNC1=O	REAL300034249889	0	41	-1.0	-85.39	343.29	3.58	-81.81
CN(C[C@H]1CCCN1C(=O)CN1N=CC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300034249901	0	43	-1.0	-80.84	372.12	-1.19	-82.03
CC1=CC=C([O-])C(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=NSNC2=O)=N1	REAL300034249955	1	44	-1.0	-63.82	364.77	4.83	-58.99
CN(C[C@H]1CCCN1C(=O)C1=C[N-]N=CC1=O)C(=O)C1=NSNC1=O	REAL300034249972	0	40	-1.0	-47.01	330.43	2.02	-44.99
CN(C[C@H]1CCCN1C(=O)C1=CC=CC(F)=C1[O-])C(=O)C1=NSNC1=O	REAL300034249979	0	42	-1.0	-71.73	337.37	4.53	-67.20
CN(C[C@H]1CCCN1C(=O)C1=CC=CC([O-])=C1F)C(=O)C1=NSNC1=O	REAL300034250054	1	42	-1.0	-67.08	337.68	2.90	-64.18
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)N[N-]1)C(=O)C1=NSNC1=O	REAL300034250136	0	39	-1.0	-51.21	331.19	0.59	-50.62
CN(C[C@H]1CCCN1C(=O)C(=O)[PH](C)(C)[O-])C(=O)C1=NSNC1=O	REAL300034250141	0	44	-1.0	-50.89	366.76	1.84	-49.05
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)N([O-])C=C1)C(=O)C1=NSNC1=O	REAL300034250215	0	42	-1.0	-64.17	339.20	3.32	-60.85
CN(C[C@H]1CCCN1C(=O)C1=NC(=O)N[N-]1)C(=O)C1=NSNC1=O	REAL300034250239	0	38	-1.0	-51.26	327.03	-0.24	-51.50
CN(C[C@H]1CCCN1C(=O)C1=CC=CN([O-])C1=O)C(=O)C1=NSNC1=O	REAL300034250244	0	42	-1.0	-52.39	333.91	2.93	-49.46
CN(C[C@H]1CCCN1C(=O)C1=CC(F)=CC=C1O)C(=O)C1=NSNC1=O	REAL300034250379	0	42	-1.0	-62.73	337.63	4.66	-58.07
CN(C[C@H]1CCCN1C(=O)C1=CC(F)=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300034250379	1	42	-1.0	-62.73	337.63	4.66	-58.07
CC1=CC=NC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=NSNC2=O)=C1O	REAL300034250437	0	44	-1.0	-62.74	363.47	4.94	-57.80
CC1=CC=NC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=NSNC2=O)=C1[O-]	REAL300034250437	1	44	-1.0	-62.74	363.47	4.94	-57.80
CN(C[C@H]1CCCN1C(=O)C1=CN=CC(O)=C1)C(=O)C1=NSNC1=O	REAL300034250529	0	41	-1.0	-55.29	330.00	1.32	-53.97
CN(C[C@H]1CCCN1C(=O)C1=CN=CC([O-])=C1)C(=O)C1=NSNC1=O	REAL300034250529	1	41	-1.0	-55.29	330.00	1.32	-53.97
CN(C[C@H]1CCCN1C(=O)C1=CC=CC(=S)N1[O-])C(=O)C1=NSNC1=O	REAL300034250539	0	42	-1.0	-86.11	347.89	5.38	-80.73
CN(C[C@H]1CCCN1C(=O)C1=CC=C([O-])C(Cl)=N1)C(=O)C1=NSNC1=O	REAL300034250636	0	41	-1.0	-48.57	361.43	3.11	-45.46
CN(C[C@H]1CCCN1C(=O)C1=CC=C(O)C=C1Cl)C(=O)C1=NSNC1=O	REAL300034250673	0	42	-1.0	-51.23	346.83	3.43	-47.80
CN(C[C@H]1CCCN1C(=O)C1=CC=C([O-])C=C1Cl)C(=O)C1=NSNC1=O	REAL300034250673	1	42	-1.0	-51.23	346.83	3.43	-47.80
CN(C[C@H]1CCCN1C(=O)CC1=NC([O-])=CS1)C(=O)C1=NSNC1=O	REAL300034250680	0	41	-1.0	-89.62	362.28	0.22	-89.40
CN(C[C@H]1CCCN1C(=O)CN1[N-]C(=O)C=CC1=O)C(=O)C1=NSNC1=O	REAL300034250694	0	44	-1.0	-76.77	377.58	0.84	-75.93
CN(C[C@H]1CCCN1C(=O)CC1SC(=O)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300034250770	0	42	-1.0	-66.10	369.34	-0.49	-66.59
CN(C[C@H]1CCCN1C(=O)C1=CC=C([O-])C(F)=C1F)C(=O)C1=NSNC1=O	REAL300034250790	0	42	-1.0	-54.27	343.90	2.99	-51.28
CN(C[C@H]1CCCN1C(=O)C1=CC=CC(Cl)=C1[O-])C(=O)C1=NSNC1=O	REAL300034250796	0	42	-1.0	-66.34	347.18	4.99	-61.35
CC1=CC(=O)C(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=NSNC2=O)=N[N-]1	REAL300034250819	0	43	-1.0	-54.45	359.90	4.33	-50.12
CN(C[C@H]1CCCN1C(=O)C1=CC=CC(=O)N1[O-])C(=O)C1=NSNC1=O	REAL300034250838	0	42	-1.0	-84.03	336.77	4.35	-79.68
CN(C[C@H]1CCCN1C(=O)C1=CC=C(C#N)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300034250859	0	42	-1.0	-41.91	353.14	1.68	-40.23
CN(C[C@H]1CCCN1C(=O)C1=NN(C)C(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300034250900	0	41	-1.0	-57.27	349.77	0.71	-56.56
CN(C[C@H]1CCCN1C(=O)C1=CC=C(C#N)C=C1[O-])C(=O)C1=NSNC1=O	REAL300034250939	0	43	-1.0	-62.04	352.89	4.90	-57.14
CN(C[C@H]1CCCN1C(=O)C1=CC(C#N)=CC=C1[O-])C(=O)C1=NSNC1=O	REAL300034250946	0	43	-1.0	-57.96	349.88	4.87	-53.09
CN(C[C@H]1CCCN1C(=O)C1=CN([O-])C(=O)NC1=O)C(=O)C1=NSNC1=O	REAL300034251020	0	42	-1.0	-53.81	351.53	1.32	-52.49
CN(C[C@H]1CCCN1C(=O)C1=CC=C(F)C([O-])=C1)C(=O)C1=NSNC1=O	REAL300034251063	1	42	-1.0	-45.47	337.56	3.21	-42.26
CN(C[C@H]1CCCN1C(=O)C1=CC=C(Cl)C=C1[O-])C(=O)C1=NSNC1=O	REAL300034251078	1	42	-1.0	-65.10	348.95	5.04	-60.06
CN(C[C@H]1CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)C1=NSNC1=O	REAL300034251134	0	40	-1.0	-60.79	346.41	-1.11	-61.90
CN(C[C@H]1CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300034251134	1	40	-1.0	-60.79	346.41	-1.11	-61.90
CN(C[C@H]1CCCN1C(=O)C1=CN=C(N)NC1=O)C(=O)C1=NSNC1=O	REAL300034251177	0	42	-1.0	-46.97	340.80	0.57	-46.40
CN(C[C@H]1CCCN1C(=O)C1=CN=C(N)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300034251177	1	42	-1.0	-46.97	340.80	0.57	-46.40
CN(C[C@H]1CCCN1C(=O)C1=NC=CC(Cl)=C1[O-])C(=O)C1=NSNC1=O	REAL300034251252	0	41	-1.0	-80.17	360.90	4.78	-75.39
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NSNC1=O	REAL300034251296	0	38	-1.0	-54.99	326.18	0.72	-54.27
