CCCN(CC1=NC(=O)C2=C(C=CS2)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024341150	0	39	-2.0	-99.16	365.99	1.56	-97.60
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=CSC(N2CCOCC2)=N1	REAL300024341177	0	38	-2.0	-97.75	361.39	-4.23	-101.98
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=CC=C(COC2=CC=CC=C2)O1	REAL300024341208	0	40	-2.0	-97.84	380.82	0.29	-97.55
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=CC=C(Br)S1	REAL300024341364	0	26	-2.0	-87.95	299.44	-1.39	-89.34
CC1=C(C(=O)[N-]NC(=O)CSC2=NNC(=O)[N-]2)SC(C2=CC=CC=C2)=N1	REAL300024341368	1	38	-2.0	-93.58	369.49	0.39	-93.19
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=CC=CC=C2)=CS1	REAL300024341488	1	31	-2.0	-91.42	307.61	1.51	-89.91
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=CC=CC=C2S1	REAL300024341571	1	27	-2.0	-96.17	278.46	0.62	-95.55
COC1=CC=C(C2=C(C)SC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C=C1	REAL300024341573	1	38	-2.0	-93.00	356.69	1.38	-91.62
CCOC1=CC=C(C2=C(C)SC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C=C1	REAL300024341574	1	41	-2.0	-92.79	378.55	2.30	-90.49
CC1=C2N=C([N-]C(=O)CSC3=NNC(=O)[N-]3)SC2=CC=C1	REAL300024341575	1	30	-2.0	-92.95	297.35	0.88	-92.07
CCCC1=CC=C(C2=C(C)SC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C=C1	REAL300024341576	1	43	-2.0	-93.32	390.12	4.26	-89.06
COC1=CC=C2N=C([N-]C(=O)CSC3=NNC(=O)[N-]3)SC2=C1	REAL300024341599	1	31	-2.0	-94.46	307.98	-0.11	-94.57
CN(CC1=NC(=O)C2=CC=CC=C2[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024341656	1	36	-2.0	-98.39	334.03	0.93	-97.46
CCN(CC1=NC(=O)C2=CC=CC=C2[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024341669	1	39	-2.0	-98.12	354.00	1.84	-96.28
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=NNC(C2=CC=CC=C2)=C1	REAL300024341741	1	36	-2.0	-99.60	346.01	-1.22	-100.82
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300024341764	0	30	-2.0	-98.79	293.69	-0.87	-99.66
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300024341764	1	30	-2.0	-98.79	293.75	-0.88	-99.67
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=NOC(C2=CC=CC=C2)=C1	REAL300024341816	0	35	-2.0	-97.42	343.44	-0.16	-97.58
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300024341859	0	36	-2.0	-102.68	328.99	-2.34	-105.02
CC1=CC(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)=C(C)S1	REAL300024341939	1	34	-2.0	-89.67	338.18	2.31	-87.36
CN(CC1=NC(=O)C2=C(C=CS2)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024341995	0	33	-2.0	-99.58	324.52	-0.10	-99.68
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(CC2=CC=CC=C2)S1	REAL300024342076	1	34	-2.0	-93.81	334.40	2.79	-91.02
CN(CC1=NC(=O)C2=C(C=CS2)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024342193	0	33	-2.0	-99.58	324.52	-0.10	-99.68
COC1=CC=C(NC(=O)CSC2=NNC(=O)[N-]2)C=C1[N-]S(C)(=O)=O	REAL300024342197	1	37	-2.0	-91.82	347.40	-3.14	-94.96
CC(C)(C1=NN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1)C1=CC=CC=C1	REAL300024342359	0	39	-2.0	-100.47	359.95	2.40	-98.07
CC1=C(SCC(N)=O)SC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024342374	1	32	-2.0	-89.61	330.45	-3.43	-93.04
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C2=CC(=O)N[N-]2)C=C1	REAL300024342459	1	33	-2.0	-88.70	313.40	-1.25	-89.95
CC1=CC=C(C2=CC(C(=O)[N-]NC(=O)CSC3=NNC(=O)[N-]3)=NN2)C=C1	REAL300024342816	1	39	-2.0	-99.52	367.41	-0.54	-100.06
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300024343034	0	37	-2.0	-91.16	343.83	-0.77	-91.93
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(CC2=CC=CC=C2F)S1	REAL300024343039	1	34	-2.0	-95.68	339.86	2.82	-92.86
CC1=CC=C(CC2=CN=C([N-]C(=O)CSC3=NNC(=O)[N-]3)S2)C=C1F	REAL300024343040	1	37	-2.0	-94.44	361.13	3.50	-90.94
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(CC2=CC=CC(F)=C2)S1	REAL300024343041	1	34	-2.0	-93.99	340.81	2.86	-91.13
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024343042	1	34	-2.0	-95.60	330.28	2.46	-93.14
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(C2=CC=CC=C2)S1	REAL300024343043	1	31	-2.0	-94.12	309.02	1.88	-92.24
CC1=CC(Cl)=CC=C1CC1=CN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024343045	1	37	-2.0	-93.42	363.57	3.64	-89.78
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(CC2=CC=C(F)C=C2)S1	REAL300024343046	1	34	-2.0	-93.02	340.81	2.86	-90.16
CC1(C)CC2=C(SC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C(=O)C1	REAL300024343059	1	36	-2.0	-93.64	331.70	0.39	-93.25
CC(C)(C)C1=CC=C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C=C1	REAL300024343060	1	43	-2.0	-91.05	383.73	3.83	-87.22
COC1=CC=C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C=C1	REAL300024343061	1	35	-2.0	-91.12	337.06	0.81	-90.31
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(SCC2=CC=CC=C2)S1	REAL300024343062	0	34	-2.0	-92.71	352.30	2.19	-90.52
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=CC=C3OCCOC3=C2)=CS1	REAL300024343063	1	37	-2.0	-94.29	352.16	0.66	-93.63
CC1=C(C2=CC=CC=C2)N=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024343064	1	34	-2.0	-93.59	325.78	2.04	-91.55
CC1=C(C2=CC=CC(Cl)=C2)N=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024343065	1	34	-2.0	-92.69	343.74	2.59	-90.10
CC1=C(C2=CC=C(C)C=C2)N=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024343066	1	37	-2.0	-93.74	347.17	2.72	-91.02
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(CN2CCOCC2)=CS1	REAL300024343073	1	37	-2.0	-89.03	339.06	-3.22	-92.25
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(CC2=CC=CC=C2Cl)S1	REAL300024343074	1	34	-2.0	-95.08	346.04	3.13	-91.95
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1	REAL300024343075	1	34	-2.0	-93.76	347.11	2.91	-90.85
CC1=CC=C(CC2=CN=C([N-]C(=O)CSC3=NNC(=O)[N-]3)S2)C=C1Cl	REAL300024343076	1	37	-2.0	-93.81	369.87	3.90	-89.91
CCOC(=O)CC1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024343084	1	33	-2.0	-95.96	327.10	0.17	-95.79
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024343094	1	37	-2.0	-97.72	354.74	3.17	-94.55
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024343098	1	40	-2.0	-95.66	373.38	3.91	-91.75
CC1=C(CC2=CC=CC(F)=C2)SC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024343099	1	37	-2.0	-95.11	354.98	3.17	-91.94
CC1=C(CC2=CC=CC(Cl)=C2)SC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024343100	1	37	-2.0	-94.58	365.30	3.62	-90.96
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024343101	1	37	-2.0	-94.64	358.38	3.30	-91.34
CC1=C(CC2=CC=CC=C2Cl)SC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024343113	1	37	-2.0	-96.94	360.93	3.46	-93.48
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(Br)S1	REAL300024343307	1	21	-2.0	-82.71	250.74	-1.52	-84.23
CC1=CC=C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C=C1C	REAL300024343333	1	37	-2.0	-92.48	346.04	2.71	-89.77
COC(=O)CC1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024343334	1	30	-2.0	-95.86	305.24	-0.75	-96.61
CC1=C(C2=CC=C(F)C=C2)N=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024343336	1	34	-2.0	-89.49	332.13	2.11	-87.38
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(CN2CCCCC2)=CS1	REAL300024343337	1	39	-2.0	-90.02	347.86	-0.75	-90.77
CC1CN(CC2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)CC(C)O1	REAL300024343340	1	43	-2.0	-88.90	380.40	-1.92	-90.82
CC(C)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024343342	1	40	-2.0	-99.17	370.25	3.80	-95.37
CCCCC1=NN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024343381	0	32	-2.0	-94.06	312.51	0.04	-94.02
CCCCCCCCC1=NN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024343382	0	44	-2.0	-93.96	398.50	3.16	-90.80
CCCCCC1=NN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024343383	0	35	-2.0	-93.97	334.01	0.82	-93.15
CCC(CC)C1=NN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024343384	0	35	-2.0	-95.59	328.82	0.39	-95.20
CCCC1=NN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024343385	0	29	-2.0	-93.92	291.01	-0.74	-94.66
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C2=CC=CC=C2)S1	REAL300024343386	0	30	-2.0	-97.16	306.11	0.73	-96.43
CC(C)C1=NN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024343387	0	29	-2.0	-94.48	290.33	-0.90	-95.38
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300024343388	0	36	-2.0	-94.97	331.97	0.99	-93.98
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C2=CC=CO2)S1	REAL300024343389	0	27	-2.0	-94.62	289.21	-1.05	-95.67
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C(F)(F)F)S1	REAL300024343390	0	23	-2.0	-84.35	267.47	-1.85	-86.20
CC(C)(C)C1=NN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024343391	0	32	-2.0	-95.82	308.56	-0.42	-96.24
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C2=CC=CC=N2)S1	REAL300024343394	0	29	-2.0	-98.36	302.31	-1.01	-99.37
CS(=O)(=O)[N-]C1=NN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024343395	0	27	-3.0	-174.74	302.47	-5.09	-179.83
CS(=O)(=O)[N-]C1=NN=C(NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024343395	1	28	-2.0	-98.95	305.76	-4.00	-102.95
CCCC(=O)[N-]C1=NC2=CC=C(NC(=O)CSC3=NNC(=O)[N-]3)C=C2S1	REAL300024343442	1	40	-2.0	-93.08	376.59	1.08	-92.00
CC(C)N(CC1=NC(=O)C2=CC=CC=C2[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024343443	1	42	-2.0	-97.11	367.11	2.84	-94.27
NC(=O)CC1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024343450	1	28	-2.0	-100.60	287.45	-4.67	-105.27
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C23CC4CC(CC(C4)C2)C3)S1	REAL300024343454	0	44	-2.0	-97.65	370.32	2.57	-95.08
C=CCSC1=NN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024343455	0	28	-2.0	-91.50	305.21	-0.28	-91.78
CC(C)CC1=NN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024343456	0	32	-2.0	-94.63	309.26	-0.14	-94.77
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(SCC2=CC=C(F)C=C2)S1	REAL300024343457	0	34	-2.0	-90.75	358.72	2.26	-88.49
CCOC(=O)CSC1=NN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024343458	0	33	-2.0	-90.52	348.05	0.10	-90.42
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C(F)F)S1	REAL300024343476	0	23	-2.0	-87.85	261.17	-2.01	-89.86
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(CC2=CC=C(F)C=C2F)S1	REAL300024343485	1	34	-2.0	-94.46	345.24	2.85	-91.61
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C2=CC=CC=C2Cl)S1	REAL300024343611	0	30	-2.0	-97.97	318.99	1.54	-96.43
CC1=CC=C(C2=NN=C([N-]C(=O)CSC3=NNC(=O)[N-]3)S2)C(C)=C1	REAL300024343682	0	36	-2.0	-96.60	342.87	2.28	-94.32
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024344081	1	37	-2.0	-95.33	348.64	3.11	-92.22
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300024344138	0	30	-2.0	-87.67	293.94	-0.88	-88.55
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300024344138	1	30	-2.0	-87.70	293.99	-0.89	-88.59
CCOC1=CC=C2N=C([N-]C(=O)CSC3=NNC(=O)[N-]3)SC2=C1	REAL300024344262	1	34	-2.0	-94.20	329.84	0.82	-93.38
O=C(CSC1=NNC(=O)[N-]1)NN=C1[N-]C(C2=CC=NC=C2)=NO1	REAL300024344325	0	31	-2.0	-88.49	311.98	-3.40	-91.89
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=CC3=C(C=C2S1)OCCO3	REAL300024344448	1	33	-2.0	-91.66	320.93	-0.70	-92.36
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300024344474	0	31	-2.0	-98.47	304.86	-1.61	-100.08
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=C(COCC2)S1	REAL300024344520	1	29	-2.0	-89.48	283.70	-2.04	-91.52
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=CC(F)=C(F)C=C2S1	REAL300024344530	1	27	-2.0	-85.80	291.17	0.74	-85.06
CC1=C(SCC#N)SC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024344574	1	29	-2.0	-84.34	313.79	0.24	-84.10
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1	REAL300024344586	0	30	-2.0	-93.87	322.83	1.23	-92.64
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=CC=CC=C2OC(F)F)=CS1	REAL300024344622	1	35	-2.0	-93.14	344.56	1.52	-91.62
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=C(Cl)C=CC=C1Cl	REAL300024344624	1	29	-2.0	-96.46	319.64	-0.41	-96.87
CC1=CC=C2N=C([N-]C(=O)CSC3=NNC(=O)[N-]3)SC2=C1	REAL300024344656	1	30	-2.0	-96.27	299.87	1.28	-94.99
COC1=C2N=C([N-]C(=O)CSC3=NNC(=O)[N-]3)SC2=CC=C1	REAL300024344657	1	31	-2.0	-96.85	305.83	-0.55	-97.40
CC(C)(C)C1=NSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024344736	0	32	-2.0	-87.09	307.11	-0.25	-87.34
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=CC(F)=CC=C1Br	REAL300024344751	1	29	-2.0	-89.91	309.29	-0.35	-90.26
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=CC=CN2)=CS1	REAL300024344789	1	29	-2.0	-91.82	295.13	-0.69	-92.51
NC(=O)C1=CC(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)=CN1	REAL300024344790	1	33	-2.0	-104.29	331.73	-4.04	-108.33
CC1=CN=C([N-]C(=O)C2CSCN2C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024344797	1	36	-2.0	-98.25	351.97	1.26	-96.99
O=C(CSC1=NNC(=O)[N-]1)NCC1=N[N-]C(=S)N1C1CC1	REAL300024344857	1	32	-2.0	-86.43	309.90	0.73	-85.70
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=N[N-]C(=S)N2C2CC2)CC1	REAL300024344858	1	42	-2.0	-94.41	368.06	4.14	-90.27
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3	REAL300024344867	1	30	-2.0	-80.31	316.04	-0.76	-81.07
CC(=O)NC1=CC=C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C=C1	REAL300024344872	1	38	-2.0	-99.94	363.66	0.40	-99.54
CCOC(=O)C1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024344873	1	30	-2.0	-84.67	307.43	-0.67	-85.34
COC1=CC=C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C=C1OC	REAL300024344875	1	39	-2.0	-92.27	366.27	0.71	-91.56
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=CC=CC=C2Cl)=CS1	REAL300024344876	1	31	-2.0	-92.80	324.83	2.12	-90.68
CC1=CC=C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C=C1	REAL300024344877	1	34	-2.0	-91.54	329.01	2.18	-89.36
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=CC=C3CCCCC3=C2)=CS1	REAL300024344878	1	41	-2.0	-92.73	370.38	4.00	-88.73
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=CC=CS2)=CS1	REAL300024344879	1	28	-2.0	-89.56	300.45	0.57	-88.99
CCC1=CC=C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C=C1	REAL300024344880	1	37	-2.0	-91.25	350.49	2.95	-88.30
CC1=CC(C)=C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C(C)=C1	REAL300024344881	1	40	-2.0	-91.90	365.91	3.32	-88.58
COC1=CC=C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C(OC)=C1	REAL300024344882	1	39	-2.0	-95.56	364.23	0.55	-95.01
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=CC=CC=N2)=CS1	REAL300024344883	1	30	-2.0	-92.06	304.87	-0.12	-92.18
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300024344979	0	33	-2.0	-85.70	319.78	-0.75	-86.45
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300024344979	1	33	-2.0	-85.67	319.84	-0.76	-86.43
CC(C)N1C(=S)[N-]N=C1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024344982	1	44	-2.0	-93.91	378.20	4.19	-89.72
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(C2=N[N-]N=N2)C1	REAL300024344983	0	31	-2.0	-87.09	289.02	-3.13	-90.22
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(C2=NN=N[N-]2)C1	REAL300024344983	1	31	-2.0	-87.08	289.08	-3.10	-90.18
CCN1C(=S)[N-]N=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024344990	1	31	-2.0	-87.21	308.00	0.54	-86.67
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=CC=C3CCCC3=C2)=CS1	REAL300024345019	1	38	-2.0	-92.98	353.22	3.42	-89.56
CSC1=CC=C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C=C1	REAL300024345021	1	35	-2.0	-90.61	347.75	2.53	-88.08
CC1=CC=C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)S1	REAL300024345023	1	31	-2.0	-90.12	322.33	1.37	-88.75
CC1=C2N=C([N-]C(=O)CSC3=NNC(=O)[N-]3)SC2=C(C)C=C1	REAL300024345024	1	33	-2.0	-93.92	317.72	1.50	-92.42
CCC1=CC=C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)S1	REAL300024345025	1	34	-2.0	-89.82	343.82	2.15	-87.67
COC1=CC=C(C)C=C1C1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024345026	1	38	-2.0	-95.95	356.19	1.91	-94.04
CC(=O)NCC1=CC=C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)O1	REAL300024345027	1	38	-2.0	-90.82	374.62	-1.22	-92.04
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=CC=C3OCCC3=C2)=CS1	REAL300024345028	1	36	-2.0	-91.13	343.54	1.36	-89.77
COC(=O)C1=CC(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)=CN1	REAL300024345029	1	35	-2.0	-98.72	351.37	-0.21	-98.93
CC1=NC(C)=C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)S1	REAL300024345030	1	33	-2.0	-89.06	333.78	0.49	-88.57
CC1=CC(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)=C(C)O1	REAL300024345031	1	34	-2.0	-90.22	333.02	1.25	-88.97
COC1=C2N=C([N-]C(=O)CSC3=NNC(=O)[N-]3)SC2=CC(F)=C1	REAL300024345034	1	31	-2.0	-89.95	312.24	-0.48	-90.43
CCOC1=CC=C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C=C1	REAL300024345035	1	38	-2.0	-90.90	358.92	1.73	-89.17
CC(C)CC1=CC=C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C=C1	REAL300024345036	1	43	-2.0	-91.23	388.73	4.19	-87.04
CC1=CC=CC=C1C1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024345037	1	34	-2.0	-90.52	323.29	2.70	-87.82
COC1=CC=CC=C1C1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024345038	1	35	-2.0	-96.00	334.80	1.24	-94.76
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=CC=CO2)=CS1	REAL300024345039	1	28	-2.0	-89.74	291.91	-0.42	-90.16
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=CC=C(OC(F)F)C=C2)=CS1	REAL300024345041	1	35	-2.0	-91.24	346.81	1.09	-90.15
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300024345054	1	35	-2.0	-97.04	333.03	-2.85	-99.89
CCN1C(=S)[N-]N=C1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024345058	1	41	-2.0	-95.37	360.77	3.77	-91.60