CC1SC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=NSNC2=O)=NC1=O	REAL300034251314	0	41	-1.0	-57.66	358.18	1.27	-56.39
CC1=C([O-])N=C(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=NSNC2=O)S1	REAL300034251314	1	41	-1.0	-57.66	358.18	1.27	-56.39
CN(C[C@H]1CCCN1C(=O)C(=O)C1=CC=C(O)C=C1)C(=O)C1=NSNC1=O	REAL300034251397	0	44	-1.0	-53.21	369.53	3.75	-49.46
CN(C[C@H]1CCCN1C(=O)C(=O)C1=CC=C([O-])C=C1)C(=O)C1=NSNC1=O	REAL300034251397	1	44	-1.0	-53.21	369.53	3.75	-49.46
CN(C[C@H]1CCCN1C(=O)C1=CN=C(C=N[O-])S1)C(=O)C1=NSNC1=O	REAL300034251413	0	41	-1.0	-64.48	365.98	1.55	-62.93
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)C=C(Cl)N1)C(=O)C1=NSNC1=O	REAL300034251430	0	41	-1.0	-47.86	361.16	4.13	-43.73
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1)C(=O)C1=NSNC1=O	REAL300034251430	1	41	-1.0	-47.86	361.16	4.13	-43.73
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)NC([O-])=C1)C(=O)C1=NSNC1=O	REAL300034251448	0	42	-1.0	-56.94	342.42	-0.34	-57.28
CCN1[N-]C(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=NSNC2=O)=CC1=O	REAL300034251502	0	45	-1.0	-70.44	377.36	3.22	-67.22
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)N(C)[N-]1)C(=O)C1=NSNC1=O	REAL300034251516	0	42	-1.0	-69.86	354.04	2.22	-67.64
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300034251525	0	42	-1.0	-68.83	373.44	0.22	-68.61
CN(C[C@H]1CCCN1C(=O)CC1=CC(=O)NN1)C(=O)C1=NSNC1=O	REAL300034251627	0	42	-1.0	-58.73	356.27	1.01	-57.72
CN(C[C@H]1CCCN1C(=O)CC1=CC(=O)N[N-]1)C(=O)C1=NSNC1=O	REAL300034251627	1	42	-1.0	-58.73	356.27	1.01	-57.72
CN(C[C@H]1CCCN1C(=O)C1=CC=C(O)C(F)=C1)C(=O)C1=NSNC1=O	REAL300034251632	0	42	-1.0	-52.43	339.36	3.03	-49.40
CN(C[C@H]1CCCN1C(=O)C1=CC=C([O-])C(F)=C1)C(=O)C1=NSNC1=O	REAL300034251632	1	42	-1.0	-52.43	339.36	3.03	-49.40
CN(C[C@H]1CCCN1C(=O)C1=CC(F)=C([O-])C(F)=C1)C(=O)C1=NSNC1=O	REAL300034251668	0	42	-1.0	-63.52	349.77	4.09	-59.43
CN(C[C@H]1CCCN1C(=O)C1=CC=NC(Cl)=C1[O-])C(=O)C1=NSNC1=O	REAL300034251672	0	41	-1.0	-57.75	346.91	3.88	-53.87
CC1=CN=C(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=NSNC2=O)C(O)=C1	REAL300034251721	0	44	-1.0	-64.41	364.58	4.89	-59.52
CC1=CN=C(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=NSNC2=O)C([O-])=C1	REAL300034251721	1	44	-1.0	-64.41	364.58	4.89	-59.52
CN(C[C@H]1CCCN1C(=O)C1=CC([O-])=CS1)C(=O)C1=NSNC1=O	REAL300034251740	0	39	-1.0	-61.36	339.67	2.41	-58.95
CN(C[C@H]1CCCN1C(=O)C1=CN([O-])C(=O)C=C1)C(=O)C1=NSNC1=O	REAL300034251753	0	42	-1.0	-64.74	339.66	3.39	-61.35
CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(C)[N-]1	REAL300034251902	0	42	-1.0	-54.07	354.84	2.30	-51.77
CN(C[C@H]1CCCN1C(=O)C1=NSNC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300034251909	0	42	-1.0	-68.73	372.67	0.12	-68.61
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CCC1=NC=C(C(=O)NCCOC2CN(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300034254845	1	44	-1.0	-54.84	389.03	-0.72	-55.56
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COC1=NC(C(=O)NCCOC2CN(C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300034255181	0	42	-1.0	-61.44	384.62	-5.25	-66.69
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CCC1=NC=C(C(=O)N2CC(OCCNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300034257081	1	44	-1.0	-65.52	388.13	-0.14	-65.66
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C[PH](C)([O-])C(=O)C(=O)N1CC(OCCNC(=O)C2=NSNC2=O)C1	REAL300034257487	0	42	-1.0	-53.47	377.19	-2.19	-55.66
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CC1=CC=NC(C(=O)N2CC(OCCNC(=O)C3=NSNC3=O)C2)=C1O	REAL300034257817	0	42	-1.0	-66.45	376.08	0.99	-65.46
CC1=CC=NC(C(=O)N2CC(OCCNC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300034257817	1	42	-1.0	-66.45	376.08	0.99	-65.46
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CC1=CC=C(F)C([O-])=C1C(=O)N1CC(OCCNC(=O)C2=NSNC2=O)C1	REAL300034258120	0	43	-1.0	-70.00	392.49	0.69	-69.31
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CC1=CC(=O)C(C(=O)N2CC(OCCNC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300034258236	0	41	-1.0	-57.60	372.65	0.42	-57.18
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CN1N=C(C(=O)N2CC(OCCNC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300034258326	0	39	-1.0	-61.45	361.43	-3.08	-64.53
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COC1=NC(C(=O)N2CC(OCCNC(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300034258719	0	42	-1.0	-59.80	383.06	-5.00	-64.80
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CC1=C([O-])N=C(C(=O)N2CC(OCCNC(=O)C3=NSNC3=O)C2)S1	REAL300034258802	1	39	-1.0	-60.77	370.92	-2.90	-63.67
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CN1[N-]C(CC(=O)N2CCC(OCCNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034263008	0	46	-1.0	-67.08	405.89	-0.22	-67.30