CC1=CC(C)=C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C=C1C	REAL300024345062	1	40	-2.0	-91.84	367.13	3.46	-88.38
COC1=CC=C(OC)C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)=C1	REAL300024345063	1	39	-2.0	-95.98	364.25	0.54	-95.44
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=CC=C3OCOC3=C2)=CS1	REAL300024345064	1	34	-2.0	-92.12	333.72	0.16	-91.96
CC1=CC=C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C(C)=C1	REAL300024345065	1	37	-2.0	-90.65	344.67	3.37	-87.28
CCCCC1=CC=C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C=C1	REAL300024345066	1	43	-2.0	-91.12	393.49	4.51	-86.61
CC1=CC=C(C2=C(C)SC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)S1	REAL300024345069	1	34	-2.0	-92.28	339.91	1.99	-90.29
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(CC2=CC=CC=C2)=NS1	REAL300024345073	0	33	-2.0	-86.52	327.74	1.60	-84.92
CN1C(=S)[N-]N=C1C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024345075	1	38	-2.0	-94.61	344.25	3.05	-91.56
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=CC=C(OC(F)(F)F)C=C2S1	REAL300024345094	1	31	-2.0	-88.38	324.48	0.39	-87.99
CN1C(=S)[N-]N=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024345103	1	28	-2.0	-86.77	286.19	-0.35	-87.12
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(CC2=CC=C(F)C=C2)S1	REAL300024345106	0	33	-2.0	-93.92	335.83	1.57	-92.35
COCC1=C2N=C([N-]C(=O)CSC3=NNC(=O)[N-]3)SC2=CC=C1	REAL300024345151	1	34	-2.0	-90.50	329.07	0.09	-90.41
CN1C(=S)[N-]N=C1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024345217	1	31	-2.0	-95.42	308.37	0.28	-95.14
CN1C(=S)[N-]N=C1C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024345244	1	38	-2.0	-90.33	344.23	3.03	-87.30
CCN1C(=S)[N-]N=C1C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024345245	1	41	-2.0	-90.07	361.02	3.77	-86.30
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=C(OC(F)F)C=CC=C2S1	REAL300024345260	1	31	-2.0	-93.55	315.60	-0.27	-93.82
CC1=CC=C(CC2=NN=C([N-]C(=O)CSC3=NNC(=O)[N-]3)S2)C=C1	REAL300024345386	0	36	-2.0	-95.28	350.83	2.17	-93.11
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(CC2=CC=CC=C2F)S1	REAL300024345391	0	33	-2.0	-99.14	335.00	1.54	-97.60
CC1=CC(C)=CC(C2=NN=C([N-]C(=O)CSC3=NNC(=O)[N-]3)S2)=C1	REAL300024345413	0	36	-2.0	-97.56	348.91	2.06	-95.50
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024345442	1	37	-2.0	-95.46	337.48	-1.98	-97.44
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C=CC2=CC=CC=C2)=CS1	REAL300024345482	1	35	-2.0	-90.88	341.82	2.91	-87.97
CC(C)N1C(=S)[N-]N=C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024345572	1	34	-2.0	-86.07	319.91	0.76	-85.31
CC(C)N1C(=S)[N-]N=C1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024345573	1	37	-2.0	-94.68	342.09	1.40	-93.28
CCN1C(=S)[N-]N=C1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024345574	1	34	-2.0	-96.04	330.18	1.17	-94.87
O=C(CSC1=NNC(=O)[N-]1)NN=C1[N-]C(C2=CC=C(Cl)C=C2)=NO1	REAL300024345599	0	32	-2.0	-87.93	333.55	-1.09	-89.02
CC1=CC=CC(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)=C1	REAL300024345625	1	34	-2.0	-92.03	329.07	2.17	-89.86
CC(C)N1C(=S)[N-]N=C1C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024345635	1	44	-2.0	-89.08	378.21	4.17	-84.91
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2=N[N-]C(=S)N2C2CC2)C1	REAL300024345636	1	42	-2.0	-89.29	368.67	4.14	-85.15
O=C(CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)[N-]C1=NN=CS1	REAL300024345639	0	39	-2.0	-93.45	352.33	-3.24	-96.69
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1	REAL300024345685	0	30	-2.0	-84.66	310.85	1.26	-83.40
O=C(CSC1=NNC(=O)[N-]1)NN=C1[N-]C(C2=CC=CN=C2)=NO1	REAL300024345726	0	31	-2.0	-91.23	311.80	-3.40	-94.63
O=C(CSC1=NNC(=O)[N-]1)NN=C1[N-]C(C2=CC=CC=C2)=NO1	REAL300024345727	0	32	-2.0	-93.23	316.82	-1.61	-94.84
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300024345737	0	34	-2.0	-87.14	324.19	-1.33	-88.47
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300024345737	1	34	-2.0	-87.15	324.25	-1.32	-88.47
CC(C)CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=N[N-]N=N1	REAL300024345820	0	35	-2.0	-91.04	318.88	-1.57	-92.61
CC(C)CC(NC(=O)CSC1=NNC(=O)[N-]1)C1=NN=N[N-]1	REAL300024345820	1	35	-2.0	-91.07	318.94	-1.56	-92.63
CCC1=N[N-]C(=S)N1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024345830	1	34	-2.0	-95.16	330.17	1.20	-93.96
CC1=N[N-]C(=S)N1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024345931	1	31	-2.0	-95.36	308.00	0.35	-95.01
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=C(SC=C2)S1	REAL300024345956	1	24	-2.0	-90.48	266.86	-0.74	-91.22
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=C(COCC2)S1	REAL300024345981	1	29	-2.0	-89.48	283.70	-2.04	-91.52
COC(=O)CCCC1=NN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024346097	0	35	-2.0	-101.00	346.47	0.07	-100.93
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C(F)(F)OC1=CC=CC=C1	REAL300024346138	0	33	-2.0	-92.56	327.19	-0.44	-93.00
CC1=C(C2=CC=C3CCCC3=C2)N=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024346285	1	41	-2.0	-95.12	371.30	3.95	-91.17
CC(C)(C)C1=CN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024346286	1	33	-2.0	-93.94	312.61	0.84	-93.10
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=CC2=CC=CC=C2O1	REAL300024346343	0	32	-2.0	-97.57	316.09	-0.77	-98.34
CC1=CC(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)=C(F)C=C1F	REAL300024346355	1	34	-2.0	-86.99	337.63	2.19	-84.80
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(CC2=CC=CC(Cl)=C2)S1	REAL300024346398	0	33	-2.0	-95.23	346.16	2.01	-93.22
CC1=CC=CC=C1C1=CN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024346485	1	34	-2.0	-94.88	327.62	2.37	-92.51
COC(=O)C1=C(C(C)(C)C)N=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024346748	1	39	-2.0	-85.60	352.51	0.54	-85.06
CC1=CC(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)=CC=C1F	REAL300024346858	1	34	-2.0	-87.77	334.36	2.21	-85.56
COC(=O)CCCC1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024346888	1	36	-2.0	-96.30	348.94	0.72	-95.58
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C2[N-]C(=S)OC2=C1	REAL300024346970	0	28	-2.0	-94.63	288.70	-1.97	-96.60
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300024347006	1	41	-2.0	-90.28	358.63	2.34	-87.94
COC(=O)CCC1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024347183	1	33	-2.0	-87.64	327.45	-0.05	-87.69
CN1C=CN=C1C1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024347318	1	31	-2.0	-89.11	308.84	0.37	-88.74
COC1=CC=C(C2=CSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C=C1Cl	REAL300024347332	1	35	-2.0	-91.70	353.07	1.36	-90.34
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=CC=CC(F)=C2)=CS1	REAL300024347333	1	31	-2.0	-87.77	314.02	1.57	-86.20
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=CC=CC(Cl)=C2)=CS1	REAL300024347334	1	31	-2.0	-87.87	324.34	2.03	-85.84
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=C(F)C=CC=C2F)=CS1	REAL300024347335	1	31	-2.0	-97.22	315.36	1.74	-95.48
COC1=CC=C(F)C=C1C1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024347336	1	35	-2.0	-92.47	341.20	1.31	-91.16
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=CC=C(O)C=C2)=CS1	REAL300024347346	1	32	-2.0	-90.73	318.61	-1.35	-92.08
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300024347348	0	26	-2.0	-92.07	288.51	-1.12	-93.19
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024347449	0	26	-2.0	-81.50	286.55	-0.18	-81.68
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=C(F)C(F)=CC=C2S1	REAL300024347494	1	27	-2.0	-96.37	291.14	0.74	-95.63
CC(CO[N-]C(=O)CSC1=NNC(=O)[N-]1)NC(=O)OC(C)(C)C	REAL300024347501	0	42	-2.0	-92.73	369.75	-0.98	-93.71
CC(C)CC(NC(=O)CSC1=NNC(=O)[N-]1)C(=O)[N-]C1=NC=CS1	REAL300024347554	1	40	-2.0	-84.49	365.48	0.33	-84.16
CCC1=C(C(=O)OC)SC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024347574	1	33	-2.0	-84.95	323.92	-0.24	-85.19
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C([O-])C(Cl)=C1	REAL300024347681	1	26	-2.0	-88.42	271.36	-0.81	-89.23
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024347733	0	35	-2.0	-92.32	336.79	-2.81	-95.13
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C2=CC=NC=C2)S1	REAL300024347771	0	29	-2.0	-92.90	301.29	-1.06	-93.96
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2=N[N-]N=N2)C1	REAL300024347796	0	33	-2.0	-87.36	297.48	-0.96	-88.32
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2=NN=N[N-]2)C1	REAL300024347796	1	33	-2.0	-87.39	297.53	-0.94	-88.33
O=C(CSC1=NNC(=O)[N-]1)[N-]OCC1=CC=C(C(F)(F)F)C=C1	REAL300024347800	0	32	-2.0	-92.39	323.01	2.39	-90.00
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C2=CC=C(Cl)C=C2)S1	REAL300024347809	0	30	-2.0	-91.80	323.31	1.38	-90.42
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(CC2=CC=CC=C2)=CS1	REAL300024347877	1	34	-2.0	-89.46	331.99	2.14	-87.32
O=C(CSC1=NNC(=O)[N-]1)NC1=C([O-])C(Cl)=CC(Cl)=C1Cl	REAL300024347881	0	26	-2.0	-86.35	306.78	0.45	-85.90
NS(=O)(=O)C1=CC=C([O-])C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024347897	1	31	-2.0	-91.65	308.02	-6.29	-97.94
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300024347907	1	38	-2.0	-92.17	363.62	-3.39	-95.56
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024347974	1	33	-2.0	-85.34	323.00	-2.27	-87.61
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300024347988	0	28	-2.0	-81.70	296.55	1.07	-80.63
CC1=CC(Br)=C([O-])C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024348017	1	29	-2.0	-85.91	296.44	0.10	-85.81
CC(C)(C)CC1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024348089	1	36	-2.0	-88.41	326.71	1.43	-86.98
CC(=O)NC1=C(C2=CC=CC=C2)N=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024349192	1	38	-2.0	-104.67	361.01	0.77	-103.90
CC(=O)C1=C(C2=CC=CC=C2)N=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024349201	1	36	-2.0	-88.21	347.33	1.93	-86.28
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(F)=CC(Cl)=C1[O-]	REAL300024349207	0	26	-2.0	-81.33	276.23	-0.61	-81.94
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2=N[N-]N=N2)C1	REAL300024349211	0	33	-2.0	-87.36	297.48	-0.96	-88.32
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2=NN=N[N-]2)C1	REAL300024349211	1	33	-2.0	-87.39	297.53	-0.94	-88.33
CC1=C(C2=CC=CC3=CC=CC=C32)N=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024349252	1	40	-2.0	-97.82	370.76	4.55	-93.27
CC1=CC=C(C2=NNC(=O)[N-]2)C=C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024349295	0	35	-2.0	-98.87	327.44	-1.62	-100.49
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2=N[N-]C(=O)O2)C1	REAL300024349296	0	34	-2.0	-91.07	309.03	-4.53	-95.60
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300024349384	0	34	-2.0	-84.22	305.64	-4.08	-88.30
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300024349384	1	34	-2.0	-84.23	305.71	-4.08	-88.31
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(C2=CC=CC=C2F)S1	REAL300024349399	1	31	-2.0	-97.17	318.17	2.04	-95.13
COC1=CC=CC=C1CO[N-]C(=O)CSC1=NNC(=O)[N-]1	REAL300024349570	0	33	-2.0	-102.01	310.95	0.73	-101.28
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2CCC2)=CS1	REAL300024349578	1	31	-2.0	-89.28	295.47	0.31	-88.97
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024349589	1	37	-2.0	-97.14	360.20	3.25	-93.89
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024349590	1	37	-2.0	-96.22	365.12	3.38	-92.84
CCOC(=O)C1=NN=C(C(CC(C)C)NC(=O)CSC2=NNC(=O)[N-]2)[N-]1	REAL300024349609	1	45	-2.0	-86.56	402.35	0.93	-85.63
CCOC(=O)C1=NC(C(CC(C)C)NC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024349609	1	45	-2.0	-86.30	402.07	0.93	-85.37
CCOC(=O)C1=N[N-]C(C(CC(C)C)NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024349609	1	45	-2.0	-86.39	402.14	0.93	-85.46
CCOC(=O)C1=N[N-]C(C2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=N1	REAL300024349661	1	43	-2.0	-89.28	382.05	2.12	-87.16
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=CC=C(Cl)N=C2S1	REAL300024349662	1	26	-2.0	-87.34	288.05	-1.28	-88.62
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1	REAL300024349681	1	38	-2.0	-82.23	348.66	-1.02	-83.25
CC1=CC=CC(C(=O)[N-]NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024349758	0	31	-2.0	-100.14	304.06	-2.34	-102.48
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024349760	0	33	-2.0	-93.58	327.85	1.70	-91.88
CC1=C(F)C=C2N=C([N-]C(=O)CSC3=NNC(=O)[N-]3)SC2=C1	REAL300024349822	1	30	-2.0	-92.54	305.16	1.32	-91.22
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC(Br)=C1[O-]	REAL300024349885	1	29	-2.0	-87.10	300.75	-0.53	-87.63
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C2(C3=CC=CC=C3)CC2)S1	REAL300024349905	0	37	-2.0	-98.58	354.85	2.53	-96.05
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1	REAL300024349942	0	30	-2.0	-92.78	326.98	1.36	-91.42
CCC(CC)(NC(=O)CSC1=NNC(=O)[N-]1)C1=N[N-]N=N1	REAL300024349956	0	35	-2.0	-79.59	303.30	-1.34	-80.93
CCC(CC)(NC(=O)CSC1=NNC(=O)[N-]1)C1=NN=N[N-]1	REAL300024349956	1	35	-2.0	-79.61	303.37	-1.32	-80.93
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2CC3CCC2C3)=CS1	REAL300024349963	1	38	-2.0	-90.42	332.29	1.79	-88.63
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(C2=CC=C(Cl)C=C2)S1	REAL300024349991	1	31	-2.0	-90.57	325.75	2.40	-88.17
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=C(Br)C=CC=C2S1	REAL300024350021	1	27	-2.0	-90.15	297.48	0.82	-89.33
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024350024	0	42	-2.0	-92.75	385.63	-0.76	-93.51
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2CCOCC2)=CS1	REAL300024350025	1	35	-2.0	-88.56	322.64	-0.89	-89.45
CC1=CC=CC(C2=CN=C([N-]C(=O)CSC3=NNC(=O)[N-]3)S2)=C1	REAL300024350040	1	34	-2.0	-94.48	330.43	2.54	-91.94
O=C(CSC1=NNC(=O)[N-]1)NC1=C([O-])C=C(Br)C=C1Cl	REAL300024350044	1	26	-2.0	-89.18	296.89	0.05	-89.13
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=C([O-])C=C1F	REAL300024350088	0	26	-2.0	-84.21	276.45	-0.71	-84.92
CC1=C2N=C([N-]C(=O)CSC3=NNC(=O)[N-]3)SC2=C(Cl)C=C1	REAL300024350096	1	30	-2.0	-91.44	313.76	1.38	-90.06
COCC1=CN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024350128	1	28	-2.0	-93.08	286.67	-1.95	-95.03
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(C2=NNC(=O)[N-]2)=C1	REAL300024350139	0	32	-2.0	-98.72	309.95	-2.46	-101.18
CNS(=O)(=O)C1=CC(NC(=O)CSC2=NNC(=O)[N-]2)=CC=C1[O-]	REAL300024350140	0	34	-2.0	-87.85	322.79	-4.47	-92.32
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=CC=CN=C2)=CS1	REAL300024350160	1	30	-2.0	-88.82	302.61	-0.28	-89.10
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(C2=CC=CN=C2)S1	REAL300024350163	1	30	-2.0	-92.81	304.06	0.12	-92.69
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(C2=CC=CC=N2)S1	REAL300024350164	1	30	-2.0	-96.22	306.06	0.21	-96.01
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=C(CSCC2)S1	REAL300024350219	1	29	-2.0	-88.30	293.45	0.08	-88.22
COCC1=C(C(=O)OC)SC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024350252	1	34	-2.0	-86.62	336.08	-1.93	-88.55
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=N[N-]C(=O)O2)CC1	REAL300024350274	1	34	-2.0	-91.13	309.04	-4.52	-95.65
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C([O-])C(F)=C1F	REAL300024350308	1	26	-2.0	-86.80	267.35	-1.18	-87.98
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024350312	0	38	-2.0	-94.83	367.92	-0.80	-95.63
CC(C)(C)C1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024350360	1	33	-2.0	-89.43	309.82	0.34	-89.09
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(C2CCOCC2)S1	REAL300024350425	1	35	-2.0	-93.76	327.09	-0.12	-93.88
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC([O-])=C1Br	REAL300024350506	1	26	-2.0	-85.51	273.56	-0.55	-86.06
COC1=CC=CC=C1C1=NN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024350539	0	34	-2.0	-101.67	333.89	0.46	-101.21
COC(=O)C(C)(C)C1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024350611	1	36	-2.0	-91.66	342.53	0.36	-91.30
O=C(CSC1=NNC(=O)[N-]1)NC1=C(C2=CC=CC=C2)[N-]NC1=O	REAL300024350659	0	33	-2.0	-95.98	312.29	-0.20	-96.18
CCC(=O)C1=CC=C([O-])C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024350690	0	34	-2.0	-93.56	317.65	0.07	-93.49
O=C(CSC1=NNC(=O)[N-]1)NNC(=O)C1=C([O-])C2=CC=CC=C2NC1=O	REAL300024350700	0	36	-2.0	-100.40	340.61	-1.45	-101.85
CN1C(=S)[N-]N=C1CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024350737	1	34	-2.0	-91.71	329.87	1.07	-90.64
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(CC(F)(F)F)=CS1	REAL300024350757	1	27	-2.0	-88.34	289.62	-0.30	-88.64
CCOC(=O)C1CCCC2=C1N=C([N-]C(=O)CSC1=NNC(=O)[N-]1)S2	REAL300024350798	1	40	-2.0	-93.01	367.76	2.06	-90.95
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C2CCOCC2)S1	REAL300024350824	0	34	-2.0	-95.65	322.90	-1.40	-97.05
CCOC(=O)C1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024350877	1	30	-2.0	-84.67	307.43	-0.67	-85.34
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C[N-]C(=O)C(F)(F)F)C1	REAL300024350923	1	38	-2.0	-86.95	348.86	-1.08	-88.03
CC(C)(O)C1=CN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024350970	1	31	-2.0	-92.65	302.05	-2.88	-95.53
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC(=O)C2=CC=CC=C2[N-]1	REAL300024350971	1	33	-2.0	-87.21	314.70	-1.31	-88.52
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(CCO)S1	REAL300024350990	1	28	-2.0	-91.89	285.91	-3.57	-95.46
CC1=CC=CC(CC2=CN=C([N-]C(=O)CSC3=NNC(=O)[N-]3)S2)=C1Cl	REAL300024351016	1	37	-2.0	-95.51	364.78	3.70	-91.81
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2=CC=CS2)=NS1	REAL300024351048	0	27	-2.0	-88.78	296.01	0.11	-88.67