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CC1=CC=NC(C(=O)N2CCC(OCCNC(=O)C3=NSNC3=O)C2)=C1[O-]	REAL300034263200	1	45	-1.0	-63.99	391.22	1.94	-62.05
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CC1=CC(=O)C(C(=O)N2CCC(OCCNC(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300034263419	0	44	-1.0	-58.70	387.71	1.35	-57.35
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CN1N=C(C(=O)N2CCC(OCCNC(=O)C3=NSNC3=O)C2)[N-]C1=O	REAL300034263474	0	42	-1.0	-59.37	375.87	-2.22	-61.59
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O=C(NCCOC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=NSNC1=O	REAL300034263625	1	41	-1.0	-48.56	372.64	-4.19	-52.75
NC1=NC=C(C(=O)N2CCC(OCCNC(=O)C3=NSNC3=O)C2)C(=O)N1	REAL300034263659	0	43	-1.0	-60.03	387.22	-2.10	-62.13
NC1=NC=C(C(=O)N2CCC(OCCNC(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300034263659	1	43	-1.0	-60.03	387.22	-2.10	-62.13
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CC1SC(C(=O)N2CCC(OCCNC(=O)C3=NSNC3=O)C2)=NC1=O	REAL300034263750	0	42	-1.0	-57.69	386.16	-1.86	-59.55
CC1=C([O-])N=C(C(=O)N2CCC(OCCNC(=O)C3=NSNC3=O)C2)S1	REAL300034263750	1	42	-1.0	-57.69	386.16	-1.86	-59.55
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CCN1[N-]C(C(=O)N2CCC(OCCNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034263876	0	46	-1.0	-55.65	403.78	0.18	-55.47
CN1[N-]C(C(=O)N2CCC(OCCNC(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034263891	0	43	-1.0	-54.92	381.97	-0.75	-55.67
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CC1=CN=C(C(=O)N2CCC(OCCNC(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300034264024	1	45	-1.0	-65.74	392.33	1.89	-63.85
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CN1[N-]C(C(=O)NCCOC2CCN(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034264134	0	43	-1.0	-60.30	381.92	-0.69	-60.99
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CN1N=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=NSNC2=O)C3)[N-]C1=O	REAL300034266513	0	45	-1.0	-60.26	363.21	0.22	-60.04
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CC1=CN=C(C(=O)N2CCOC(CN(C)C(=O)C3=NSNC3=O)C2)C([O-])=C1	REAL300034281591	1	45	-1.0	-66.72	377.29	3.84	-62.88
CN(CC1CN(C(=O)C2=CC([O-])=CS2)CCO1)C(=O)C1=NSNC1=O	REAL300034281602	0	40	-1.0	-64.11	351.89	1.21	-62.90
CN(CC1CN(C(=O)C2=CN([O-])C(=O)C=C2)CCO1)C(=O)C1=NSNC1=O	REAL300034281613	0	43	-1.0	-68.04	373.88	3.07	-64.97
CN(CC1CN(C(=O)C2=NSNC2=O)CCO1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300034281701	0	43	-1.0	-61.41	366.32	0.94	-60.47
CN(CC1CN(C(=O)C2=NSNC2=O)CCO1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300034281782	0	41	-1.0	-57.88	356.78	-3.16	-61.04
CN(CC1CN(C(=O)C2=NSNC2=O)CCO1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300034281782	1	41	-1.0	-58.77	352.74	-1.94	-60.71
CN(CC1CN(C(=O)C2=NSNC2=O)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300034281873	0	39	-1.0	-61.90	338.28	-0.76	-62.66
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CN1N=C(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=NSNC2=O)[N-]C1=O	REAL300034282694	0	45	-1.0	-64.13	381.78	1.01	-63.12
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O=C(NCC1C(C2CC2)CCN1C(=O)C1=NSNC1=O)C1=NC(=O)N[N-]1	REAL300034282931	0	42	-1.0	-54.46	359.05	-0.48	-54.94
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O=C(NCC1C(C2CC2)CCN1C(=O)C1=COC(=O)[N-]1)C1=NSNC1=O	REAL300034283614	1	42	-1.0	-50.23	360.86	0.71	-49.52
O=C(NCC1C(C2CC2)CCN1C(=O)C1=C[N-]N=CC1=O)C1=NSNC1=O	REAL300034283681	0	44	-1.0	-48.68	375.10	2.16	-46.52
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)N[N-]1)C1=NSNC1=O	REAL300034283730	0	43	-1.0	-54.37	365.71	0.88	-53.49
O=C(NCC1C(C2CC2)CCN1C(=O)C1=NC(=O)N[N-]1)C1=NSNC1=O	REAL300034283757	0	42	-1.0	-52.53	355.71	0.50	-52.03
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CN=CC([O-])=C1)C1=NSNC1=O	REAL300034283852	1	45	-1.0	-56.99	374.91	1.92	-55.07
CN1N=C(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=NSNC2=O)[N-]C1=O	REAL300034283941	0	45	-1.0	-61.43	383.14	1.06	-60.37
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC=NC=C1[O-])C1=NSNC1=O	REAL300034284050	0	45	-1.0	-57.80	375.97	3.64	-54.16
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1=NSNC1=O	REAL300034284053	0	42	-1.0	-58.63	355.74	1.44	-57.19
CN1[N-]C(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=NSNC2=O)=CC1=O	REAL300034284131	0	46	-1.0	-58.38	383.67	2.97	-55.41
O=C(CC1=CC(=O)N[N-]1)N1CCC(C2CC2)C1CNC(=O)C1=NSNC1=O	REAL300034284167	1	46	-1.0	-67.07	385.14	1.76	-65.31
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC([O-])=CS1)C1=NSNC1=O	REAL300034284203	0	43	-1.0	-61.54	371.67	2.81	-58.73
CN1[N-]C(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=NSNC2=O)=CC1=O	REAL300034284259	0	46	-1.0	-58.66	388.52	2.60	-56.06
O=C(NCC1C(C2CC2)CCN1C(=O)C1=NSNC1=O)C1=CC(=O)[N-]O1	REAL300034284368	0	42	-1.0	-57.18	360.45	1.38	-55.80
CC1CC(CNC(=O)C2=NNC(=O)[N-]C2=O)CN1C(=O)C1=NSNC1=O	REAL300034285651	0	40	-1.0	-54.78	353.27	-3.14	-57.92
CC1CC(CNC(=O)CN2C(=O)[N-]NC2=O)CN1C(=O)C1=NSNC1=O	REAL300034285735	0	42	-1.0	-56.13	366.00	-1.67	-57.80
CC1CC(CNC(=O)C2=CN([O-])C(=O)C=C2)CN1C(=O)C1=NSNC1=O	REAL300034286326	0	42	-1.0	-69.27	362.98	2.80	-66.47
CC1CC(CNC(=O)C2=CC(=O)NC([O-])=C2)CN1C(=O)C1=NSNC1=O	REAL300034286440	0	42	-1.0	-48.21	364.83	-1.92	-50.13
CC1CC(CNC(=O)C2=COC(=O)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300034286451	1	38	-1.0	-46.93	336.88	-2.06	-48.99
CCN1[N-]C(C(=O)NCC2CC(C)N(C(=O)C3=NSNC3=O)C2)=CC1=O	REAL300034286621	0	45	-1.0	-51.86	384.89	1.37	-50.49
CC1CC(CNC(=O)CC2=CC(=O)N[N-]2)CN1C(=O)C1=NSNC1=O	REAL300034286629	1	42	-1.0	-60.37	362.40	-0.43	-60.80
CC1CC(CNC(=O)C2=CC=CC(=S)N2[O-])CN1C(=O)C1=NSNC1=O	REAL300034286647	0	42	-1.0	-87.74	372.96	5.04	-82.70
CC1CC(CNC(=O)CC2SC(=O)[N-]C2=O)CN1C(=O)C1=NSNC1=O	REAL300034286656	0	42	-1.0	-50.62	375.95	-1.91	-52.53
CC1CC(CNC(=O)C2=NN(C)C(=O)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300034286672	0	41	-1.0	-55.36	359.10	-0.85	-56.21
CC1CC(CNC(=O)C2=C[N-]N=CC2=O)CN1C(=O)C1=NSNC1=O	REAL300034286761	0	40	-1.0	-39.42	345.93	1.10	-38.32
CC1CC(CNC(=O)C2=CC(=O)N[N-]2)CN1C(=O)C1=NSNC1=O	REAL300034286860	0	39	-1.0	-48.60	341.73	-1.09	-49.69
CC1CC(CNC(=O)C(=O)[PH](C)(C)[O-])CN1C(=O)C1=NSNC1=O	REAL300034286865	0	44	-1.0	-46.80	374.62	0.21	-46.59
CC1CC(CNC(=O)C2=CC=CN([O-])C2=O)CN1C(=O)C1=NSNC1=O	REAL300034286896	0	42	-1.0	-54.93	360.56	2.96	-51.97
CC1CC(CNC(=O)C2=NC(=O)C(C)S2)CN1C(=O)C1=NSNC1=O	REAL300034286924	0	41	-1.0	-52.44	368.25	-0.95	-53.39
CC1=C([O-])N=C(C(=O)NCC2CC(C)N(C(=O)C3=NSNC3=O)C2)S1	REAL300034286924	1	41	-1.0	-52.44	368.25	-0.95	-53.39
CC1CC(CNC(=O)C2=CC(=O)C=C(Cl)N2)CN1C(=O)C1=NSNC1=O	REAL300034286938	0	41	-1.0	-45.62	371.86	2.22	-43.40
CC1CC(CNC(=O)C2=CC(=O)C=C(Cl)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300034286938	1	41	-1.0	-45.62	371.86	2.22	-43.40
CC1CC(CNC(=O)C2=CC(=O)N([O-])C=C2)CN1C(=O)C1=NSNC1=O	REAL300034286955	0	42	-1.0	-69.76	364.78	3.00	-66.76
CC1CC(CNC(=O)C2=CC=CC(=O)N2[O-])CN1C(=O)C1=NSNC1=O	REAL300034286988	0	42	-1.0	-82.79	361.85	4.01	-78.78
CC1CC(CNC(=O)C[N-]C(=O)C(F)(F)F)CN1C(=O)C1=NSNC1=O	REAL300034287110	0	41	-1.0	-48.50	370.46	-1.38	-49.88
CC1CC(CNC(=O)CC2=C([O-])N=C(N)S2)CN1C(=O)C1=NSNC1=O	REAL300034287111	0	43	-1.0	-66.21	383.34	-2.00	-68.21
CC1CC(CNC(=O)CC2=NC([O-])=CS2)CN1C(=O)C1=NSNC1=O	REAL300034287156	0	41	-1.0	-72.50	368.24	-1.15	-73.65
CCC1=NC=C(C(=O)NCC2CC(C)N(C(=O)C3=NSNC3=O)C2)C(=O)[N-]1	REAL300034287174	1	46	-1.0	-43.47	386.84	1.44	-42.03
CC1CC(CNC(=O)CN2N=CC(=O)[N-]C2=O)CN1C(=O)C1=NSNC1=O	REAL300034287183	0	43	-1.0	-61.75	377.75	-2.59	-64.34
CC1=CC(=O)C(C(=O)NCC2CC(C)N(C(=O)C3=NSNC3=O)C2)=N[N-]1	REAL300034287385	0	43	-1.0	-50.62	370.43	2.73	-47.89
CC1CC(CNC(=O)C2=NNC(=O)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300034287400	0	38	-1.0	-52.44	336.27	-2.52	-54.96
CC1CC(CNC(=O)C2=CN=C(C=N[O-])S2)CN1C(=O)C1=NSNC1=O	REAL300034287511	0	41	-1.0	-64.49	377.08	0.51	-63.98
COC1=NC(C(=O)NCC2CC(C)N(C(=O)C3=NSNC3=O)C2)=CC(=O)[N-]1	REAL300034287524	0	44	-1.0	-54.20	381.15	-3.23	-57.43
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=NC=CC=C1[O-]	REAL300034287780	1	41	-1.0	-66.79	352.06	2.39	-64.40
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300034287893	0	40	-1.0	-57.69	353.17	-3.21	-60.90
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)CN1C(=O)[N-]NC1=O	REAL300034288031	0	42	-1.0	-58.85	371.10	-1.75	-60.60
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300034289133	1	42	-1.0	-61.09	374.46	3.63	-57.46
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300034289156	1	43	-1.0	-47.87	379.20	2.16	-45.71
CCC1=NC=C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)CC2C)C(=O)[N-]1	REAL300034289223	1	46	-1.0	-57.98	396.66	0.85	-57.13
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=COC(=O)[N-]1	REAL300034289238	1	38	-1.0	-50.01	336.85	-1.21	-51.22
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300034289304	0	41	-1.0	-52.06	375.24	-1.50	-53.56
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)CC1=C([O-])N=C(N)S1	REAL300034289305	0	43	-1.0	-69.93	384.99	-2.29	-72.22
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C([O-])C=C1F	REAL300034289324	1	42	-1.0	-54.88	364.77	1.85	-53.03
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300034289330	0	41	-1.0	-51.72	362.22	1.34	-50.38
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300034289336	1	43	-1.0	-59.28	378.51	2.23	-57.05
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300034289339	0	41	-1.0	-57.16	369.96	1.68	-55.48