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300024351076	0	29	-2.0	-82.89	313.19	-0.17	-83.06
COC(=O)C1=C(C(C)C)SC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024351091	1	36	-2.0	-92.83	345.25	0.85	-91.98
CNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024351102	1	34	-2.0	-91.59	330.40	-5.07	-96.66
CCN(CC)C1=CC=C2N=C([N-]C(=O)CSC3=NNC(=O)[N-]3)SC2=C1	REAL300024351123	1	41	-2.0	-98.34	373.64	2.90	-95.44
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300024354155	0	36	-2.0	-97.14	316.90	-0.18	-97.32
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300024354155	1	36	-2.0	-97.14	316.95	-0.18	-97.32
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=C(CCC3=C2C=CS3)S1	REAL300024354338	1	32	-2.0	-100.25	323.85	2.03	-98.22
CC(=O)C1=CC(F)=C([O-])C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024354374	0	31	-2.0	-91.96	303.54	-0.65	-92.61
COC1=CN=C(C(C)(C)NC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024354450	1	37	-2.0	-87.87	331.82	-2.79	-90.66
O=C(CSC1=NNC(=O)[N-]1)NCCC1=C(F)C=C([O-])C=C1F	REAL300024354478	1	32	-2.0	-85.98	313.51	-0.42	-86.40
CC1=C([O-])N=C(CCN(C)C(=O)CSC2=NNC(=O)[N-]2)NC1=O	REAL300024354497	1	37	-2.0	-96.30	338.46	-2.38	-98.68
COC(=O)C1=NC2=CC(NC(=O)CSC3=NNC(=O)[N-]3)=CC=C2[N-]1	REAL300024354540	1	34	-2.0	-87.92	327.71	-0.26	-88.18
O=C(CSC1=NNC(=O)[N-]1)NC1=NC=C(Cl)C=C1[O-]	REAL300024354546	0	25	-2.0	-84.57	267.20	-1.07	-85.64
COC1=CN=C(C2(NC(=O)CSC3=NNC(=O)[N-]3)CCCC2)[N-]C1=O	REAL300024354570	1	41	-2.0	-107.47	351.36	-0.24	-107.71
COC1=CN=C(CNC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024354646	1	31	-2.0	-87.96	297.75	-3.66	-91.62
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=CN2CCCCC2=N1	REAL300024354691	0	36	-2.0	-106.07	332.25	-1.04	-107.11
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(F)=C([O-])C=C1Cl	REAL300024354707	1	26	-2.0	-88.21	275.63	-0.68	-88.89
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=C(S1)C1=C(C=C2)SC=N1	REAL300024354755	1	29	-2.0	-97.91	309.71	0.00	-97.91
CCCC1=CC(=O)[N-]C(NNC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024354849	1	35	-2.0	-88.14	327.83	-0.22	-88.36
CN1C=C(C2=NSC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C=N1	REAL300024354853	0	30	-2.0	-89.36	308.81	-1.16	-90.52
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300024354861	0	30	-2.0	-82.26	304.66	0.19	-82.07
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300024354861	1	30	-2.0	-82.22	304.70	0.19	-82.03
COC1=CC=C2SC([N-]C(=O)CSC3=NNC(=O)[N-]3)=NC2=C1	REAL300024354880	1	31	-2.0	-91.80	305.84	-0.53	-92.33
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300024354893	0	29	-2.0	-88.75	305.64	-3.71	-92.46
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300024354893	1	29	-2.0	-88.69	305.70	-3.74	-92.43
COC1=CC=CC=C1OCC1=CSC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024355148	1	39	-2.0	-92.41	368.41	0.92	-91.49
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=CC(Cl)=C1[O-]	REAL300024355160	1	29	-2.0	-88.08	296.36	-0.65	-88.73
COC(=O)C1=CN=C(NC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300024355183	1	31	-2.0	-88.36	305.26	-0.91	-89.27
CC1=C(F)C=C2SC([N-]C(=O)CSC3=NNC(=O)[N-]3)=NC2=C1	REAL300024355201	1	30	-2.0	-86.70	303.06	0.89	-85.81
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(CC2CCOC2)=CS1	REAL300024355238	1	35	-2.0	-90.42	324.30	-0.37	-90.79
COCCC1=CN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024355239	1	31	-2.0	-91.33	308.16	-1.16	-92.49
O=C(CSC1=NNC(=O)[N-]1)[N-]OCCOC1=CC=CC=C1	REAL300024355252	0	33	-2.0	-99.76	314.20	1.18	-98.58
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(C2=CC=CC(F)=C2)S1	REAL300024355260	1	31	-2.0	-92.51	315.43	1.95	-90.56
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CC2=N[N-]N=N2)C1	REAL300024355309	0	33	-2.0	-92.21	304.83	-0.89	-93.10
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CC2=NN=N[N-]2)C1	REAL300024355309	1	33	-2.0	-92.29	304.89	-0.87	-93.16
CC(C)(C)OC(=O)NCCO[N-]C(=O)CSC1=NNC(=O)[N-]1	REAL300024355318	0	39	-2.0	-94.33	350.80	-1.81	-96.14
CC(C)(C)OC(=O)NCCCO[N-]C(=O)CSC1=NNC(=O)[N-]1	REAL300024355319	0	42	-2.0	-95.88	372.37	-1.08	-96.96
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300024355320	0	30	-2.0	-83.17	305.65	0.22	-82.95
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300024355320	1	30	-2.0	-83.18	305.69	0.23	-82.95
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300024355333	0	30	-2.0	-83.08	310.22	0.32	-82.76
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300024355333	1	30	-2.0	-83.01	310.26	0.34	-82.67
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CC1=N[N-]N=N1	REAL300024355335	0	36	-2.0	-98.12	305.89	0.03	-98.09
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CC1=NN=N[N-]1	REAL300024355335	1	36	-2.0	-98.11	305.94	0.03	-98.08
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=NN=N[N-]2)CC1	REAL300024355349	0	32	-2.0	-84.40	290.82	-1.30	-85.70
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=N[N-]N=N2)CC1	REAL300024355349	1	32	-2.0	-84.40	290.98	-1.30	-85.70
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(SC(F)(F)F)S1	REAL300024355407	0	24	-2.0	-86.96	289.80	-1.11	-88.07
CC(C)(C)OC(=O)CO[N-]C(=O)CSC1=NNC(=O)[N-]1	REAL300024355420	0	34	-2.0	-97.69	313.78	0.82	-96.87
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(C2(O)COC2)S1	REAL300024355424	1	30	-2.0	-90.47	299.04	-4.53	-95.00
N#CC1=CN(C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]C1=O	REAL300024355455	0	33	-2.0	-89.23	323.50	-3.05	-92.28
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=NC=CS1	REAL300024355484	0	25	-2.0	-94.11	273.06	-4.11	-98.22
O=C1[N-]C(SCC([O-])=NS2(=O)=CCOC3=CC=CC=C32)=NN1	REAL300024355524	0	32	-2.0	-105.38	310.25	-2.39	-107.77
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300024355551	0	35	-2.0	-84.97	310.33	-3.45	-88.42
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300024355551	1	35	-2.0	-85.01	310.39	-3.44	-88.45
CC1=C(C2=CC=CC=N2)SC([N-]C(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024355566	1	33	-2.0	-97.11	322.52	1.27	-95.84
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=C(F)C=CC=C2S1	REAL300024355580	1	27	-2.0	-92.66	282.82	0.26	-92.40
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(C2(O)CCC2)S1	REAL300024355589	1	32	-2.0	-92.52	308.26	-2.29	-94.81
CS(=O)(=NC(=O)CSC1=NNC(=O)[N-]1)C1=CC=C([O-])C=C1	REAL300024355597	1	31	-2.0	-93.52	305.61	-2.44	-95.96
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(N2C=CC(=O)[N-]2)C(F)=C1	REAL300024355688	0	33	-2.0	-105.23	322.39	-0.51	-105.74
CC1=NC2=C(S1)C1=C(C=C2)N=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024355697	1	32	-2.0	-93.73	331.62	0.70	-93.03
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(C(=O)C2CCOCC2)S1	REAL300024355815	1	37	-2.0	-88.50	348.23	-0.25	-88.75
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(C(=O)C2CCOC2)S1	REAL300024355828	1	34	-2.0	-88.87	329.11	-1.07	-89.94
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(C(=O)C2CCCOC2)S1	REAL300024355829	1	37	-2.0	-88.13	348.22	-0.24	-88.37
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=NNC2=CC=CC=C21	REAL300024355880	0	32	-2.0	-101.42	313.70	-2.50	-103.92
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300024355902	1	38	-2.0	-91.30	342.70	-0.59	-91.89
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1[N-]C(=O)C(F)(F)F	REAL300024355922	1	38	-2.0	-89.32	344.21	-1.00	-90.32
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(CC2CCCO2)S1	REAL300024355926	1	35	-2.0	-97.20	331.24	0.09	-97.11
C[C@@H]1CC2=C(SC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)[C@H](C)O1	REAL300024355937	1	35	-2.0	-94.15	327.21	-0.11	-94.26
CCN(CC1=NC(=O)C2=C(C=CS2)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024355986	0	36	-2.0	-99.36	344.49	0.80	-98.56
O=C(CSC1=NNC(=O)[N-]1)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300024356028	1	28	-2.0	-79.08	289.29	-2.47	-81.55
CC1=CC=C(CC2=CN=C([N-]C(=O)CSC3=NNC(=O)[N-]3)S2)C=C1	REAL300024356061	1	37	-2.0	-94.10	355.81	3.47	-90.63
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=C(F)C([O-])=C1F	REAL300024356093	0	26	-2.0	-89.41	267.26	-1.17	-90.58
CCC1=C2N=C([N-]C(=O)CSC3=NNC(=O)[N-]3)SC2=CC=C1	REAL300024356137	1	33	-2.0	-93.57	318.97	1.64	-91.93
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC(=O)C2=CC=CC=C2[N-]1	REAL300024356139	1	33	-2.0	-87.21	314.70	-1.31	-88.52
COC1=CC(OC)=C2SC([N-]C(=O)CSC3=NNC(=O)[N-]3)=NC2=C1	REAL300024356144	1	35	-2.0	-95.87	337.33	-0.81	-96.68
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=C(CCCC2=O)S1	REAL300024356157	1	30	-2.0	-105.47	297.85	-0.09	-105.56
CNC(=O)C1=CN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024356170	1	28	-2.0	-90.57	290.41	-3.44	-94.01
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=C(CC3=CC=CC=C32)S1	REAL300024356171	1	32	-2.0	-101.70	316.11	2.48	-99.22
CNC(=O)C1=CC=C([O-])C(NC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024356184	1	33	-2.0	-95.25	311.04	-2.92	-98.17
O=C(CSC1=NNC(=O)[N-]1)NC1=CC(C(F)(F)F)=C(F)C=C1[O-]	REAL300024356185	1	29	-2.0	-79.85	298.90	-0.19	-80.04
O=C(CSC1=NNC(=O)[N-]1)N(CC1=NC(=O)C2=C(C=CS2)[N-]1)C1CC1	REAL300024356237	0	37	-2.0	-99.73	351.51	1.17	-98.56
C[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024356248	1	38	-2.0	-79.88	339.01	-1.23	-81.11
CC1CC([N-]C(=O)C(F)(F)F)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024356322	1	38	-2.0	-79.88	338.98	-1.23	-81.11
CC1(C)CC2=C(SC([N-]C(=O)CSC3=NNC(=O)[N-]3)=N2)C(C)(C)O1	REAL300024356324	1	41	-2.0	-94.32	363.28	1.03	-93.29
CCOC(=O)C1=C(Cl)N=C(NC(=O)CSC2=NNC(=O)[N-]2)[N-]1	REAL300024356344	0	31	-2.0	-87.16	318.23	1.57	-85.59
CCOC(=O)C1=C(Cl)[N-]C(NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300024356344	1	31	-2.0	-87.72	319.11	1.59	-86.13
O=C(CSC1=NNC(=O)[N-]1)N[N-]C(=O)C1=NOC2=C1COCC2	REAL300024356368	0	33	-2.0	-97.94	316.56	-3.57	-101.51
CC1=CC=CC(CC2=CN=C([N-]C(=O)CSC3=NNC(=O)[N-]3)S2)=C1	REAL300024356392	1	37	-2.0	-94.07	355.81	3.46	-90.61
N#CC1=CC2=C(CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024356444	0	33	-2.0	-86.93	312.42	-0.64	-87.57
O=C(CSC1=NNC(=O)[N-]1)NC1=C([O-])C=C(F)C=C1F	REAL300024356464	0	26	-2.0	-88.27	272.28	-1.08	-89.35
O=C(CSC1=NNC(=O)[N-]1)NCCC([O-])(C(F)(F)F)C(F)(F)F	REAL300024356491	1	31	-2.0	-84.03	308.94	-2.24	-86.27
CCCOC1=C2N=C([N-]C(=O)CSC3=NNC(=O)[N-]3)SC2=CC=C1	REAL300024356580	1	37	-2.0	-96.94	349.18	1.18	-95.76
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=C(OC(F)(F)F)C=CC=C2S1	REAL300024356591	1	31	-2.0	-90.36	322.34	-0.05	-90.41
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=C(S1)C(=O)CCCC2	REAL300024356602	1	33	-2.0	-94.11	310.19	-0.03	-94.14
C[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)[C@H](C)[C@@H]1[N-]C(=O)C(F)(F)F	REAL300024356636	1	41	-2.0	-87.25	358.52	0.49	-86.76
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1[N-]C(=O)C(F)(F)F	REAL300024356780	1	38	-2.0	-78.38	342.04	-0.44	-78.82
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NN=C(C2CCC2)S1	REAL300024356842	0	30	-2.0	-95.26	296.01	-0.16	-95.42
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC(C2CC2)=C(Br)S1	REAL300024356846	1	28	-2.0	-86.02	301.90	0.71	-85.31
CC1=CN=C2SC([N-]C(=O)CSC3=NNC(=O)[N-]3)=NC2=C1	REAL300024356868	1	29	-2.0	-92.68	292.59	-1.06	-93.74
CC1=CC=C(C2=CN=C([N-]C(=O)CSC3=NNC(=O)[N-]3)S2)C=C1	REAL300024356869	1	34	-2.0	-94.28	330.42	2.56	-91.72
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=CC3=C(C=C2S1)OCO3	REAL300024356971	1	30	-2.0	-87.45	302.50	-1.19	-88.64
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2=CC(=O)[N-]O2)CC1	REAL300024356975	0	35	-2.0	-94.33	313.85	-0.34	-94.67
NC(=O)C1=CN=C([N-]C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024357037	1	25	-2.0	-89.60	268.48	-4.93	-94.53
O=C(CSC1=NNC(=O)[N-]1)NC1=C([O-])C=CC(Br)=C1F	REAL300024357038	1	26	-2.0	-89.54	286.44	-0.55	-90.09
O=C(CSC1=NNC(=O)[N-]1)NCC1=CC=C(NC(=O)C2=CC=CC=C2[O-])C=C1	REAL300024357081	1	43	-2.0	-104.02	391.29	2.31	-101.71
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC=C(C2CCCCO2)S1	REAL300024357100	1	35	-2.0	-94.56	327.88	0.11	-94.45
CN1N=C(C(=O)[N-]NC(=O)CSC2=NNC(=O)[N-]2)C2=CC=CC=C21	REAL300024357104	0	35	-2.0	-105.12	336.34	-1.20	-106.32
O=C(CSC1=NNC(=O)[N-]1)[N-]C1=NC2=CC=CN=C2S1	REAL300024357135	1	26	-2.0	-92.57	271.16	-1.71	-94.28
CN(CC1CCCN1C(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360061	1	42	-2.0	-94.69	367.50	-1.13	-95.82
CN(CC1CCCN1C(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360145	0	45	-2.0	-91.33	390.15	-0.77	-92.10
CN(CC1CCCN1C(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360173	0	44	-2.0	-102.14	367.85	1.15	-100.99
CN(CC1CCCN1C(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360207	0	43	-2.0	-99.04	372.31	-1.04	-100.08
CN(CC1CCCN1C(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360368	0	42	-2.0	-84.50	366.34	-1.63	-86.13
CN(CC1CCCN1C(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024360451	0	46	-2.0	-87.43	394.24	0.82	-86.61
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC=C1[O-]	REAL300024360699	1	45	-2.0	-118.27	383.77	2.75	-115.52
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300024361162	1	42	-2.0	-85.29	367.89	-0.83	-86.12
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]N=CC1=O	REAL300024361229	0	44	-2.0	-97.78	386.18	0.54	-97.24
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300024361286	0	43	-2.0	-97.96	371.79	-0.97	-98.93
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300024361318	0	42	-2.0	-84.56	367.55	-1.52	-86.08
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300024361521	0	45	-2.0	-105.92	389.33	-0.81	-106.73
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC=C1[O-]	REAL300024361639	0	45	-2.0	-116.45	387.30	0.85	-115.60
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300024361641	0	42	-2.0	-100.09	366.78	-0.89	-100.98
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300024361721	0	46	-2.0	-101.10	396.40	0.77	-100.33
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC([O-])=CS1	REAL300024361805	0	43	-2.0	-112.23	378.94	0.68	-111.55
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024361924	0	42	-2.0	-101.11	367.30	-0.90	-102.01
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024362801	0	41	-2.0	-91.99	380.15	-6.29	-98.28
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024362849	0	43	-2.0	-93.73	394.39	-4.68	-98.41
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024363189	0	43	-2.0	-104.72	391.21	-0.14	-104.86
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024363264	0	43	-2.0	-86.37	391.69	-5.05	-91.42
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=COC(=O)[N-]2)C1	REAL300024363275	1	39	-2.0	-86.79	363.76	-5.20	-91.99
CCN1[N-]C(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024363380	0	46	-2.0	-90.15	413.14	-1.57	-91.72
CN1N=C(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024363406	0	42	-2.0	-93.23	385.84	-4.00	-97.23
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=C[N-]N=CC2=O)C1	REAL300024363458	0	41	-2.0	-79.29	372.82	-2.05	-81.34
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC(=O)N[N-]2)C1	REAL300024363516	0	40	-2.0	-86.82	368.59	-4.22	-91.04
C[PH](C)([O-])C(=O)C(=O)NC1CC(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024363521	0	45	-2.0	-91.13	407.21	-3.42	-94.55
C[PH](C)([O-])C(=O)C(=O)NC1CC(CNC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024363521	1	45	-2.0	-91.13	407.21	-3.42	-94.55
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024363541	0	43	-2.0	-97.53	388.89	0.01	-97.52
CC1SC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024363560	0	42	-2.0	-93.05	395.12	-4.09	-97.14
CC1=C([O-])N=C(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024363560	1	42	-2.0	-93.05	395.12	-4.09	-97.14
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024363574	0	43	-2.0	-105.18	391.58	-0.16	-105.34
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024363595	0	43	-2.0	-118.92	388.91	0.80	-118.12
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)CC2=NC([O-])=CS2)C1	REAL300024363696	0	42	-2.0	-105.97	395.24	-4.35	-110.32
CC1=CC(=O)C(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024363834	0	44	-2.0	-90.39	397.30	-0.44	-90.83
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=NC(=O)N[N-]2)C1	REAL300024363844	0	39	-2.0	-86.74	363.19	-5.50	-92.24
CN1[N-]C(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024364010	0	43	-2.0	-89.36	391.33	-2.51	-91.87
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=NC=CC=C2[O-])C1	REAL300024364260	1	42	-2.0	-99.32	380.77	-0.80	-100.12
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024364349	0	41	-2.0	-91.80	380.16	-6.28	-98.08
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024364435	0	43	-2.0	-93.19	394.26	-4.63	-97.82
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=COC(=O)[N-]2)C1	REAL300024365219	1	39	-2.0	-88.77	363.76	-5.21	-93.98
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC=C([O-])C=C2F)C1	REAL300024365281	1	43	-2.0	-91.75	390.10	-0.61	-92.36
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300024365284	0	42	-2.0	-89.12	388.91	-1.46	-90.58
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=C[N-]N=CC2=O)C1	REAL300024365341	0	41	-2.0	-80.77	372.79	-2.06	-82.83
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC=CC(F)=C2[O-])C1	REAL300024365348	0	43	-2.0	-103.92	389.62	1.00	-102.92
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC=CC([O-])=C2F)C1	REAL300024365403	1	43	-2.0	-101.95	389.94	-0.63	-102.58
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300024365467	0	40	-2.0	-87.41	368.57	-4.23	-91.64
C[PH](C)([O-])C(=O)C(=O)NCC1CC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024365472	0	45	-2.0	-90.72	401.59	-3.43	-94.15
C[PH](C)([O-])C(=O)C(=O)NCC1CC(NC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024365472	1	45	-2.0	-90.72	401.59	-3.43	-94.15
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024365517	0	43	-2.0	-104.69	391.73	-0.20	-104.89
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300024365531	0	39	-2.0	-88.37	363.20	-5.51	-93.88
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024365535	0	43	-2.0	-99.88	388.94	-0.03	-99.91
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC(F)=CC=C2O)C1	REAL300024365631	0	43	-2.0	-95.62	389.84	0.99	-94.63
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC(F)=CC=C2[O-])C1	REAL300024365631	1	43	-2.0	-95.62	389.84	0.99	-94.63
CC1=CC=NC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300024365672	0	45	-2.0	-98.83	400.96	-0.07	-98.90
CC1=CC=NC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024365672	1	45	-2.0	-98.83	400.96	-0.07	-98.90
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)CC2=NC([O-])=CS2)C1	REAL300024365805	0	42	-2.0	-105.70	395.10	-4.30	-110.00
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=C(O)C=CC=C2F)C1	REAL300024365815	0	43	-2.0	-96.22	395.32	-0.73	-96.95
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=C([O-])C=CC=C2F)C1	REAL300024365815	1	43	-2.0	-96.22	395.32	-0.73	-96.95
CC1=CC(=O)C(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024365900	0	44	-2.0	-90.92	397.32	-0.42	-91.34
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024365915	0	43	-2.0	-117.30	388.72	0.87	-116.43
CN1N=C(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024365957	0	42	-2.0	-93.62	386.04	-4.05	-97.67
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC=C(F)C(O)=C2)C1	REAL300024366070	0	43	-2.0	-99.54	391.92	-0.69	-100.23
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300024366070	1	43	-2.0	-99.54	391.92	-0.69	-100.23
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024366115	0	41	-2.0	-91.60	381.69	-7.28	-98.88
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024366115	1	41	-2.0	-84.93	382.34	-6.53	-91.46
NC1=NC=C(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024366149	1	43	-2.0	-87.81	387.03	-3.35	-91.16
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC=NC=C2[O-])C1	REAL300024366224	1	42	-2.0	-98.30	378.70	-0.88	-99.18
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300024366229	0	39	-2.0	-92.10	363.33	-3.74	-95.84
CC1=C([O-])N=C(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024366244	1	42	-2.0	-95.59	395.15	-4.09	-99.68
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024366335	0	43	-2.0	-87.38	391.69	-5.05	-92.43
CCN1[N-]C(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024366373	0	46	-2.0	-90.65	413.12	-1.57	-92.22
CN1[N-]C(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024366389	0	43	-2.0	-90.06	391.40	-2.52	-92.58
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300024366469	1	43	-2.0	-93.43	391.89	-0.66	-94.09
CC1=CN=C(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024366524	1	45	-2.0	-100.83	402.21	-0.17	-101.00
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC([O-])=CS2)C1	REAL300024366536	0	40	-2.0	-96.59	377.83	-1.76	-98.35
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024366547	0	43	-2.0	-104.12	391.23	-0.15	-104.27
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024366641	0	41	-2.0	-83.69	382.36	-6.51	-90.20
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024366641	1	41	-2.0	-83.69	382.36	-6.51	-90.20
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024366740	0	39	-2.0	-91.04	363.32	-3.75	-94.79
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=NNC(=O)[N-]C1=O	REAL300024367860	0	40	-2.0	-90.70	363.10	-6.68	-97.38
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CN1C(=O)[N-]NC1=O	REAL300024367940	0	42	-2.0	-90.50	384.93	-4.64	-95.14
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CN([O-])C(=O)C=C1	REAL300024368493	0	42	-2.0	-101.09	381.89	-0.15	-101.24
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC(=O)NC([O-])=C1	REAL300024368604	0	42	-2.0	-84.16	382.35	-5.07	-89.23
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=COC(=O)[N-]1	REAL300024368615	1	38	-2.0	-86.29	346.72	-5.60	-91.89
CC([N-]C(=O)C(F)(F)C(F)(F)F)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024368702	0	37	-2.0	-78.35	357.45	-1.89	-80.24
CCN1[N-]C(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024368780	0	45	-2.0	-89.46	396.09	-1.96	-91.42
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=CC(=S)N1[O-]	REAL300024368800	0	42	-2.0	-121.11	382.74	1.50	-119.61
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=NN(C)C(=O)[N-]1	REAL300024368823	0	41	-2.0	-90.45	376.50	-4.03	-94.48
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=C[N-]N=CC1=O	REAL300024368905	0	40	-2.0	-79.36	355.77	-2.46	-81.82
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC(=O)N[N-]1	REAL300024368996	0	39	-2.0	-86.03	351.54	-4.61	-90.64
CC(NC(=O)CSC1=NC(=O)NN1)C(C)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300024369001	0	44	-2.0	-89.60	385.73	-3.58	-93.18
CC(NC(=O)CSC1=NC(=O)[N-]N1)C(C)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300024369001	1	44	-2.0	-89.60	385.73	-3.58	-93.18
CC(NC(=O)CCC1=NNC(=O)[N-]1)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369026	0	44	-2.0	-90.47	387.56	-4.41	-94.88
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=CN([O-])C1=O	REAL300024369029	0	42	-2.0	-98.05	379.46	-0.01	-98.06
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=NC(=O)C(C)S1	REAL300024369055	0	41	-2.0	-92.63	378.09	-4.49	-97.12
CC1=C([O-])N=C(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024369055	1	41	-2.0	-92.63	378.09	-4.49	-97.12
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC(=O)N([O-])C=C1	REAL300024369084	0	42	-2.0	-101.69	382.26	-0.17	-101.86
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=CC(=O)N1[O-]	REAL300024369114	0	42	-2.0	-117.69	371.63	0.46	-117.23
CC(NC(=O)C[N-]C(=O)C(F)(F)F)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024369228	0	41	-2.0	-83.81	389.37	-4.35	-88.16
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1=NC([O-])=CS1	REAL300024369271	0	41	-2.0	-103.95	385.77	-4.33	-108.28
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CN1N=CC(=O)[N-]C1=O	REAL300024369297	0	43	-2.0	-97.96	387.56	-6.13	-104.09
CC1=CC(=O)C(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024369492	0	43	-2.0	-90.02	380.26	-0.83	-90.85
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=NC(=O)N[N-]1	REAL300024369505	0	38	-2.0	-84.99	353.84	-5.54	-90.53
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CN=C(C=N[O-])S1	REAL300024369611	0	41	-2.0	-97.07	394.63	-2.64	-99.71
COC1=NC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300024369623	0	44	-2.0	-88.59	399.97	-6.23	-94.82
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300024369758	0	42	-2.0	-88.68	374.36	-2.90	-91.58
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=NC=CC=C1[O-]	REAL300024370010	1	41	-2.0	-98.92	363.59	-1.18	-100.10
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=NNC(=O)[N-]C1=O	REAL300024370129	0	40	-2.0	-90.70	363.10	-6.68	-97.38
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CN1C(=O)[N-]NC1=O	REAL300024370279	0	42	-2.0	-90.50	384.93	-4.64	-95.14
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC(Cl)=CC=C1[O-]	REAL300024371507	1	42	-2.0	-93.14	390.80	1.42	-91.72
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC([O-])=CC(C#N)=C1	REAL300024371531	1	43	-2.0	-84.08	389.38	-0.72	-84.80
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=COC(=O)[N-]1	REAL300024371628	1	38	-2.0	-86.29	346.72	-5.60	-91.89
CC(NC(=O)C[N-]C(=O)C(F)(F)F)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024371692	0	41	-2.0	-83.81	389.37	-4.35	-88.16
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=C([O-])C=C1F	REAL300024371713	1	42	-2.0	-88.51	380.75	-0.61	-89.12
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC([O-])=CC(=O)O1	REAL300024371719	0	41	-2.0	-85.87	379.57	-1.48	-87.35
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=C(C#N)C([O-])=C1	REAL300024371725	1	43	-2.0	-92.32	396.39	-0.27	-92.59
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CN1N=CC(=O)[N-]C1=O	REAL300024371742	0	43	-2.0	-97.96	387.56	-6.13	-104.09
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=C[N-]N=CC1=O	REAL300024371815	0	40	-2.0	-79.36	355.77	-2.46	-81.82
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=CC(F)=C1[O-]	REAL300024371823	0	42	-2.0	-104.19	372.59	0.59	-103.60
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=CC([O-])=C1F	REAL300024371907	1	42	-2.0	-101.56	372.91	-1.02	-102.58
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC(=O)N[N-]1	REAL300024372000	0	39	-2.0	-86.03	351.54	-4.61	-90.64
CC(NC(=O)CSC1=NC(=O)NN1)C(C)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300024372006	0	44	-2.0	-89.60	385.73	-3.58	-93.18
CC(NC(=O)CSC1=NC(=O)[N-]N1)C(C)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300024372006	1	44	-2.0	-89.60	385.73	-3.58	-93.18
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC(=O)N([O-])C=C1	REAL300024372089	0	42	-2.0	-101.69	382.26	-0.17	-101.86
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=NC(=O)N[N-]1	REAL300024372111	0	38	-2.0	-84.99	353.84	-5.54	-90.53
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=C(O)C=CC=C1Cl	REAL300024372113	0	42	-2.0	-91.97	395.47	-0.38	-92.35
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=C([O-])C=CC=C1Cl	REAL300024372113	1	42	-2.0	-91.97	395.47	-0.38	-92.35
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=CN([O-])C1=O	REAL300024372117	0	42	-2.0	-98.05	379.46	-0.01	-98.06
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=NC(N)=CC(=O)[N-]1	REAL300024372223	0	42	-2.0	-94.74	375.71	-5.17	-99.91
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300024372266	0	42	-2.0	-85.55	392.21	-0.12	-85.67
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC(F)=CC=C1[O-]	REAL300024372271	1	42	-2.0	-92.66	380.48	0.97	-91.69
CC1=CC=NC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300024372333	1	44	-2.0	-96.12	391.63	-0.13	-96.25
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=CC(=S)N1[O-]	REAL300024372436	0	42	-2.0	-121.11	382.74	1.50	-119.61
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=C([O-])C=C1Cl	REAL300024372569	1	42	-2.0	-87.35	388.72	-0.17	-87.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CC1=NC([O-])=CS1	REAL300024372580	0	41	-2.0	-103.95	385.77	-4.33	-108.28
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=C([O-])C=CC=C1F	REAL300024372595	1	42	-2.0	-92.57	385.97	-0.76	-93.33
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300024372596	0	44	-2.0	-91.19	401.05	-3.66	-94.85
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=C(F)C=C1[O-]	REAL300024372597	0	42	-2.0	-95.56	380.47	0.98	-94.58
CC1=CC=C(F)C([O-])=C1C(=O)NC(C)C(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024372627	0	45	-2.0	-96.53	405.42	-0.20	-96.73
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=CC(Cl)=C1[O-]	REAL300024372712	0	42	-2.0	-98.92	382.40	1.05	-97.87
CC1=CC(=O)C(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024372740	0	43	-2.0	-90.02	380.26	-0.83	-90.85
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=CC(=O)N1[O-]	REAL300024372762	0	42	-2.0	-117.69	371.63	0.46	-117.23
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=C(C#N)[N-]C1=O	REAL300024372785	0	42	-2.0	-80.27	389.23	-2.21	-82.48
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=NN(C)C(=O)[N-]1	REAL300024372826	0	41	-2.0	-90.45	376.50	-4.03	-94.48
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=C(F)C=CC(O)=C1O	REAL300024372871	0	43	-2.0	-93.59	396.71	-2.69	-96.28
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300024372871	1	43	-2.0	-93.59	396.71	-2.69	-96.28
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC(C#N)=CC=C1[O-]	REAL300024372880	0	43	-2.0	-90.31	394.90	1.31	-89.00
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300024372960	0	42	-2.0	-86.72	377.00	-2.90	-89.62
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=C(F)C(O)=C1	REAL300024373008	0	42	-2.0	-89.77	382.46	-0.65	-90.42
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=C(F)C([O-])=C1	REAL300024373008	1	42	-2.0	-89.77	382.46	-0.65	-90.42
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=C(Cl)C=C1O	REAL300024373026	0	42	-2.0	-95.37	390.79	1.43	-93.94
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=C(Cl)C=C1[O-]	REAL300024373026	1	42	-2.0	-95.37	390.79	1.43	-93.94
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024373089	0	40	-2.0	-88.62	364.67	-7.66	-96.28
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024373089	1	40	-2.0	-81.82	373.02	-6.54	-88.36
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CN=C(N)[N-]C1=O	REAL300024373142	1	42	-2.0	-85.37	377.67	-3.36	-88.73
COC1=NC(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300024373212	0	44	-2.0	-88.59	399.97	-6.23	-94.82
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=C(Cl)C([O-])=C1	REAL300024373256	0	42	-2.0	-86.03	392.26	-0.17	-86.20
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=NC=C1[O-]	REAL300024373263	1	41	-2.0	-95.35	369.36	-0.91	-96.26
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL300024373269	0	38	-2.0	-89.96	346.29	-4.12	-94.08
CC1=C([O-])N=C(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024373290	1	41	-2.0	-92.63	378.09	-4.49	-97.12
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C(=O)C1=CC=C([O-])C=C1	REAL300024373377	1	44	-2.0	-87.36	396.56	-0.85	-88.21
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CN=C(C=N[O-])S1	REAL300024373394	0	41	-2.0	-97.07	394.63	-2.64	-99.71
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC(=O)NC([O-])=C1	REAL300024373429	0	42	-2.0	-84.16	382.35	-5.07	-89.23
CCN1[N-]C(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024373483	0	45	-2.0	-89.46	396.09	-1.96	-91.42
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300024373500	0	42	-2.0	-88.68	374.36	-2.90	-91.58
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300024373629	1	42	-2.0	-89.08	382.42	-0.61	-89.69
CC1=C(CC(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N(C)[N-]1	REAL300024373689	0	48	-2.0	-94.52	422.72	-1.20	-95.72
CC1=CN=C(C(=O)NC(C)C(C)NC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300024373723	1	44	-2.0	-100.35	385.04	-0.55	-100.90
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC([O-])=CS1	REAL300024373741	0	39	-2.0	-93.49	368.48	-1.78	-95.27
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CN([O-])C(=O)C=C1	REAL300024373756	0	42	-2.0	-101.09	381.89	-0.15	-101.24
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024373911	0	40	-2.0	-88.62	364.67	-7.66	-96.28
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024373911	1	40	-2.0	-81.82	373.02	-6.54	-88.36
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300024374044	0	44	-2.0	-91.19	401.05	-3.66	-94.85
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CC(=O)[N-]O1	REAL300024374051	0	38	-2.0	-89.96	346.29	-4.12	-94.08
CC(NC(=O)CSC1=NNC(=O)[N-]1)C(C)NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300024374062	0	42	-2.0	-86.72	377.00	-2.90	-89.62
CN(C(=O)C1=COC(=O)[N-]1)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024374423	1	45	-2.0	-86.26	388.73	-1.57	-87.83
CN(C(=O)C1=CC(=O)N[N-]1)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024374501	0	46	-2.0	-86.96	393.10	-1.53	-88.49
CN(C(=O)C1=NC(=O)N[N-]1)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024374569	0	45	-2.0	-87.59	383.45	-1.75	-89.34
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCC(NC(=O)C2=COC(=O)[N-]2)CC1	REAL300024374925	1	45	-2.0	-86.50	391.19	-2.77	-89.27
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCC(NC(=O)C2=CC(=O)N[N-]2)CC1	REAL300024374977	0	46	-2.0	-85.67	391.59	-1.37	-87.04
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCC(NC(=O)C2=NC(=O)N[N-]2)CC1	REAL300024374987	0	45	-2.0	-92.55	378.26	-3.07	-95.62
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300024375132	0	45	-2.0	-96.26	378.41	-1.28	-97.54
CN(C(=O)C1=CC(=O)[N-]O1)C1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024375271	0	45	-2.0	-96.21	375.39	-1.45	-97.66
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300024375912	1	44	-2.0	-85.48	375.81	-1.73	-87.21
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300024375992	0	47	-2.0	-94.82	397.94	-1.65	-96.47
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]N=CC1=O	REAL300024376017	0	46	-2.0	-86.04	394.10	-0.29	-86.33
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300024376049	0	45	-2.0	-87.56	380.39	-1.82	-89.38
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300024376195	0	44	-2.0	-86.23	375.18	-2.50	-88.73
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300024376270	0	48	-2.0	-90.43	403.49	-0.10	-90.53
CN(CC(C)(C)CNC(=O)C1=NC=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024376507	1	47	-2.0	-100.45	395.14	1.38	-99.07
CN(CC(C)(C)CNC(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376934	1	44	-2.0	-89.49	378.28	-3.06	-92.55
CN(CC(C)(C)CNC(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024376995	0	46	-2.0	-82.77	387.32	0.10	-82.67
CN(CC(C)(C)CNC(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377048	0	45	-2.0	-88.15	383.10	-2.07	-90.22