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300034289351	0	43	-1.0	-64.44	381.14	-2.90	-67.34
CC1=CC=C([O-])C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)CC2C)=N1	REAL300034289405	1	44	-1.0	-67.23	375.19	3.15	-64.08
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=C[N-]N=CC1=O	REAL300034289422	0	40	-1.0	-50.27	355.56	0.52	-49.75
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300034289429	0	42	-1.0	-74.00	364.34	2.65	-71.35
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=CC([O-])=C1F	REAL300034289504	1	42	-1.0	-71.40	364.61	1.84	-69.56
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)N[N-]1	REAL300034289586	0	39	-1.0	-52.45	341.69	-1.09	-53.54
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300034289591	0	44	-1.0	-52.90	374.97	0.06	-52.84
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300034289665	0	42	-1.0	-68.38	370.85	2.56	-65.82
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=NNC(=O)[N-]1	REAL300034289689	0	38	-1.0	-56.15	336.38	-2.56	-58.71
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=CN([O-])C1=O	REAL300034289694	0	42	-1.0	-71.98	371.88	2.64	-69.34
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(F)=CC=C1O	REAL300034289829	0	42	-1.0	-60.57	364.14	3.18	-57.39
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300034289829	1	42	-1.0	-60.57	364.14	3.18	-57.39
CC1=CC=NC(C(=O)N2CC(CNC(=O)C3=NSNC3=O)CC2C)=C1O	REAL300034289887	0	44	-1.0	-65.72	373.93	3.25	-62.47
CC1=CC=NC(C(=O)N2CC(CNC(=O)C3=NSNC3=O)CC2C)=C1[O-]	REAL300034289887	1	44	-1.0	-65.72	373.93	3.25	-62.47
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CN=CC([O-])=C1	REAL300034289979	1	41	-1.0	-57.45	353.28	-0.06	-57.51
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300034289989	0	42	-1.0	-86.31	381.36	2.99	-83.32
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300034290086	0	41	-1.0	-50.09	370.56	1.28	-48.81
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300034290123	1	42	-1.0	-53.29	374.17	2.29	-51.00
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)CC1=NC([O-])=CS1	REAL300034290130	0	41	-1.0	-73.67	371.94	-1.41	-75.08
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300034290144	0	44	-1.0	-60.60	385.65	-0.83	-61.43
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300034290145	0	42	-1.0	-63.66	364.52	3.10	-60.56
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)CC1SC(=O)[N-]C1=O	REAL300034290220	0	42	-1.0	-50.84	378.96	-2.12	-52.96
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300034290240	0	42	-1.0	-55.91	370.50	1.98	-53.93
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300034290246	0	42	-1.0	-68.20	374.14	3.13	-65.07
CC1=CC(=O)C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)CC2C)=N[N-]1	REAL300034290269	0	43	-1.0	-57.76	368.87	2.50	-55.26
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300034290288	0	42	-1.0	-82.33	370.25	2.37	-79.96
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300034290309	0	42	-1.0	-53.08	381.87	0.33	-52.75
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300034290350	0	41	-1.0	-59.25	359.15	-0.91	-60.16
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300034290396	0	43	-1.0	-59.26	378.94	3.03	-56.23
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300034290470	0	42	-1.0	-56.72	375.34	-0.02	-56.74
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C(F)C(O)=C1	REAL300034290513	0	42	-1.0	-63.79	364.55	1.85	-61.94
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300034290513	1	42	-1.0	-63.79	364.55	1.85	-61.94
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C(Cl)C=C1O	REAL300034290528	0	42	-1.0	-63.44	374.84	3.55	-59.89
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300034290528	1	42	-1.0	-63.44	374.84	3.55	-59.89
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300034290584	0	40	-1.0	-54.70	353.22	-3.70	-58.40
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300034290584	1	40	-1.0	-49.87	353.85	-2.93	-52.80
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300034290627	1	42	-1.0	-58.42	370.03	-0.80	-59.22
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C(F)C([O-])=C1F	REAL300034290657	0	42	-1.0	-65.40	370.46	1.95	-63.45
COC1=NC(C(=O)N2CC(CNC(=O)C3=NSNC3=O)CC2C)=CC(=O)[N-]1	REAL300034290697	0	44	-1.0	-58.23	379.19	-2.70	-60.93
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300034290702	0	41	-1.0	-62.30	369.79	3.08	-59.22
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300034290733	0	42	-1.0	-59.76	374.35	2.34	-57.42
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=NC=C1[O-]	REAL300034290741	0	41	-1.0	-68.04	352.78	0.86	-67.18
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300034290746	0	38	-1.0	-55.51	336.71	-0.94	-56.45
CC1=C([O-])N=C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)CC2C)S1	REAL300034290764	1	41	-1.0	-54.50	368.64	-0.43	-54.93