CN(CC(C)(C)CNC(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377076	0	44	-2.0	-88.72	377.69	-3.33	-92.05
CN(CC(C)(C)CNC(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377259	0	47	-2.0	-93.89	400.34	-1.83	-95.72
CN(CC(C)(C)CNC(=O)C1=CC=NC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024377363	1	47	-2.0	-98.71	393.20	1.27	-97.44
CN(CC(C)(C)CNC(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377365	0	44	-2.0	-91.96	377.84	-1.58	-93.54
CN(CC(C)(C)CNC(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377439	0	48	-2.0	-90.69	405.92	-0.36	-91.05
CN(CC(C)(C)CNC(=O)C1=CC([O-])=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024377514	0	45	-2.0	-96.44	392.32	0.39	-96.05
CN(CC(C)(C)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300024377619	0	44	-2.0	-91.85	375.67	-1.74	-93.59
CC(CNC(=O)C1=NNC(=O)[N-]C1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378719	0	40	-2.0	-92.80	365.69	-5.33	-98.13
CC(CNC(=O)CN1C(=O)[N-]NC1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024378799	0	42	-2.0	-92.57	379.81	-3.68	-96.25
CC(CNC(=O)C1=CN([O-])C(=O)C=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379352	0	42	-2.0	-102.65	376.76	0.81	-101.84
CC(CNC(=O)C1=CC(=O)NC([O-])=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379463	0	42	-2.0	-92.80	377.23	-4.10	-96.90
CC(CNC(=O)C1=COC(=O)[N-]1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379474	1	38	-2.0	-97.49	349.30	-4.25	-101.74
CC(C[N-]C(=O)C(F)(F)C(F)(F)F)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379561	1	37	-2.0	-85.59	356.37	-1.04	-86.63
CCN1[N-]C(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024379639	0	45	-2.0	-93.99	398.67	-0.63	-94.62
CC(CNC(=O)C1=CC=CC(=S)N1[O-])N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379659	0	42	-2.0	-112.15	385.32	2.85	-109.30
CC(CNC(=O)C1=NN(C)C(=O)[N-]1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379682	0	41	-2.0	-96.24	371.45	-3.05	-99.29
CC(CNC(=O)C1=C[N-]N=CC1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379764	0	40	-2.0	-88.23	358.35	-1.10	-89.33
CC(CNC(=O)C1=CC(=O)N[N-]1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379855	0	39	-2.0	-91.64	354.12	-3.27	-94.91
CC(CNC(=O)C(=O)[PH](C)(C)[O-])N(C)C(=O)CSC1=NC(=O)NN1	REAL300024379860	0	44	-2.0	-95.16	388.31	-2.24	-97.40
CC(CNC(=O)C(=O)[PH](C)(C)[O-])N(C)C(=O)CSC1=NC(=O)[N-]N1	REAL300024379860	1	44	-2.0	-95.16	388.31	-2.24	-97.40
CC(CNC(=O)C1=CC=CN([O-])C1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379888	0	42	-2.0	-114.42	374.35	0.98	-113.44
CC(CNC(=O)C1=NC(=O)C(C)S1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379914	0	41	-2.0	-106.46	380.67	-3.14	-109.60
CC1=C([O-])N=C(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024379914	1	41	-2.0	-106.46	380.67	-3.14	-109.60
CC(CNC(=O)C1=CC(=O)N([O-])C=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379943	0	42	-2.0	-104.42	377.14	0.80	-103.62
CC(CNC(=O)C1=CC=CC(=O)N1[O-])N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024379973	0	42	-2.0	-111.00	374.21	1.82	-109.18
CC(CNC(=O)CC1=NC([O-])=CS1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380130	0	41	-2.0	-103.52	380.64	-3.34	-106.86
CC(CNC(=O)CN1N=CC(=O)[N-]C1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380156	0	43	-2.0	-95.84	390.14	-4.78	-100.62
CC1=CC(=O)C(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024380351	0	43	-2.0	-94.61	382.84	0.54	-94.07
CC(CNC(=O)C1=NC(=O)N[N-]1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380364	0	38	-2.0	-96.04	348.72	-4.55	-100.59
CC(CNC(=O)C1=CN=C(C=N[O-])S1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380470	0	41	-2.0	-102.78	389.51	-1.67	-104.45
COC1=NC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300024380482	0	44	-2.0	-92.73	394.85	-5.25	-97.98
CC(CNC(=O)C1=CC(=O)N(C)[N-]1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024380617	0	42	-2.0	-93.45	376.94	-1.56	-95.01
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=NC=CC=C1[O-]	REAL300024380869	1	41	-2.0	-99.31	363.29	0.75	-98.56
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=NNC(=O)[N-]C1=O	REAL300024380988	0	40	-2.0	-94.25	363.21	-5.12	-99.37
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CN1C(=O)[N-]NC1=O	REAL300024381138	0	42	-2.0	-94.45	379.79	-3.75	-98.20
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300024382366	1	42	-2.0	-98.20	386.18	1.17	-97.03
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300024382390	1	43	-2.0	-85.55	388.00	0.21	-85.34
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=COC(=O)[N-]1	REAL300024382487	1	38	-2.0	-88.12	346.37	-2.93	-91.05
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N-]C(=O)C(F)(F)F	REAL300024382551	0	41	-2.0	-87.94	384.25	-3.47	-91.41
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=C([O-])C=C1F	REAL300024382572	1	42	-2.0	-94.02	371.93	-0.08	-94.10
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC([O-])=CC(=O)O1	REAL300024382578	0	41	-2.0	-90.05	371.98	-0.63	-90.68
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300024382584	1	43	-2.0	-91.29	389.33	0.29	-91.00
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300024382601	0	43	-2.0	-96.08	390.11	-4.87	-100.95
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=C[N-]N=CC1=O	REAL300024382674	0	40	-2.0	-88.94	365.08	-1.54	-90.48
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=CC(F)=C1[O-]	REAL300024382682	0	42	-2.0	-107.33	375.92	0.71	-106.62
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=CC([O-])=C1F	REAL300024382766	1	42	-2.0	-107.25	376.17	-0.06	-107.31
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(=O)N[N-]1	REAL300024382859	0	39	-2.0	-88.65	351.71	-3.02	-91.67
CC(CNC(=O)CSC1=NC(=O)NN1)N(C)C(=O)C(=O)[PH](C)(C)[O-]	REAL300024382865	0	44	-2.0	-95.02	386.39	-1.87	-96.89
CC(CNC(=O)CSC1=NC(=O)[N-]N1)N(C)C(=O)C(=O)[PH](C)(C)[O-]	REAL300024382865	1	44	-2.0	-95.02	386.39	-1.87	-96.89
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(=O)N([O-])C=C1	REAL300024382948	0	42	-2.0	-105.95	373.54	0.39	-105.56
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=NC(=O)N[N-]1	REAL300024382970	0	38	-2.0	-87.75	346.48	-3.73	-91.48
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=C(O)C=CC=C1Cl	REAL300024382972	0	42	-2.0	-91.67	389.60	0.56	-91.11
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=C([O-])C=CC=C1Cl	REAL300024382972	1	42	-2.0	-91.67	389.60	0.56	-91.11
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=CN([O-])C1=O	REAL300024382976	0	42	-2.0	-117.92	381.09	0.58	-117.34
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(F)=CC=C1O	REAL300024383130	0	42	-2.0	-97.50	375.87	0.73	-96.77
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(F)=CC=C1[O-]	REAL300024383130	1	42	-2.0	-97.50	375.87	0.73	-96.77
CC1=CC=NC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300024383192	1	44	-2.0	-99.30	383.93	1.42	-97.88
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=CC(=S)N1[O-]	REAL300024383295	0	42	-2.0	-122.55	392.53	1.02	-121.53
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=C([O-])C=C1Cl	REAL300024383428	1	42	-2.0	-92.47	380.04	0.34	-92.13
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1=NC([O-])=CS1	REAL300024383439	0	41	-2.0	-111.26	380.64	-3.38	-114.64
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=C([O-])C=CC=C1F	REAL300024383454	0	42	-2.0	-92.62	381.06	0.15	-92.47
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300024383455	0	44	-2.0	-97.23	395.91	-2.77	-100.00
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=C(F)C=C1[O-]	REAL300024383456	0	42	-2.0	-102.08	371.65	1.40	-100.68
CC1=CC=C(F)C([O-])=C1C(=O)N(C)C(C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024383486	0	45	-2.0	-104.63	400.51	0.70	-103.93
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300024383571	0	42	-2.0	-101.57	385.72	1.19	-100.38
CC1=CC(=O)C(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024383599	0	43	-2.0	-91.39	380.07	0.75	-90.64
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=CC(=O)N1[O-]	REAL300024383621	0	42	-2.0	-116.41	381.43	0.40	-116.01
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300024383644	0	42	-2.0	-94.81	390.79	-1.72	-96.53
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=NN(C)C(=O)[N-]1	REAL300024383685	0	41	-2.0	-95.65	369.19	-2.88	-98.53
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=C(F)C=CC(O)=C1O	REAL300024383730	0	43	-2.0	-93.57	391.78	-1.79	-95.36
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300024383730	1	43	-2.0	-93.57	391.78	-1.79	-95.36
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300024383739	0	43	-2.0	-94.26	390.31	1.08	-93.18
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300024383819	0	42	-2.0	-91.02	382.01	-2.06	-93.08
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=C(F)C(O)=C1	REAL300024383867	0	42	-2.0	-95.03	373.33	-0.10	-95.13
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=C(F)C([O-])=C1	REAL300024383867	1	42	-2.0	-95.03	373.33	-0.10	-95.13
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=C(Cl)C=C1O	REAL300024383885	0	42	-2.0	-101.58	381.97	1.86	-99.72
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300024383885	1	42	-2.0	-101.58	381.97	1.86	-99.72
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024383948	0	40	-2.0	-91.85	364.46	-5.31	-97.16
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024383948	1	40	-2.0	-85.13	365.32	-4.60	-89.73
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CN=C(N)[N-]C1=O	REAL300024384001	1	42	-2.0	-98.27	379.24	-2.88	-101.15
COC1=NC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300024384071	0	44	-2.0	-94.01	389.69	-4.35	-98.36
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300024384115	0	42	-2.0	-91.07	383.13	0.39	-90.68
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=NC=C1[O-]	REAL300024384122	0	41	-2.0	-101.35	364.73	-1.35	-102.70
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300024384128	0	38	-2.0	-93.54	346.22	-2.92	-96.46
CC1=C([O-])N=C(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024384149	1	41	-2.0	-94.48	378.02	-2.19	-96.67
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300024384236	1	44	-2.0	-88.67	397.83	-0.06	-88.73
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CN=C(C=N[O-])S1	REAL300024384253	0	41	-2.0	-103.51	384.78	-2.16	-105.67
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(=O)NC([O-])=C1	REAL300024384288	0	42	-2.0	-88.55	381.82	-4.28	-92.83
CCN1[N-]C(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024384342	0	45	-2.0	-92.05	395.78	-0.38	-92.43
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(=O)N(C)[N-]1	REAL300024384359	0	42	-2.0	-91.30	374.05	-1.30	-92.60
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=C([O-])C(F)=C1	REAL300024384488	1	42	-2.0	-94.62	373.29	-0.06	-94.68
CC1=C(CC(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N(C)[N-]1	REAL300024384548	0	48	-2.0	-95.74	417.59	-0.24	-95.98
CC1=CN=C(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300024384582	1	44	-2.0	-101.33	385.02	1.36	-99.97
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC([O-])=CS1	REAL300024384600	0	39	-2.0	-101.53	358.58	-1.33	-102.86
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CN([O-])C(=O)C=C1	REAL300024384615	0	42	-2.0	-106.26	381.94	0.63	-105.63
CC(CNC(=O)C1=NC(=O)[N-]C(=O)N1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384770	0	40	-2.0	-100.54	367.25	-6.32	-106.86
CC(CNC(=O)C1=NC(=O)NC(=O)[N-]1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384770	1	40	-2.0	-91.92	367.88	-5.56	-97.48
CC(CNC(=O)CN1[N-]C(=O)C=CC1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384903	0	44	-2.0	-93.31	395.91	-2.68	-95.99
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384910	0	38	-2.0	-97.03	348.87	-2.78	-99.81
CC(CNC(=O)C1=CN([O-])C(=O)NC1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024384921	0	42	-2.0	-92.94	379.60	-1.55	-94.49
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=COC(=O)[N-]1	REAL300024385654	1	42	-2.0	-100.27	368.99	-3.07	-103.34
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300024385738	0	45	-2.0	-105.46	391.07	-1.86	-107.32
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=C[N-]N=CC1=O	REAL300024385766	0	44	-2.0	-85.15	381.23	-0.10	-85.25
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC(=O)N[N-]1	REAL300024385800	0	43	-2.0	-93.59	376.96	-2.24	-95.83
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=NC(=O)N[N-]1	REAL300024385961	0	42	-2.0	-100.51	368.41	-3.38	-103.89
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300024386044	0	46	-2.0	-101.82	396.55	-0.37	-102.19
CC1CCN(C(=O)C2=NC=CC=C2[O-])CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386292	1	45	-2.0	-105.13	386.08	1.57	-103.56
CC1CCN(C(=O)C2=COC(=O)[N-]2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386755	1	42	-2.0	-89.96	368.79	-2.00	-91.96
CC1CCN(C(=O)C2=C[N-]N=CC2=O)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386822	0	44	-2.0	-87.58	378.47	-0.45	-88.03
CC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386879	0	43	-2.0	-95.02	370.37	-1.92	-96.94
CC1CCN(C(=O)C2=NC(=O)N[N-]2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024386911	0	42	-2.0	-90.84	365.19	-2.52	-93.36
CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387114	0	45	-2.0	-102.82	388.06	-1.74	-104.56
CC1CCN(C(=O)C2=CC=NC=C2[O-])CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387232	0	45	-2.0	-113.13	388.67	-0.25	-113.38
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387234	0	42	-2.0	-98.79	365.36	-1.96	-100.75
CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387314	0	46	-2.0	-97.38	396.66	-0.34	-97.72
CC1CCN(C(=O)C2=CC([O-])=CS2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387398	0	43	-2.0	-108.21	381.01	-0.02	-108.23
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300024387517	0	42	-2.0	-103.12	368.56	-1.59	-104.71
CC(C)C(CCN(C)C(=O)C1=COC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387813	1	47	-2.0	-85.53	406.77	-0.76	-86.29
CC(C)C(CCN(C)C(=O)C1=CC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387879	0	48	-2.0	-87.96	408.27	-1.07	-89.03
CC(C)C(CCN(C)C(=O)C1=NC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024387936	0	47	-2.0	-86.57	403.07	-1.76	-88.33
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=COC(=O)[N-]1	REAL300024388246	1	47	-2.0	-96.08	409.51	-2.09	-98.17
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N[N-]1	REAL300024388292	0	48	-2.0	-91.94	414.60	-1.08	-93.02
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)N[N-]1	REAL300024388301	0	47	-2.0	-95.33	404.54	-2.27	-97.60
CC(C)C(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300024388420	0	47	-2.0	-96.20	405.15	-0.82	-97.02
CC(C)C(CCN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024388534	0	47	-2.0	-91.89	406.61	-0.74	-92.63
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=COC(=O)[N-]2)CCCCC1	REAL300024388902	1	45	-2.0	-91.25	385.25	-3.35	-94.60
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC(=O)N[N-]2)CCCCC1	REAL300024388969	0	46	-2.0	-93.09	390.03	-2.36	-95.45
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=NC(=O)N[N-]2)CCCCC1	REAL300024389023	0	45	-2.0	-92.19	384.62	-3.66	-95.85
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=COC(=O)[N-]2)CCCCC1	REAL300024389371	1	45	-2.0	-93.70	385.07	-3.37	-97.07
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=CC(=O)N[N-]2)CCCCC1	REAL300024389423	0	46	-2.0	-91.93	389.96	-2.35	-94.28
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=NC(=O)N[N-]2)CCCCC1	REAL300024389433	0	45	-2.0	-93.91	384.49	-3.68	-97.59
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300024389578	0	45	-2.0	-95.23	384.70	-1.86	-97.09
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCCCC1	REAL300024389710	0	45	-2.0	-97.15	384.83	-1.86	-99.01
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=COC(=O)[N-]1	REAL300024390349	1	44	-2.0	-88.85	392.78	-4.03	-92.88
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NN(C)C(=O)[N-]1	REAL300024390429	0	47	-2.0	-93.59	414.94	-2.87	-96.46
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[N-]N=CC1=O	REAL300024390454	0	46	-2.0	-80.14	401.84	-0.88	-81.02
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N[N-]1	REAL300024390486	0	45	-2.0	-87.48	397.62	-3.05	-90.53
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)N[N-]1	REAL300024390632	0	44	-2.0	-88.66	392.22	-4.34	-93.00
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300024390707	0	48	-2.0	-89.86	420.44	-1.34	-91.20
CCCCC(CNC(=O)C1=NC=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024390944	1	47	-2.0	-96.15	409.68	0.38	-95.77
CCCCC(CNC(=O)C1=COC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391371	1	44	-2.0	-91.25	392.80	-4.06	-95.31
CCCCC(CNC(=O)C1=C[N-]N=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391432	0	46	-2.0	-82.12	401.85	-0.90	-83.02
CCCCC(CNC(=O)C1=CC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391485	0	45	-2.0	-87.64	397.63	-3.08	-90.72
CCCCC(CNC(=O)C1=NC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391513	0	44	-2.0	-90.32	392.22	-4.36	-94.68
CCCCC(CNC(=O)C1=NN(C)C(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391696	0	47	-2.0	-93.04	414.95	-2.86	-95.90
CCCCC(CNC(=O)C1=CC=NC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391800	1	47	-2.0	-94.69	407.74	0.27	-94.42
CCCCC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391802	0	44	-2.0	-93.17	392.36	-2.59	-95.76
CCCCC(CNC(=O)C1=CC(=O)N(C)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391876	0	48	-2.0	-89.74	420.45	-1.36	-91.10
CCCCC(CNC(=O)C1=CC([O-])=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024391951	0	45	-2.0	-95.65	406.86	-0.62	-96.27
CCCCC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300024392056	0	44	-2.0	-92.67	392.36	-2.57	-95.24
O=C(CSC1=NNC(=O)[N-]1)N1CCCCCC1CNC(=O)C1=COC(=O)[N-]1	REAL300024392386	1	45	-2.0	-99.00	382.37	-1.80	-100.80
O=C(CSC1=NNC(=O)[N-]1)N1CCCCCC1CNC(=O)C1=CC(=O)N[N-]1	REAL300024392464	0	46	-2.0	-99.16	385.47	-1.14	-100.30
O=C(CSC1=NNC(=O)[N-]1)N1CCCCCC1CNC(=O)C1=NC(=O)N[N-]1	REAL300024392532	0	45	-2.0	-98.48	381.20	-1.95	-100.43
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCCN1C(=O)C1=COC(=O)[N-]1	REAL300024392852	1	45	-2.0	-90.70	376.24	-0.58	-91.28
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCCN1C(=O)C1=CC(=O)N[N-]1	REAL300024392902	0	46	-2.0	-95.05	383.70	-0.56	-95.61
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCCN1C(=O)C1=NC(=O)N[N-]1	REAL300024392910	0	45	-2.0	-92.54	375.90	-1.33	-93.87
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300024393027	0	45	-2.0	-100.63	379.36	-0.51	-101.14
O=C(CSC1=NNC(=O)[N-]1)N1CCCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300024393150	0	45	-2.0	-102.41	381.94	-0.33	-102.74
CC(NC(=O)C1=NNC(=O)[N-]C1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393865	0	41	-2.0	-92.66	380.57	-5.38	-98.04
CC(NC(=O)CN1C(=O)[N-]NC1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024393913	0	43	-2.0	-94.13	395.65	-3.60	-97.73
CC(NC(=O)C1=CN([O-])C(=O)C=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394253	0	43	-2.0	-105.71	392.60	0.90	-104.81
CC(NC(=O)C1=CC(=O)NC([O-])=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394328	0	43	-2.0	-87.82	393.07	-4.02	-91.84
CC(NC(=O)C1=COC(=O)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394339	1	39	-2.0	-88.54	365.14	-4.18	-92.72
CCN1[N-]C(C(=O)NC(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024394444	0	46	-2.0	-91.00	413.55	-0.65	-91.65
CC(NC(=O)C1=NN(C)C(=O)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394470	0	42	-2.0	-94.19	387.58	-3.09	-97.28
CC(NC(=O)C1=C[N-]N=CC1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394522	0	41	-2.0	-80.64	374.19	-1.03	-81.67
CC(NC(=O)C1=CC(=O)N[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394580	0	40	-2.0	-88.15	369.97	-3.19	-91.34
CC(NC(=O)C(=O)[PH](C)(C)[O-])C1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024394585	0	45	-2.0	-95.09	404.28	-2.15	-97.24
CC(NC(=O)C(=O)[PH](C)(C)[O-])C1CN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024394585	1	45	-2.0	-95.09	404.28	-2.15	-97.24
CC(NC(=O)C1=CC=CN([O-])C1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394605	0	43	-2.0	-99.46	390.10	1.04	-98.42
CC(NC(=O)C1=NC(=O)C(C)S1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394624	0	42	-2.0	-94.67	395.55	-3.18	-97.85
CC1=C([O-])N=C(C(=O)NC(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024394624	1	42	-2.0	-94.67	395.55	-3.18	-97.85
CC(NC(=O)C1=CC(=O)N([O-])C=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394638	0	43	-2.0	-106.23	391.86	0.66	-105.57
CC(NC(=O)C1=CC=CC(=O)N1[O-])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394659	0	43	-2.0	-119.26	389.09	1.77	-117.49
CC(NC(=O)CC1=NC([O-])=CS1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394760	0	42	-2.0	-107.21	395.52	-3.39	-110.60
CC1=CC(=O)C(C(=O)NC(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024394898	0	44	-2.0	-90.56	397.73	0.48	-90.08
CC(NC(=O)C1=NC(=O)N[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024394908	0	39	-2.0	-88.05	363.59	-4.59	-92.64
CC(NC(=O)C1=CC(=O)N(C)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024395074	0	43	-2.0	-90.68	392.78	-1.48	-92.16
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300024395324	1	42	-2.0	-100.97	378.36	0.21	-100.76
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024395413	0	41	-2.0	-94.78	378.94	-5.22	-100.00
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024395499	0	43	-2.0	-94.58	394.56	-3.83	-98.41
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024396283	1	39	-2.0	-91.72	361.88	-3.96	-95.68
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300024396345	1	43	-2.0	-92.29	390.38	-0.03	-92.32
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300024396348	0	42	-2.0	-88.91	387.66	-0.61	-89.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300024396396	1	45	-2.0	-98.05	405.89	-3.53	-101.58
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300024396405	0	41	-2.0	-91.60	370.01	-0.56	-92.16
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300024396412	0	43	-2.0	-107.21	390.97	1.48	-105.73
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300024396467	1	43	-2.0	-106.17	387.16	-0.08	-106.25
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024396531	0	40	-2.0	-88.90	368.07	-3.25	-92.15
CC(NC(=O)CSC1=NC(=O)NN1)C1CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300024396536	0	45	-2.0	-94.39	402.08	-2.27	-96.66
CC(NC(=O)CSC1=NC(=O)[N-]N1)C1CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300024396536	1	45	-2.0	-94.39	402.08	-2.27	-96.66
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024396581	0	43	-2.0	-106.14	388.22	0.40	-105.74
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024396595	0	39	-2.0	-91.31	361.44	-4.41	-95.72
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300024396599	0	43	-2.0	-116.11	396.57	0.71	-115.40
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300024396695	0	43	-2.0	-98.29	391.14	1.48	-96.81
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300024396695	1	43	-2.0	-98.29	391.14	1.48	-96.81
CC1=CC=NC(C(=O)N2CC(C(C)NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300024396736	0	45	-2.0	-103.53	399.68	1.12	-102.41
CC1=CC=NC(C(=O)N2CC(C(C)NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024396736	1	45	-2.0	-103.53	399.68	1.12	-102.41
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300024396869	0	42	-2.0	-110.35	396.48	-3.29	-113.64
CC1=CC(=O)C(C(=O)N2CC(C(C)NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024396964	0	44	-2.0	-93.85	396.14	0.65	-93.20
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024396979	0	43	-2.0	-123.39	386.14	1.45	-121.94
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300024397021	0	42	-2.0	-96.41	384.10	-3.08	-99.49
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300024397134	0	43	-2.0	-92.00	388.48	-0.11	-92.11
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300024397134	1	43	-2.0	-92.00	388.48	-0.11	-92.11
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024397179	0	41	-2.0	-85.54	381.08	-5.13	-90.67
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024397179	1	41	-2.0	-85.54	381.08	-5.13	-90.67
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CN=C(N)NC2=O)C1	REAL300024397213	0	43	-2.0	-99.70	394.71	-2.74	-102.44
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300024397213	1	43	-2.0	-99.70	394.71	-2.74	-102.44
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024397293	0	39	-2.0	-94.50	361.74	-3.05	-97.55
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(=O)C(C)S2)C1	REAL300024397308	0	42	-2.0	-98.72	393.34	-3.01	-101.73
CC1=C([O-])N=C(C(=O)N2CC(C(C)NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024397308	1	42	-2.0	-98.72	393.34	-3.01	-101.73
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024397399	0	43	-2.0	-90.11	387.86	-4.61	-94.72
CCN1[N-]C(C(=O)N2CC(C(C)NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024397437	0	46	-2.0	-92.57	412.62	-0.62	-93.19
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300024397453	0	43	-2.0	-91.60	390.81	-1.55	-93.15
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=C(O)C(F)=C2)C1	REAL300024397533	0	43	-2.0	-92.55	388.44	-0.07	-92.62
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300024397533	1	43	-2.0	-92.55	388.44	-0.07	-92.62
CC1=CN=C(C(=O)N2CC(C(C)NC(=O)CSC3=NNC(=O)[N-]3)C2)C(O)=C1	REAL300024397588	0	45	-2.0	-102.38	399.81	0.84	-101.54
CC1=CN=C(C(=O)N2CC(C(C)NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024397588	1	45	-2.0	-102.38	399.81	0.84	-101.54
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC([O-])=CS2)C1	REAL300024397600	0	40	-2.0	-99.69	374.91	-1.06	-100.75
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024397611	0	43	-2.0	-105.83	387.82	0.40	-105.43
CC(NC(=O)C1=NC(=O)[N-]C(=O)N1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024397705	0	41	-2.0	-91.69	382.13	-6.35	-98.04
CC(NC(=O)C1=NC(=O)NC(=O)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024397705	1	41	-2.0	-85.08	384.05	-5.58	-90.66
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024397804	0	39	-2.0	-92.69	364.71	-2.70	-95.39
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1CN2C(=O)C1=COC(=O)[N-]1	REAL300024398538	1	40	-2.0	-89.72	351.30	-1.32	-91.04
CN1N=C(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024398625	0	43	-2.0	-94.73	373.96	-1.08	-95.81
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1CN2C(=O)C1=C[N-]N=CC1=O	REAL300024398657	0	42	-2.0	-85.20	370.16	0.27	-84.93
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1CN2C(=O)C1=CC(=O)N[N-]1	REAL300024398691	0	41	-2.0	-88.51	356.21	-1.26	-89.77
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1CN2C(=O)C1=NC(=O)N[N-]1	REAL300024398860	0	40	-2.0	-89.48	351.04	-1.98	-91.46
CN1[N-]C(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024398947	0	44	-2.0	-91.10	379.04	0.46	-90.64
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1CN2C(=O)C1=NC=CC=C1[O-]	REAL300024399196	1	43	-2.0	-100.10	367.94	2.46	-97.64
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1CN2C(=O)C1=COC(=O)[N-]1	REAL300024399671	1	40	-2.0	-89.72	351.30	-1.32	-91.04
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1CN2C(=O)C1=C[N-]N=CC1=O	REAL300024399741	0	42	-2.0	-85.20	370.16	0.27	-84.93
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1CN2C(=O)C1=CC(=O)N[N-]1	REAL300024399800	0	41	-2.0	-88.51	356.21	-1.26	-89.77
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1CN2C(=O)C1=NC(=O)N[N-]1	REAL300024399834	0	40	-2.0	-89.48	351.04	-1.98	-91.46
CN1N=C(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024400048	0	43	-2.0	-94.73	373.96	-1.08	-95.81
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1CN2C(=O)C1=CC=NC=C1[O-]	REAL300024400178	0	43	-2.0	-101.95	370.06	0.53	-101.42
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300024400181	0	40	-2.0	-92.35	351.24	-1.13	-93.48
CN1[N-]C(C(=O)N2CC3CCC2CN3C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024400268	0	44	-2.0	-91.10	379.04	0.46	-90.64
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1CN2C(=O)C1=CC([O-])=CS1	REAL300024400358	0	41	-2.0	-98.15	362.65	0.58	-97.57
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300024400483	0	40	-2.0	-92.35	351.24	-1.13	-93.48
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=COC(=O)[N-]1	REAL300024401593	1	42	-2.0	-85.26	374.83	-3.30	-88.56
CN1N=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)[N-]C1=O	REAL300024401677	0	45	-2.0	-94.27	396.03	-2.19	-96.46
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=C[N-]N=CC1=O	REAL300024401705	0	44	-2.0	-86.71	382.94	-0.22	-86.93
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC(=O)N[N-]1	REAL300024401739	0	43	-2.0	-92.73	378.72	-2.39	-95.12
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=NC(=O)N[N-]1	REAL300024401900	0	42	-2.0	-85.91	373.38	-3.69	-89.60
CN1[N-]C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)=CC1=O	REAL300024401983	0	46	-2.0	-88.93	402.36	-0.58	-89.51
CC1(C)CN(C(=O)C2=NC=CC=C2[O-])CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024402231	1	45	-2.0	-100.80	388.94	1.17	-99.63
CC1(C)CN(C(=O)C2=COC(=O)[N-]2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024402694	1	42	-2.0	-95.86	372.84	-2.63	-98.49
CC1(C)CN(C(=O)C2=C[N-]N=CC2=O)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024402761	0	44	-2.0	-92.09	390.76	-0.89	-92.98
CC1(C)CN(C(=O)C2=CC(=O)N[N-]2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024402818	0	43	-2.0	-91.71	377.31	-2.54	-94.25
CC1(C)CN(C(=O)C2=NC(=O)N[N-]2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024402850	0	42	-2.0	-95.32	372.09	-3.37	-98.69
CN1N=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)[N-]C1=O	REAL300024403053	0	45	-2.0	-96.83	394.75	-2.36	-99.19
CC1(C)CN(C(=O)C2=CC=NC=C2[O-])CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024403171	0	45	-2.0	-97.70	389.69	-0.49	-98.19
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024403173	0	42	-2.0	-96.57	372.38	-2.33	-98.90
CN1[N-]C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)=CC1=O	REAL300024403253	0	46	-2.0	-93.71	400.05	-0.83	-94.54
CC1(C)CN(C(=O)C2=CC([O-])=CS2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024403337	0	43	-2.0	-99.77	384.65	-0.39	-100.16
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300024403456	0	42	-2.0	-90.92	373.46	-1.91	-92.83
O=C(CSC1=NNC(=O)[N-]1)N1CC2C(CNC(=O)C3=COC(=O)[N-]3)C2C1	REAL300024404172	1	40	-2.0	-90.18	362.05	-3.38	-93.56
CN1N=C(C(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)[N-]C1=O	REAL300024404259	0	43	-2.0	-97.72	384.13	-2.19	-99.91
O=C(CSC1=NNC(=O)[N-]1)N1CC2C(CNC(=O)C3=C[N-]N=CC3=O)C2C1	REAL300024404291	0	42	-2.0	-82.96	371.10	-0.23	-83.19
O=C(CSC1=NNC(=O)[N-]1)N1CC2C(CNC(=O)C3=CC(=O)N[N-]3)C2C1	REAL300024404325	0	41	-2.0	-91.01	366.88	-2.39	-93.40
O=C(CSC1=NNC(=O)[N-]1)N1CC2C(CNC(=O)C3=NC(=O)N[N-]3)C2C1	REAL300024404494	0	40	-2.0	-90.52	361.47	-3.68	-94.20
CN1[N-]C(C(=O)NCC2C3CN(C(=O)CSC4=NNC(=O)[N-]4)CC23)=CC1=O	REAL300024404581	0	44	-2.0	-93.79	389.69	-0.68	-94.47
O=C(CSC1=NNC(=O)[N-]1)NCC1C2CN(C(=O)C3=NC=CC=C3[O-])CC12	REAL300024404830	1	43	-2.0	-100.48	384.46	1.43	-99.05
O=C(CSC1=NNC(=O)[N-]1)NCC1C2CN(C(=O)C3=COC(=O)[N-]3)CC12	REAL300024405305	1	40	-2.0	-87.12	367.25	-2.39	-89.51
O=C(CSC1=NNC(=O)[N-]1)NCC1C2CN(C(=O)C3=C[N-]N=CC3=O)CC12	REAL300024405375	0	42	-2.0	-90.46	378.74	-1.00	-91.46
O=C(CSC1=NNC(=O)[N-]1)NCC1C2CN(C(=O)C3=CC(=O)N[N-]3)CC12	REAL300024405434	0	41	-2.0	-92.09	364.67	-2.56	-94.65
O=C(CSC1=NNC(=O)[N-]1)NCC1C2CN(C(=O)C3=NC(=O)N[N-]3)CC12	REAL300024405468	0	40	-2.0	-87.15	367.16	-3.01	-90.16
CN1N=C(C(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)[N-]C1=O	REAL300024405682	0	43	-2.0	-98.33	382.80	-2.37	-100.70
O=C(CSC1=NNC(=O)[N-]1)NCC1C2CN(C(=O)C3=CC=NC=C3[O-])CC12	REAL300024405812	0	43	-2.0	-103.72	373.81	0.10	-103.62
O=C(CSC1=NNC(=O)[N-]1)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)CC12	REAL300024405815	0	40	-2.0	-95.82	359.66	-2.43	-98.25
CN1[N-]C(C(=O)N2CC3C(CNC(=O)CSC4=NNC(=O)[N-]4)C3C2)=CC1=O	REAL300024405902	0	44	-2.0	-94.35	387.41	-0.86	-95.21
O=C(CSC1=NNC(=O)[N-]1)NCC1C2CN(C(=O)C3=CC([O-])=CS3)CC12	REAL300024405992	0	41	-2.0	-98.79	379.98	-0.51	-99.30
O=C(CSC1=NNC(=O)[N-]1)N1CC2C(CNC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300024406117	0	40	-2.0	-94.94	361.62	-1.90	-96.84
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=COC(=O)[N-]2)CCO1	REAL300024406414	1	43	-2.0	-91.88	380.25	-3.24	-95.12
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)N[N-]2)CCO1	REAL300024406480	0	44	-2.0	-88.12	384.73	-3.33	-91.45
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(=O)N[N-]2)CCO1	REAL300024406537	0	43	-2.0	-83.49	378.06	-4.39	-87.88
CC(NC(=O)C1=COC(=O)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024406847	1	43	-2.0	-87.25	381.51	-4.96	-92.21
CC(NC(=O)C1=CC(=O)N[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024406893	0	44	-2.0	-88.00	387.61	-3.50	-91.50
CC(NC(=O)C1=NC(=O)N[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024406902	0	43	-2.0	-86.84	380.93	-5.27	-92.11
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024407021	0	43	-2.0	-91.80	382.36	-3.02	-94.82
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300024407135	0	43	-2.0	-94.28	379.67	-3.34	-97.62
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=COC(=O)[N-]1	REAL300024408167	1	42	-2.0	-92.97	374.47	-2.50	-95.47
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300024408240	0	45	-2.0	-96.84	396.77	-2.20	-99.04
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=C[N-]N=CC1=O	REAL300024408265	0	44	-2.0	-89.98	393.46	-0.81	-90.79
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)N[N-]1	REAL300024408296	0	43	-2.0	-91.18	379.34	-2.38	-93.56
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NC(=O)N[N-]1	REAL300024408433	0	42	-2.0	-92.68	374.39	-3.10	-95.78
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300024408500	0	46	-2.0	-94.30	400.82	-0.80	-95.10
CC1CC(CNC(=O)C2=NC=CC=C2[O-])CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024408748	1	45	-2.0	-99.01	394.55	0.89	-98.12
CC1CC(CNC(=O)C2=COC(=O)[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409211	1	42	-2.0	-92.67	378.20	-3.61	-96.28
CC1CC(CNC(=O)C2=C[N-]N=CC2=O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409278	0	44	-2.0	-83.46	387.25	-0.46	-83.92
CC1CC(CNC(=O)C2=CC(=O)N[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409335	0	43	-2.0	-90.14	383.03	-2.61	-92.75
CC1CC(CNC(=O)C2=NC(=O)N[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409367	0	42	-2.0	-92.74	377.09	-3.86	-96.60
CC1CC(CNC(=O)C2=NN(C)C(=O)[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409570	0	45	-2.0	-95.87	400.05	-2.41	-98.28
CC1CC(CNC(=O)C2=CC=NC=C2[O-])CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409688	1	45	-2.0	-98.80	393.14	0.73	-98.07
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409690	0	42	-2.0	-95.72	377.77	-2.11	-97.83
CC1CC(CNC(=O)C2=CC(=O)N(C)[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409770	0	46	-2.0	-92.27	405.54	-0.90	-93.17