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300034290847	1	44	-1.0	-55.27	379.38	2.10	-53.17
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CN=C(C=N[O-])S1	REAL300034290863	0	41	-1.0	-66.30	373.39	-0.08	-66.38
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300034290880	1	41	-1.0	-48.71	371.57	2.45	-46.26
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300034290898	0	42	-1.0	-52.22	371.04	-2.37	-54.59
CCN1[N-]C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)CC2C)=CC1=O	REAL300034290952	0	45	-1.0	-58.18	385.15	1.41	-56.77
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300034290966	0	42	-1.0	-57.43	363.35	0.45	-56.98
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300034290975	0	42	-1.0	-55.98	381.86	-1.43	-57.41
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)CC1=CC(=O)N[N-]1	REAL300034291077	1	42	-1.0	-61.98	366.09	-0.69	-62.67
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300034291082	1	42	-1.0	-56.39	364.52	1.89	-54.50
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300034291118	0	42	-1.0	-59.13	367.37	1.79	-57.34
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300034291122	0	41	-1.0	-61.39	369.28	1.71	-59.68
CC1=C(CC(=O)N2CC(CNC(=O)C3=NSNC3=O)CC2C)C(=O)N(C)[N-]1	REAL300034291136	0	48	-1.0	-61.82	408.90	1.72	-60.10
CC1=CN=C(C(=O)N2CC(CNC(=O)C3=NSNC3=O)CC2C)C([O-])=C1	REAL300034291171	1	44	-1.0	-67.77	375.04	3.20	-64.57
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CC([O-])=CS1	REAL300034291190	0	39	-1.0	-63.50	349.11	0.69	-62.81
CC1CC(CNC(=O)C2=NSNC2=O)CN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300034291203	0	42	-1.0	-63.27	370.63	2.54	-60.73
CC1CC(CNC(=O)C2=CC(=O)N(C)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300034291352	0	42	-1.0	-51.25	364.54	0.63	-50.62
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300034291359	0	42	-1.0	-56.20	377.31	-1.43	-57.63
CC1CC(CNC(=O)C2=NC(=O)[N-]C(=O)N2)CN1C(=O)C1=NSNC1=O	REAL300034291508	0	40	-1.0	-51.37	354.83	-4.13	-55.50
CC1CC(CNC(=O)C2=NC(=O)NC(=O)[N-]2)CN1C(=O)C1=NSNC1=O	REAL300034291508	1	40	-1.0	-44.95	354.10	-3.56	-48.51
CC1CC(CNC(=O)CN2[N-]C(=O)C=CC2=O)CN1C(=O)C1=NSNC1=O	REAL300034291647	0	44	-1.0	-56.73	383.51	-0.48	-57.21
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NSNC1=O	REAL300034291654	0	38	-1.0	-53.33	335.09	-0.77	-54.10
CC1CC(CNC(=O)C2=CN([O-])C(=O)NC2=O)CN1C(=O)C1=NSNC1=O	REAL300034291665	0	42	-1.0	-49.97	367.18	0.62	-49.35
O=C(NC1C2OCCN(C(=O)C3=NSNC3=O)C12)C1=NNC(=O)[N-]C1=O	REAL300034292726	0	36	-1.0	-64.12	325.33	-4.38	-68.50
O=C(CN1C(=O)[N-]NC1=O)NC1C2OCCN(C(=O)C3=NSNC3=O)C12	REAL300034292795	0	38	-1.0	-61.17	344.65	-3.72	-64.89
O=C(NC1C2OCCN(C(=O)C3=NSNC3=O)C12)C1=CN([O-])C(=O)C=C1	REAL300034293289	0	38	-1.0	-71.82	342.01	0.75	-71.07
O=C(NC1C2OCCN(C(=O)C3=NSNC3=O)C12)C1=CC(=O)NC([O-])=C1	REAL300034293384	0	38	-1.0	-55.69	337.63	-3.14	-58.83
O=C(NC1C2OCCN(C(=O)C3=NSNC3=O)C12)C1=COC(=O)[N-]1	REAL300034293395	1	34	-1.0	-57.28	309.75	-3.30	-60.58
CCN1[N-]C(C(=O)NC2C3OCCN(C(=O)C4=NSNC4=O)C23)=CC1=O	REAL300034293543	0	41	-1.0	-54.21	363.53	-0.68	-54.89
O=C(CC1=CC(=O)N[N-]1)NC1C2OCCN(C(=O)C3=NSNC3=O)C12	REAL300034293550	1	38	-1.0	-64.16	340.04	-2.70	-66.86
O=C(NC1C2OCCN(C(=O)C3=NSNC3=O)C12)C1=CC=CC(=S)N1[O-]	REAL300034293565	0	38	-1.0	-90.31	345.78	3.81	-86.50
O=C(CC1SC(=O)[N-]C1=O)NC1C2OCCN(C(=O)C3=NSNC3=O)C12	REAL300034293574	0	38	-1.0	-53.77	348.34	-3.17	-56.94
CN1N=C(C(=O)NC2C3OCCN(C(=O)C4=NSNC4=O)C23)[N-]C1=O	REAL300034293587	0	37	-1.0	-64.62	331.90	-2.10	-66.72
O=C(NC1C2OCCN(C(=O)C3=NSNC3=O)C12)C1=C[N-]N=CC1=O	REAL300034293666	0	36	-1.0	-40.47	323.21	-1.14	-41.61
O=C(NC1C2OCCN(C(=O)C3=NSNC3=O)C12)C1=CC(=O)N[N-]1	REAL300034293751	0	35	-1.0	-57.86	314.57	-2.30	-60.16
C[PH](C)([O-])C(=O)C(=O)NC1C2OCCN(C(=O)C3=NSNC3=O)C12	REAL300034293755	0	40	-1.0	-57.86	346.72	-1.00	-58.86
O=C(CCC1=NC(=O)NN1)NC1C2OCCN(C(=O)C3=NSNC3=O)C12	REAL300034293781	0	40	-1.0	-61.62	355.30	-3.66	-65.28
O=C(CCC1=NC(=O)[N-]N1)NC1C2OCCN(C(=O)C3=NSNC3=O)C12	REAL300034293781	1	40	-1.0	-61.62	355.30	-3.66	-65.28
O=C(NC1C2OCCN(C(=O)C3=NSNC3=O)C12)C1=CC=CN([O-])C1=O	REAL300034293785	0	38	-1.0	-67.67	334.14	1.93	-65.74
CC1SC(C(=O)NC2C3OCCN(C(=O)C4=NSNC4=O)C23)=NC1=O	REAL300034293810	0	37	-1.0	-52.22	345.51	-3.19	-55.41
CC1=C([O-])N=C(C(=O)NC2C3OCCN(C(=O)C4=NSNC4=O)C23)S1	REAL300034293810	1	37	-1.0	-52.22	345.51	-3.19	-55.41
O=C(NC1C2OCCN(C(=O)C3=NSNC3=O)C12)C1=CC(=O)C=C(Cl)N1	REAL300034293822	0	37	-1.0	-46.33	349.49	-0.04	-46.37
O=C(NC1C2OCCN(C(=O)C3=NSNC3=O)C12)C1=CC(=O)C=C(Cl)[N-]1	REAL300034293822	1	37	-1.0	-46.33	349.49	-0.04	-46.37
O=C(NC1C2OCCN(C(=O)C3=NSNC3=O)C12)C1=CC(=O)N([O-])C=C1	REAL300034293834	0	38	-1.0	-71.69	342.37	0.73	-70.96