CC1CC(CNC(=O)C2=CC([O-])=CS2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024409854	0	43	-2.0	-99.02	391.73	-0.10	-99.12
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300024409959	0	42	-2.0	-96.48	374.50	-2.30	-98.78
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C2=COC(=O)[N-]2)C1	REAL300024410660	1	42	-2.0	-85.77	373.10	-4.18	-89.95
CN1N=C(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024410744	0	45	-2.0	-96.64	395.25	-3.00	-99.64
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C2=C[N-]N=CC2=O)C1	REAL300024410772	0	44	-2.0	-79.11	386.58	-1.47	-80.58
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C2=CC(=O)N[N-]2)C1	REAL300024410806	0	43	-2.0	-87.37	377.93	-3.19	-90.56
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C2=NC(=O)N[N-]2)C1	REAL300024410967	0	42	-2.0	-86.29	372.52	-4.50	-90.79
CN1[N-]C(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024411050	0	46	-2.0	-90.13	400.74	-1.48	-91.61
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C2=NC=CC=C2[O-])C1	REAL300024411298	1	45	-2.0	-100.78	389.98	0.23	-100.55
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C2=COC(=O)[N-]2)C1	REAL300024411761	1	42	-2.0	-85.77	373.10	-4.18	-89.95
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C2=C[N-]N=CC2=O)C1	REAL300024411828	0	44	-2.0	-79.11	386.58	-1.47	-80.58
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C2=CC(=O)N[N-]2)C1	REAL300024411885	0	43	-2.0	-87.37	377.93	-3.19	-90.56
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C2=NC(=O)N[N-]2)C1	REAL300024411917	0	42	-2.0	-86.29	372.52	-4.50	-90.79
CN1N=C(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024412120	0	45	-2.0	-96.64	395.25	-3.00	-99.64
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C2=CC=NC=C2[O-])C1	REAL300024412238	1	45	-2.0	-101.89	388.03	0.14	-101.75
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024412240	0	42	-2.0	-91.24	372.67	-2.71	-93.95
CN1[N-]C(C(=O)NC2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024412320	0	46	-2.0	-90.13	400.74	-1.48	-91.61
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C2=CC([O-])=CS2)C1	REAL300024412404	0	43	-2.0	-98.15	387.15	-0.73	-98.88
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024412523	0	42	-2.0	-91.24	372.67	-2.71	-93.95
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CN(C(=O)C3=COC(=O)[N-]3)C2)C1	REAL300024412866	1	43	-2.0	-95.89	379.05	-1.65	-97.54
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CN(C(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300024412948	0	44	-2.0	-99.40	383.89	-1.08	-100.48
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300024413019	0	43	-2.0	-97.21	378.63	-2.10	-99.31
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCCN(C(=O)C1=COC(=O)[N-]1)C2	REAL300024413388	1	43	-2.0	-87.96	376.67	-0.86	-88.82
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300024413442	0	44	-2.0	-104.19	382.37	-0.91	-105.10
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCCN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300024413455	0	43	-2.0	-104.73	377.59	-1.53	-106.26
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300024413604	0	43	-2.0	-95.02	376.47	-0.83	-95.85
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300024413750	0	43	-2.0	-101.43	378.92	-0.72	-102.15
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024414920	0	41	-2.0	-91.94	380.12	-6.29	-98.23
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024414968	0	43	-2.0	-93.50	394.19	-4.63	-98.13
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@@H](NC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024415308	0	43	-2.0	-104.70	391.16	-0.13	-104.83
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@@H](NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024415383	0	43	-2.0	-86.39	391.71	-5.05	-91.44
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C2=COC(=O)[N-]2)C1	REAL300024415394	1	39	-2.0	-86.81	363.76	-5.20	-92.01
CCN1[N-]C(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024415499	0	46	-2.0	-90.17	413.13	-1.58	-91.75
CN1N=C(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024415525	0	42	-2.0	-93.14	385.81	-4.01	-97.15
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C2=C[N-]N=CC2=O)C1	REAL300024415577	0	41	-2.0	-79.22	372.74	-2.04	-81.26
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)N[N-]2)C1	REAL300024415635	0	40	-2.0	-86.78	368.53	-4.22	-91.00
C[PH](C)([O-])C(=O)C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024415640	0	45	-2.0	-91.24	407.16	-3.37	-94.61
C[PH](C)([O-])C(=O)C(=O)N[C@H]1C[C@H](CNC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024415640	1	45	-2.0	-91.24	407.16	-3.37	-94.61
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@@H](NC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024415660	0	43	-2.0	-97.50	388.76	0.02	-97.48
CC1SC(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024415679	0	42	-2.0	-93.05	395.35	-4.10	-97.15
CC1=C([O-])N=C(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024415679	1	42	-2.0	-93.05	395.35	-4.10	-97.15
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@@H](NC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024415693	0	43	-2.0	-105.13	391.54	-0.15	-105.28
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@@H](NC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024415714	0	43	-2.0	-119.39	388.60	0.85	-118.54
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@@H](NC(=O)CC2=NC([O-])=CS2)C1	REAL300024415815	0	42	-2.0	-106.81	395.11	-4.31	-111.12
CC1=CC(=O)C(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024415953	0	44	-2.0	-90.38	397.29	-0.44	-90.82
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C2=NC(=O)N[N-]2)C1	REAL300024415963	0	39	-2.0	-86.75	363.19	-5.50	-92.25
CN1[N-]C(C(=O)N[C@H]2C[C@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024416129	0	43	-2.0	-89.30	391.28	-2.51	-91.81
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=NC=CC=C2[O-])C1	REAL300024416379	1	42	-2.0	-98.85	380.63	-0.77	-99.62
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024416468	0	41	-2.0	-91.77	380.15	-6.28	-98.05
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024416554	0	43	-2.0	-92.85	394.21	-4.62	-97.47
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=COC(=O)[N-]2)C1	REAL300024417338	1	39	-2.0	-88.60	363.69	-5.21	-93.81
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=CC=C([O-])C=C2F)C1	REAL300024417400	1	43	-2.0	-91.71	390.03	-0.60	-92.31
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300024417403	0	42	-2.0	-89.02	388.84	-1.46	-90.48
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=C[N-]N=CC2=O)C1	REAL300024417460	0	41	-2.0	-80.72	372.74	-2.06	-82.78
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=CC=CC(F)=C2[O-])C1	REAL300024417467	0	43	-2.0	-103.89	389.57	1.00	-102.89
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=CC=CC([O-])=C2F)C1	REAL300024417522	1	43	-2.0	-101.96	389.90	-0.63	-102.59
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300024417586	0	40	-2.0	-87.43	368.53	-4.23	-91.66
C[PH](C)([O-])C(=O)C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024417591	0	45	-2.0	-91.53	401.51	-3.40	-94.93
C[PH](C)([O-])C(=O)C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024417591	1	45	-2.0	-91.53	401.51	-3.40	-94.93
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024417636	0	43	-2.0	-104.77	391.59	-0.16	-104.93
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300024417650	0	39	-2.0	-88.22	363.14	-5.51	-93.73
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024417654	0	43	-2.0	-100.81	388.80	0.03	-100.78
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=CC(F)=CC=C2O)C1	REAL300024417750	0	43	-2.0	-95.63	389.81	1.00	-94.63
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=CC(F)=CC=C2[O-])C1	REAL300024417750	1	43	-2.0	-95.63	389.81	1.00	-94.63
CC1=CC=NC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300024417791	0	45	-2.0	-98.75	400.90	-0.07	-98.82
CC1=CC=NC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024417791	1	45	-2.0	-98.75	400.90	-0.07	-98.82
O=C(CC1=NC([O-])=CS1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024417924	0	42	-2.0	-105.69	395.05	-4.30	-109.99
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=C(O)C=CC=C2F)C1	REAL300024417934	0	43	-2.0	-94.45	395.25	-0.73	-95.18
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=C([O-])C=CC=C2F)C1	REAL300024417934	1	43	-2.0	-94.45	395.25	-0.73	-95.18
CC1=CC(=O)C(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024418019	0	44	-2.0	-90.81	397.29	-0.42	-91.23
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024418034	0	43	-2.0	-117.35	388.61	0.86	-116.49
CN1N=C(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024418076	0	42	-2.0	-93.51	385.77	-4.01	-97.52
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300024418189	1	43	-2.0	-99.24	391.79	-0.64	-99.88
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024418234	0	41	-2.0	-84.90	382.30	-6.52	-91.42
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024418234	1	41	-2.0	-84.90	382.30	-6.52	-91.42
NC1=NC=C(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N1	REAL300024418268	0	43	-2.0	-87.71	386.95	-3.35	-91.06
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CC(CCCNC(=O)C1=CC=CC([O-])=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422055	1	45	-2.0	-102.18	405.09	-0.16	-102.34
CC(CCCNC(=O)C1=CC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422115	0	42	-2.0	-89.04	383.73	-3.77	-92.81
CC(CCCNC(=O)C(=O)[PH](C)(C)[O-])NC(=O)CSC1=NC(=O)NN1	REAL300024422120	0	47	-2.0	-94.04	417.91	-2.75	-96.79
CC(CCCNC(=O)C(=O)[PH](C)(C)[O-])NC(=O)CSC1=NC(=O)[N-]N1	REAL300024422120	1	47	-2.0	-94.04	417.91	-2.75	-96.79
CC(CCCNC(=O)C1=CC(=O)N([O-])C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422165	0	45	-2.0	-105.54	406.74	0.30	-105.24
CC(CCCNC(=O)C1=NC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422179	0	41	-2.0	-90.52	378.32	-5.05	-95.57
CC(CCCNC(=O)C1=CC=CN([O-])C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422182	0	45	-2.0	-104.33	403.96	0.48	-103.85
CC(CCCNC(=O)C1=NC(N)=CC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422252	0	45	-2.0	-96.52	407.89	-4.32	-100.84
CC(CCCNC(=O)C1=CC(F)=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422275	1	45	-2.0	-96.38	404.96	1.46	-94.92
CC1=CC=NC(C(=O)NCCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300024422315	1	47	-2.0	-99.73	416.10	0.38	-99.35
CC(CCCNC(=O)C1=C([O-])C=CC=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422447	1	45	-2.0	-97.25	410.45	-0.26	-97.51
CC(CCCNC(=O)C1=CC=C(F)C=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422448	0	45	-2.0	-98.82	404.95	1.47	-97.35
CC1=CC(=O)C(C(=O)NCCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024422529	0	46	-2.0	-92.24	412.45	0.04	-92.20
CC(CCCNC(=O)C1=CC=CC(=O)N1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422543	0	45	-2.0	-117.04	403.81	1.32	-115.72
CC(CCCNC(=O)C1=NN(C)C(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422584	0	44	-2.0	-94.86	400.98	-3.55	-98.41
CC(CCCNC(=O)C1=CC=C(F)C([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422691	1	45	-2.0	-95.76	406.93	-0.18	-95.94
CC(CCCNC(=O)C1=NC(=O)[N-]C(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422733	0	43	-2.0	-86.83	397.50	-6.04	-92.87
CC(CCCNC(=O)C1=NC(=O)NC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422733	1	43	-2.0	-86.83	397.50	-6.04	-92.87
CC(CCCNC(=O)C1=CN=C(N)NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422765	0	45	-2.0	-90.42	402.17	-2.89	-93.31
CC(CCCNC(=O)C1=CN=C(N)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422765	1	45	-2.0	-90.42	402.17	-2.89	-93.31
CC(CCCNC(=O)C1=CC=NC=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422833	0	44	-2.0	-98.68	393.84	-0.42	-99.10
CC(CCCNC(=O)C1=CC=NC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422833	1	44	-2.0	-98.68	393.84	-0.42	-99.10
CC(CCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422838	0	41	-2.0	-93.67	378.47	-3.28	-96.95
CC(CCCNC(=O)C1=CC(=O)NC([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422936	0	45	-2.0	-88.95	406.83	-4.59	-93.54
CCN1[N-]C(C(=O)NCCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024422972	0	48	-2.0	-91.97	428.27	-1.12	-93.09
CC(CCCNC(=O)C1=CC(=O)N(C)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024422987	0	45	-2.0	-91.40	406.55	-2.05	-93.45
CC(CCCNC(=O)C1=CC=C(O)C(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024423065	0	45	-2.0	-93.95	406.90	-0.15	-94.10
CC(CCCNC(=O)C1=CC=C([O-])C(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024423065	1	45	-2.0	-93.95	406.90	-0.15	-94.10
CC1=CN=C(C(=O)NCCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1	REAL300024423116	0	47	-2.0	-101.14	417.23	0.33	-100.81
CC1=CN=C(C(=O)NCCCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300024423116	1	47	-2.0	-101.14	417.23	0.33	-100.81
CC(CCCNC(=O)C1=CC([O-])=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024423127	0	42	-2.0	-97.49	392.96	-1.29	-98.78
CC(CCCNC(=O)C1=CN([O-])C(=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024423138	0	45	-2.0	-104.60	406.37	0.31	-104.29
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024423229	0	43	-2.0	-85.13	397.50	-6.06	-91.19
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024423229	1	43	-2.0	-85.13	397.50	-6.06	-91.19
CC(CCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300024423317	0	41	-2.0	-92.73	378.47	-3.26	-95.99
CN(CCOCCNC(=O)C1=COC(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024423924	0	42	-2.0	-86.39	388.60	-5.01	-91.40
CN(CCOCCNC(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024423924	1	42	-2.0	-86.39	388.60	-5.01	-91.40
CN(CCOCCNC(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024424015	0	44	-2.0	-79.62	397.65	-1.86	-81.48
CN(CCOCCNC(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024424044	0	43	-2.0	-87.00	393.43	-4.02	-91.02
CN(CCOCCNC(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024424165	0	42	-2.0	-86.38	386.82	-5.23	-91.61
CN(CCOCCNC(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024424224	0	46	-2.0	-89.74	416.24	-2.31	-92.05
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC=C1[O-]	REAL300024424438	1	45	-2.0	-99.80	401.55	0.04	-99.76
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300024424793	1	42	-2.0	-90.86	384.62	-3.63	-94.49
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]N=CC1=O	REAL300024424846	0	44	-2.0	-87.80	404.40	-2.29	-90.09
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300024424895	0	43	-2.0	-100.54	389.42	-3.03	-103.57
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300024424916	0	42	-2.0	-97.38	384.21	-3.71	-101.09
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC=C1[O-]	REAL300024425158	0	45	-2.0	-98.85	402.64	-2.01	-100.86
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300024425160	0	42	-2.0	-94.10	384.46	-3.60	-97.70
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300024425224	0	46	-2.0	-91.69	412.29	-1.99	-93.68
CN(CCOCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024425376	0	42	-2.0	-90.80	388.17	-3.53	-94.33
CC(C)[C@@H](CCNC(=O)C1=COC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024426056	1	44	-2.0	-87.44	387.76	-4.45	-91.89
CC(C)[C@@H](CCNC(=O)C1=NN(C)C(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024426136	0	47	-2.0	-96.78	409.84	-3.25	-100.03
CC(C)[C@@H](CCNC(=O)C1=C[N-]N=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024426161	0	46	-2.0	-80.88	396.82	-1.30	-82.18
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CC(C)[C@@H](CCNC(=O)C1=NC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024426339	0	44	-2.0	-88.18	387.19	-4.75	-92.93
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CN1[N-]C(C(=O)NCCCOCCNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024429621	0	46	-2.0	-90.41	420.75	-3.74	-94.15
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CN(C(=O)C1=COC(=O)[N-]1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024430474	1	42	-2.0	-87.24	377.23	-1.60	-88.84
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CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C1=CC=NC=C1[O-])C1CC1	REAL300024432052	1	45	-2.0	-95.59	394.00	1.51	-94.08
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CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C1=CC(=O)N(C)[N-]1)C1CC1	REAL300024432134	0	46	-2.0	-93.07	406.72	-0.13	-93.20
CN(C(=O)CSC1=NNC(=O)[N-]1)C(CNC(=O)C1=CC([O-])=CS1)C1CC1	REAL300024432218	0	43	-2.0	-97.62	393.37	0.63	-96.99
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024432337	0	42	-2.0	-92.90	377.10	-1.48	-94.38
CC(CN(C)C(=O)C1=NNC(=O)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024433439	0	40	-2.0	-101.43	363.26	-4.85	-106.28
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CC(CN(C)C(=O)C1=CC(=O)NC([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434183	0	42	-2.0	-95.75	382.07	-4.02	-99.77
CC(CN(C)C(=O)C1=COC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434194	1	38	-2.0	-93.82	346.34	-2.66	-96.48
CCN1[N-]C(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024434359	0	45	-2.0	-98.73	395.74	-0.10	-98.83
CC(CN(C)C(=O)C1=CC=CC(=S)N1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434379	0	42	-2.0	-135.43	391.98	1.28	-134.15
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CC(CN(C)C(=O)C1=C[N-]N=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434484	0	40	-2.0	-88.02	364.23	-1.10	-89.12
CC(CN(C)C(=O)C1=CC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434575	0	39	-2.0	-95.07	351.73	-2.76	-97.83