O=C(NC1C2OCCN(C(=O)C3=NSNC3=O)C12)C1=CC=CC(=O)N1[O-]	REAL300034293863	0	38	-1.0	-86.81	334.66	2.78	-84.03
O=C(C[N-]C(=O)C(F)(F)F)NC1C2OCCN(C(=O)C3=NSNC3=O)C12	REAL300034293966	0	37	-1.0	-55.81	344.68	-2.42	-58.23
NC1=NC([O-])=C(CC(=O)NC2C3OCCN(C(=O)C4=NSNC4=O)C23)S1	REAL300034293967	0	39	-1.0	-68.28	355.90	-3.26	-71.54
O=C(CC1=NC([O-])=CS1)NC1C2OCCN(C(=O)C3=NSNC3=O)C12	REAL300034294005	0	37	-1.0	-76.07	345.89	-3.41	-79.48
CCC1=NC=C(C(=O)NC2C3OCCN(C(=O)C4=NSNC4=O)C23)C(=O)[N-]1	REAL300034294019	1	42	-1.0	-56.90	359.02	0.23	-56.67
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CC1=CC(=O)C(C(=O)NC2C3OCCN(C(=O)C4=NSNC4=O)C23)=N[N-]1	REAL300034294204	0	39	-1.0	-62.66	342.49	1.49	-61.17
O=C(NC1C2OCCN(C(=O)C3=NSNC3=O)C12)C1=NC(=O)N[N-]1	REAL300034294217	0	34	-1.0	-59.79	308.40	-3.61	-63.40
O=C(NC1C2OCCN(C(=O)C3=NSNC3=O)C12)C1=CN=C(C=N[O-])S1	REAL300034294305	0	37	-1.0	-69.72	349.96	-0.72	-70.44
COC1=NC(C(=O)NC2C3OCCN(C(=O)C4=NSNC4=O)C23)=CC(=O)[N-]1	REAL300034294317	0	40	-1.0	-64.89	354.50	-4.31	-69.20
O=C(NC1C2OCCN(C(=O)C3=NC=CC=C3[O-])C12)C1=NSNC1=O	REAL300034294569	1	37	-1.0	-68.36	330.92	0.33	-68.03
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O=C(CN1C(=O)[N-]NC1=O)N1CCOC2C(NC(=O)C3=NSNC3=O)C21	REAL300034294820	0	38	-1.0	-70.54	343.00	-2.97	-73.51
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CCC1=NC=C(C(=O)N2CCOC3C(NC(=O)C4=NSNC4=O)C32)C(=O)[N-]1	REAL300034296012	1	42	-1.0	-52.24	364.57	-1.47	-53.71
O=C(NC1C2OCCN(C(=O)C3=COC(=O)[N-]3)C12)C1=NSNC1=O	REAL300034296027	1	34	-1.0	-49.04	313.94	-3.22	-52.26
O=C(C[N-]C(=O)C(F)(F)F)N1CCOC2C(NC(=O)C3=NSNC3=O)C21	REAL300034296093	0	37	-1.0	-59.83	347.58	-2.72	-62.55
NC1=NC([O-])=C(CC(=O)N2CCOC3C(NC(=O)C4=NSNC4=O)C32)S1	REAL300034296094	0	39	-1.0	-65.84	358.31	-3.60	-69.44
O=C(NC1C2OCCN(C(=O)C3=CC=C([O-])C=C3F)C12)C1=NSNC1=O	REAL300034296113	1	38	-1.0	-60.97	335.30	0.55	-60.42
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N#CC1=CC=C(C(=O)N2CCOC3C(NC(=O)C4=NSNC4=O)C32)C=C1[O-]	REAL300034296125	1	39	-1.0	-59.95	357.93	-0.06	-60.01
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CC1=CC=C([O-])C(C(=O)N2CCOC3C(NC(=O)C4=NSNC4=O)C32)=N1	REAL300034296194	1	40	-1.0	-69.37	352.51	0.89	-68.48
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C[PH](C)([O-])C(=O)C(=O)N1CCOC2C(NC(=O)C3=NSNC3=O)C21	REAL300034296380	0	40	-1.0	-49.24	347.26	-1.32	-50.56
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CN(CC1COCCN1C(=O)C1=CC=CC(=O)N1[O-])C(=O)C1=NSNC1=O	REAL300034310157	0	43	-1.0	-92.24	355.68	3.20	-89.04
CN(CC1COCCN1C(=O)C1=NN(C)C(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300034310190	0	42	-1.0	-59.77	350.84	-0.91	-60.68
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CN(CC1COCCN1C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)C1=NSNC1=O	REAL300034310320	0	41	-1.0	-48.69	347.40	-2.72	-51.41
CN(CC1COCCN1C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)C1=NSNC1=O	REAL300034310320	1	41	-1.0	-48.69	347.40	-2.72	-51.41
CN(CC1COCCN1C(=O)C1=CN=C(N)NC1=O)C(=O)C1=NSNC1=O	REAL300034310347	0	43	-1.0	-60.07	361.87	-0.35	-60.42
CN(CC1COCCN1C(=O)C1=CN=C(N)[N-]C1=O)C(=O)C1=NSNC1=O	REAL300034310347	1	43	-1.0	-60.07	361.87	-0.35	-60.42
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NSNC1=O	REAL300034310413	0	39	-1.0	-57.48	328.14	-1.09	-58.57
CC1SC(C(=O)N2CCOCC2CN(C)C(=O)C2=NSNC2=O)=NC1=O	REAL300034310425	0	42	-1.0	-58.10	360.94	-0.28	-58.38
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CN(CC1COCCN1C(=O)C1=CC(=O)NC([O-])=C1)C(=O)C1=NSNC1=O	REAL300034310504	0	43	-1.0	-51.97	357.12	-2.59	-54.56
CCN1[N-]C(C(=O)N2CCOCC2CN(C)C(=O)C2=NSNC2=O)=CC1=O	REAL300034310539	0	46	-1.0	-56.36	377.87	1.56	-54.80
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CN(CC1COCCN1C(=O)CC1=CC(=O)N[N-]1)C(=O)C1=NSNC1=O	REAL300034310610	1	43	-1.0	-63.34	355.75	-0.87	-64.21
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CN(CC1COCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)N(C)[N-]1	REAL300034310761	0	43	-1.0	-59.27	356.75	0.47	-58.80
CN(CC1COCCN1C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300034310842	0	41	-1.0	-55.39	347.36	-3.56	-58.95
CN(CC1COCCN1C(=O)C1=NSNC1=O)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300034310842	1	41	-1.0	-51.91	348.48	-2.80	-54.71
CN(CC1COCCN1C(=O)C1=NSNC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300034310933	0	39	-1.0	-59.79	329.41	-1.11	-60.90
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C12CC2)C1=NNC(=O)[N-]C1=O	REAL300034311740	0	41	-1.0	-59.28	358.23	-2.81	-62.09
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O=C(NCC1CCN(C(=O)C2=NSNC2=O)C12CC2)C1=CN([O-])C(=O)C=C1	REAL300034312171	0	43	-1.0	-74.18	369.31	3.31	-70.87
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C12CC2)C1=CC(=O)NC([O-])=C1	REAL300034312250	0	43	-1.0	-52.72	369.78	-1.59	-54.31
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CCN1[N-]C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C23CC3)=CC1=O	REAL300034312378	0	46	-1.0	-56.30	391.22	1.88	-54.42
O=C(CC1=CC(=O)N[N-]1)NCC1CCN(C(=O)C2=NSNC2=O)C12CC2	REAL300034312385	1	43	-1.0	-65.62	367.35	-0.11	-65.73
CN1N=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C23CC3)[N-]C1=O	REAL300034312408	0	42	-1.0	-59.65	364.00	-0.55	-60.20
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C12CC2)C1=C[N-]N=CC1=O	REAL300034312465	0	41	-1.0	-43.40	350.90	1.41	-41.99
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C[PH](C)([O-])C(=O)C(=O)NCC1CCN(C(=O)C2=NSNC2=O)C12CC2	REAL300034312535	0	45	-1.0	-52.34	379.59	0.57	-51.77
O=C(CCC1=NC(=O)NN1)NCC1CCN(C(=O)C2=NSNC2=O)C12CC2	REAL300034312556	0	45	-1.0	-64.62	382.61	-1.08	-65.70
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O=C(NCC1CCN(C(=O)C2=NSNC2=O)C12CC2)C1=CC=CN([O-])C1=O	REAL300034312559	0	43	-1.0	-58.72	366.90	3.49	-55.23
CC1SC(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C23CC3)=NC1=O	REAL300034312580	0	42	-1.0	-56.49	373.22	-0.62	-57.11
CC1=C([O-])N=C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C23CC3)S1	REAL300034312580	1	42	-1.0	-56.49	373.22	-0.62	-57.11
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C12CC2)C1=CC(=O)N([O-])C=C1	REAL300034312596	0	43	-1.0	-74.27	369.68	3.31	-70.96
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C12CC2)C1=CC=CC(=O)N1[O-]	REAL300034312621	0	43	-1.0	-89.11	366.82	4.33	-84.78
O=C(CC1=NC([O-])=CS1)NCC1CCN(C(=O)C2=NSNC2=O)C12CC2	REAL300034312735	0	42	-1.0	-76.83	373.19	-0.84	-77.67
CC1=CC(=O)C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C23CC3)=N[N-]1	REAL300034312889	0	44	-1.0	-55.77	375.39	3.05	-52.72
O=C(NCC1CCN(C(=O)C2=NSNC2=O)C12CC2)C1=NC(=O)N[N-]1	REAL300034312899	0	39	-1.0	-51.07	341.13	-2.00	-53.07
O=C(NCC1CCN(C(=O)C2=NC=CC=C2[O-])C12CC2)C1=NSNC1=O	REAL300034313241	1	42	-1.0	-71.09	358.55	2.90	-68.19
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O=C(CN1C(=O)[N-]NC1=O)N1CCC(CNC(=O)C2=NSNC2=O)C12CC2	REAL300034313417	0	43	-1.0	-64.70	375.39	-1.29	-65.99
O=C(NCC1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C12CC2)C1=NSNC1=O	REAL300034314982	1	43	-1.0	-71.29	369.61	2.24	-69.05
O=C(NCC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C12CC2)C1=NSNC1=O	REAL300034315023	0	41	-1.0	-51.68	360.16	-2.33	-54.01
O=C(NCC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C12CC2)C1=NSNC1=O	REAL300034315023	1	41	-1.0	-51.68	360.16	-2.33	-54.01
NC1=NC=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C23CC3)C(=O)N1	REAL300034315052	0	43	-1.0	-63.61	374.03	-0.48	-64.09
NC1=NC=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C23CC3)C(=O)[N-]1	REAL300034315052	1	43	-1.0	-63.61	374.03	-0.48	-64.09
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CC1SC(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C23CC3)=NC1=O	REAL300034315141	0	42	-1.0	-59.33	373.46	0.00	-59.33
CC1=C([O-])N=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C23CC3)S1	REAL300034315141	1	42	-1.0	-59.33	373.46	0.00	-59.33
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CCN1[N-]C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C23CC3)=CC1=O	REAL300034315268	0	46	-1.0	-60.31	391.22	1.96	-58.35
CN1[N-]C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C23CC3)=CC1=O	REAL300034315280	0	43	-1.0	-59.45	369.40	1.03	-58.42
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CC1=CN=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C23CC3)C(O)=C1	REAL300034315401	0	45	-1.0	-72.63	379.86	3.57	-69.06
CC1=CN=C(C(=O)N2CCC(CNC(=O)C3=NSNC3=O)C23CC3)C([O-])=C1	REAL300034315401	1	45	-1.0	-72.63	379.86	3.57	-69.06
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CN1[N-]C(C(=O)NCC2CCN(C(=O)C3=NSNC3=O)C23CC3)=CC1=O	REAL300034315516	0	43	-1.0	-55.44	369.35	1.01	-54.43
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CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=COC(=O)[N-]1)C1=CC=CC=C1	REAL300034316323	1	41	-1.0	-54.67	364.35	0.78	-53.89
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=CC(=O)N[N-]1)C1=CC=CC=C1	REAL300034316417	0	42	-1.0	-52.97	366.62	1.03	-51.94
CN(C(=O)C1=NSNC1=O)C(CNC(=O)C1=NC(=O)N[N-]1)C1=CC=CC=C1	REAL300034316504	0	41	-1.0	-54.24	361.21	-0.25	-54.49
CN(C(=O)C1=NC=CC=C1[O-])C(CNC(=O)C1=NSNC1=O)C1=CC=CC=C1	REAL300034316690	1	44	-1.0	-58.43	378.51	4.72	-53.71
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CCN1[N-]C(C(=O)N2CC[C@@H]3CN(C(=O)C4=NSNC4=O)CC[C@@H]32)=CC1=O	REAL300034321597	0	46	-1.0	-55.31	372.03	2.90	-52.41
CN1[N-]C(C(=O)N2CC[C@@H]3CN(C(=O)C4=NSNC4=O)CC[C@@H]32)=CC1=O	REAL300034321609	0	43	-1.0	-54.70	350.24	1.96	-52.74
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