CC(CN(C)C(=O)C(=O)[PH](C)(C)[O-])NC(=O)CSC1=NC(=O)NN1	REAL300024434580	0	44	-2.0	-99.78	385.02	-1.53	-101.31
CC(CN(C)C(=O)C(=O)[PH](C)(C)[O-])NC(=O)CSC1=NC(=O)[N-]N1	REAL300024434580	1	44	-2.0	-99.78	385.02	-1.53	-101.31
CC(CN(C)C(=O)C1=CC=CN([O-])C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434608	0	42	-2.0	-129.30	381.31	0.87	-128.43
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CC(CN(C)C(=O)C1=CC(=O)N([O-])C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434663	0	42	-2.0	-114.98	373.37	0.64	-114.34
CC(CN(C)C(=O)C1=CC=CC(=O)N1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434693	0	42	-2.0	-129.94	380.87	0.64	-129.30
CC(CN(C)C(=O)CC1=NC([O-])=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024434850	0	41	-2.0	-108.84	379.86	-3.00	-111.84
CC1=CC(=O)C(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024435071	0	43	-2.0	-98.60	380.05	1.03	-97.57
CC(CN(C)C(=O)C1=NC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435084	0	38	-2.0	-94.16	346.52	-3.48	-97.64
CC(CN(C)C(=O)C1=CN=C(C=N[O-])S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435190	0	41	-2.0	-108.03	383.85	-1.75	-109.78
COC1=NC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300024435202	0	44	-2.0	-99.11	388.67	-3.95	-103.06
CC(CN(C)C(=O)C1=CC(=O)N(C)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024435337	0	42	-2.0	-97.95	374.01	-1.03	-98.98
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC=CC=C1[O-]	REAL300024435589	1	41	-2.0	-109.35	367.30	0.46	-108.89
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NNC(=O)[N-]C1=O	REAL300024435708	0	40	-2.0	-100.60	366.81	-5.06	-105.66
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C(=O)[N-]NC1=O	REAL300024435858	0	42	-2.0	-103.26	380.93	-3.39	-106.65
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(Cl)=CC=C1[O-]	REAL300024437086	1	42	-2.0	-106.59	385.51	2.67	-103.92
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([O-])=CC(C#N)=C1	REAL300024437110	1	43	-2.0	-88.73	391.80	0.91	-87.82
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=COC(=O)[N-]1	REAL300024437207	1	38	-2.0	-91.04	350.42	-3.97	-95.01
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N-]C(=O)C(F)(F)F	REAL300024437271	0	41	-2.0	-94.36	384.09	-3.09	-97.45
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C=C1F	REAL300024437292	1	42	-2.0	-100.23	374.84	0.74	-99.49
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([O-])=CC(=O)O1	REAL300024437298	0	41	-2.0	-102.28	373.66	-0.11	-102.39
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C#N)C([O-])=C1	REAL300024437304	1	43	-2.0	-99.32	390.47	1.08	-98.24
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1N=CC(=O)[N-]C1=O	REAL300024437321	0	43	-2.0	-98.65	389.36	-4.39	-103.04
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[N-]N=CC1=O	REAL300024437394	0	40	-2.0	-83.53	356.53	-0.85	-84.38
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(F)=C1[O-]	REAL300024437402	0	42	-2.0	-116.40	375.01	2.22	-114.18
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC([O-])=C1F	REAL300024437486	1	42	-2.0	-112.76	375.33	0.62	-112.14
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N[N-]1	REAL300024437579	0	39	-2.0	-94.01	355.25	-2.97	-96.98
CC(CN(C)C(=O)CSC1=NC(=O)NN1)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300024437585	0	44	-2.0	-101.62	387.79	-1.85	-103.47
CC(CN(C)C(=O)CSC1=NC(=O)[N-]N1)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300024437585	1	44	-2.0	-101.62	387.79	-1.85	-103.47
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N([O-])C=C1	REAL300024437668	0	42	-2.0	-110.17	376.62	1.21	-108.96
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)N[N-]1	REAL300024437690	0	38	-2.0	-91.42	348.56	-4.28	-95.70
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(O)C=CC=C1Cl	REAL300024437692	0	42	-2.0	-97.79	390.18	0.89	-96.90
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C([O-])C=CC=C1Cl	REAL300024437692	1	42	-2.0	-97.79	390.18	0.89	-96.90
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CN([O-])C1=O	REAL300024437696	0	42	-2.0	-118.13	371.32	2.01	-116.12
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(F)=CC=C1O	REAL300024437850	0	42	-2.0	-105.74	375.20	2.22	-103.52
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(F)=CC=C1[O-]	REAL300024437850	1	42	-2.0	-105.74	375.20	2.22	-103.52
CC1=CC=NC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300024437912	0	44	-2.0	-108.35	386.34	1.14	-107.21
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CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(=S)N1[O-]	REAL300024438015	0	42	-2.0	-116.94	384.80	3.24	-113.70
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(O)C=C1Cl	REAL300024438148	0	42	-2.0	-99.81	382.81	1.19	-98.62
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C=C1Cl	REAL300024438148	1	42	-2.0	-99.81	382.81	1.19	-98.62
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=NC([O-])=CS1	REAL300024438159	0	41	-2.0	-120.30	380.48	-3.07	-123.37
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C([O-])C=CC=C1F	REAL300024438174	1	42	-2.0	-99.23	380.69	0.51	-98.72
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300024438175	0	44	-2.0	-100.71	395.13	-2.29	-103.00
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(F)C=C1[O-]	REAL300024438176	0	42	-2.0	-102.55	374.56	2.32	-100.23
CC1=CC=C(F)C([O-])=C1C(=O)NC(C)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024438206	0	45	-2.0	-116.57	399.51	1.16	-115.41
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(Cl)=C1[O-]	REAL300024438291	0	42	-2.0	-110.60	384.82	2.69	-107.91
CC1=CC(=O)C(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024438319	0	43	-2.0	-98.84	383.96	0.79	-98.05
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(=O)N1[O-]	REAL300024438341	0	42	-2.0	-116.76	373.69	2.20	-114.56
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C#N)[N-]C1=O	REAL300024438364	0	42	-2.0	-97.57	381.04	0.07	-97.50
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NN(C)C(=O)[N-]1	REAL300024438405	0	41	-2.0	-100.56	371.29	-2.77	-103.33
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(F)C=CC(O)=C1O	REAL300024438450	0	43	-2.0	-103.62	390.81	-1.33	-104.95
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300024438450	1	43	-2.0	-103.62	390.81	-1.33	-104.95
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(C#N)=CC=C1[O-]	REAL300024438459	0	43	-2.0	-102.65	389.62	2.58	-100.07
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300024438539	0	42	-2.0	-98.46	376.48	-0.25	-98.71
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(F)C(O)=C1	REAL300024438587	0	42	-2.0	-110.29	376.81	0.71	-109.58
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(F)C([O-])=C1	REAL300024438587	1	42	-2.0	-110.29	376.81	0.71	-109.58
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(F)(F)C(F)(F)F	REAL300024438597	0	37	-2.0	-88.62	354.54	-0.29	-88.91
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)[N-]C(=O)C(F)(F)C(F)(F)F	REAL300024438597	1	37	-2.0	-88.62	354.54	-0.29	-88.91
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(Cl)C=C1O	REAL300024438605	0	42	-2.0	-102.61	384.88	2.78	-99.83
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(Cl)C=C1[O-]	REAL300024438605	1	42	-2.0	-102.61	384.88	2.78	-99.83
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024438668	0	40	-2.0	-93.20	368.37	-6.04	-99.24
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024438668	1	40	-2.0	-88.94	367.73	-5.26	-94.20
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C(N)[N-]C1=O	REAL300024438721	1	42	-2.0	-102.24	369.58	-1.10	-103.34
COC1=NC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300024438791	0	44	-2.0	-98.74	394.69	-4.96	-103.70
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(Cl)C([O-])=C1	REAL300024438835	0	42	-2.0	-106.07	386.61	1.20	-104.87
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NC=C1[O-]	REAL300024438842	1	41	-2.0	-103.01	363.45	0.44	-102.57
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300024438848	0	38	-2.0	-97.42	349.99	-2.50	-99.92
CC1=C([O-])N=C(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024438869	1	41	-2.0	-96.21	381.78	-2.85	-99.06
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(=O)C1=CC=C([O-])C=C1	REAL300024438956	1	44	-2.0	-97.72	390.92	0.52	-97.20
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C(C=N[O-])S1	REAL300024438973	0	41	-2.0	-105.03	389.34	-1.39	-106.42
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)NC([O-])=C1	REAL300024439008	0	42	-2.0	-92.68	378.35	-3.81	-96.49
CCN1[N-]C(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024439062	0	45	-2.0	-97.87	399.79	-0.33	-98.20
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300024439079	0	42	-2.0	-96.96	378.06	-1.26	-98.22
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300024439208	1	42	-2.0	-104.10	376.78	0.75	-103.35
CC1=C(CC(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)N(C)[N-]1	REAL300024439268	0	48	-2.0	-104.29	418.72	0.05	-104.24
CC1=CN=C(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300024439302	1	44	-2.0	-110.93	388.74	1.09	-109.84
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([O-])=CS1	REAL300024439320	0	39	-2.0	-104.03	363.19	-0.52	-104.55
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN([O-])C(=O)C=C1	REAL300024439335	0	42	-2.0	-108.08	376.24	1.21	-106.87
CC(CN(C)C(=O)C1=NC(=O)[N-]C(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439490	0	40	-2.0	-97.31	364.45	-5.06	-102.37
CC(CN(C)C(=O)C1=NC(=O)NC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439490	1	40	-2.0	-91.67	364.30	-3.91	-95.58
CC(CN(C)C(=O)CN1[N-]C(=O)C=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439623	0	44	-2.0	-104.23	395.75	-2.48	-106.71
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439630	0	38	-2.0	-100.49	346.18	-2.66	-103.15
CC(CN(C)C(=O)C1=CN([O-])C(=O)NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024439641	0	42	-2.0	-97.44	381.83	-1.81	-99.25
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300024440324	0	41	-2.0	-89.84	369.64	-5.12	-94.96
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300024440365	0	43	-2.0	-91.42	383.12	-3.22	-94.64
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300024440642	0	43	-2.0	-101.99	373.97	0.18	-101.81
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300024440706	0	43	-2.0	-84.02	385.00	-3.95	-87.97
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300024440717	1	39	-2.0	-85.48	348.93	-2.88	-88.36
CCN1[N-]C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)=CC1=O	REAL300024440810	0	46	-2.0	-88.48	398.84	0.03	-88.45
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300024440832	0	42	-2.0	-91.48	371.16	-2.54	-94.02
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300024440876	0	41	-2.0	-81.96	360.62	-1.49	-83.45
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300024440927	0	40	-2.0	-85.13	358.15	-3.00	-88.13
CC1C(NC(=O)CSC2=NC(=O)NN2)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300024440931	0	45	-2.0	-90.18	388.22	-1.91	-92.09
CC1C(NC(=O)CSC2=NC(=O)[N-]N2)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300024440931	1	45	-2.0	-90.18	388.22	-1.91	-92.09
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300024440950	0	43	-2.0	-109.07	388.78	0.70	-108.37
CC1SC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)=NC1=O	REAL300024440968	0	42	-2.0	-91.66	385.10	-2.34	-94.00
CC1=C([O-])N=C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)S1	REAL300024440968	1	42	-2.0	-91.66	385.10	-2.34	-94.00
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300024440978	0	43	-2.0	-99.81	385.56	1.14	-98.67
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300024440996	0	43	-2.0	-117.41	371.82	1.14	-116.27
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1=NC([O-])=CS1	REAL300024441079	0	42	-2.0	-104.51	387.80	-3.29	-107.80
CC1=CC(=O)C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2C)=N[N-]1	REAL300024441197	0	44	-2.0	-89.15	386.69	0.75	-88.40
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300024441205	0	39	-2.0	-85.10	352.94	-3.74	-88.84
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300024441344	0	43	-2.0	-87.73	377.03	-0.90	-88.63
CC1C(NC(=O)C2=NC=CC=C2[O-])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024441594	1	42	-2.0	-94.87	373.46	0.25	-94.62
CC1C(NC(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024441683	0	41	-2.0	-87.93	372.83	-5.24	-93.17
CC1C(NC(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024441769	0	43	-2.0	-89.31	382.65	-3.34	-92.65
CC1C(NC(=O)C2=COC(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442553	1	39	-2.0	-85.30	356.43	-4.16	-89.46
CC1C(NC(=O)C2=CC=C([O-])C=C2F)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442615	1	43	-2.0	-87.86	378.91	0.85	-87.01
CC1C(NC(=O)C2=CC([O-])=CC(=O)O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442618	0	42	-2.0	-86.53	377.73	0.01	-86.52
CC1C(NC(=O)C2=C[N-]N=CC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442675	0	41	-2.0	-77.96	365.45	-1.01	-78.97
CC1C(NC(=O)C2=CC=CC(F)=C2[O-])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442682	0	43	-2.0	-98.52	378.45	2.43	-96.09
CC1C(NC(=O)C2=CC=CC([O-])=C2F)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442737	1	43	-2.0	-97.12	378.78	0.83	-96.29
CC1C(NC(=O)C2=CC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442801	0	40	-2.0	-83.70	356.92	-2.90	-86.60
CC1C(NC(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)CSC1=NC(=O)NN1	REAL300024442806	0	45	-2.0	-87.56	391.05	-1.87	-89.43
CC1C(NC(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)CSC1=NC(=O)[N-]N1	REAL300024442806	1	45	-2.0	-87.56	391.05	-1.87	-89.43
CC1C(NC(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442851	0	43	-2.0	-100.92	384.37	0.88	-100.04
CC1C(NC(=O)C2=NC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442865	0	39	-2.0	-84.57	355.86	-4.46	-89.03
CC1C(NC(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442869	0	43	-2.0	-99.70	377.71	1.46	-98.24
CC1C(NC(=O)C2=CC(F)=CC=C2O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442965	0	43	-2.0	-90.87	378.64	2.43	-88.44
CC1C(NC(=O)C2=CC(F)=CC=C2[O-])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024442965	1	43	-2.0	-90.87	378.64	2.43	-88.44
CC1=CC=NC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)=C1O	REAL300024443006	0	45	-2.0	-94.79	393.77	0.94	-93.85
CC1=CC=NC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)=C1[O-]	REAL300024443006	1	45	-2.0	-94.79	393.77	0.94	-93.85
CC1C(NC(=O)CC2=NC([O-])=CS2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443139	0	42	-2.0	-105.70	383.41	-2.82	-108.52
CC1C(NC(=O)C2=C(O)C=CC=C2F)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443149	0	43	-2.0	-91.22	384.15	0.72	-90.50
CC1C(NC(=O)C2=C([O-])C=CC=C2F)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443149	1	43	-2.0	-91.22	384.15	0.72	-90.50
CC1C(NC(=O)C2=CC=C(F)C=C2[O-])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443150	0	43	-2.0	-93.19	378.63	2.44	-90.75
CC1=CC(=O)C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)=N[N-]1	REAL300024443234	0	44	-2.0	-87.01	390.03	0.62	-86.39
CC1C(NC(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443249	0	43	-2.0	-112.92	381.44	1.88	-111.04
CC1C(NC(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443291	0	42	-2.0	-89.56	374.20	-2.71	-92.27
CC1C(NC(=O)C2=CC=C(F)C([O-])=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443404	1	43	-2.0	-91.20	380.61	0.82	-90.38
CC1C(NC(=O)C2=NC(=O)[N-]C(=O)N2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443449	0	41	-2.0	-82.20	371.30	-5.09	-87.29
CC1C(NC(=O)C2=NC(=O)NC(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443449	1	41	-2.0	-82.20	371.30	-5.09	-87.29
CC1C(NC(=O)C2=CN=C(N)NC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443483	0	43	-2.0	-85.61	375.91	-1.90	-87.51
CC1C(NC(=O)C2=CN=C(N)[N-]C2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443483	1	43	-2.0	-85.61	375.91	-1.90	-87.51
CC1C(NC(=O)C2=CC=NC=C2O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443558	0	42	-2.0	-93.88	371.47	0.14	-93.74
CC1C(NC(=O)C2=CC=NC=C2[O-])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443558	1	42	-2.0	-93.88	371.47	0.14	-93.74
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443563	0	39	-2.0	-88.01	351.66	-2.42	-90.43
CC1SC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)=NC1=O	REAL300024443578	0	42	-2.0	-92.08	388.04	-3.05	-95.13
CC1=C([O-])N=C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)S1	REAL300024443578	1	42	-2.0	-92.08	388.04	-3.05	-95.13
CC1C(NC(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443669	0	43	-2.0	-83.53	384.43	-4.03	-87.56
CCN1[N-]C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)=CC1=O	REAL300024443707	0	46	-2.0	-87.00	405.82	-0.53	-87.53
CC1C(NC(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443723	0	43	-2.0	-86.21	384.00	-1.47	-87.68
CC1C(NC(=O)C2=CC=C(O)C(F)=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443803	0	43	-2.0	-89.32	380.58	0.85	-88.47
CC1C(NC(=O)C2=CC=C([O-])C(F)=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443803	1	43	-2.0	-89.32	380.58	0.85	-88.47
CC1=CN=C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)C(O)=C1	REAL300024443858	0	45	-2.0	-96.21	394.90	0.88	-95.33
CC1=CN=C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2C)C([O-])=C1	REAL300024443858	1	45	-2.0	-96.21	394.90	0.88	-95.33
CC1C(NC(=O)C2=CC([O-])=CS2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443870	0	40	-2.0	-92.57	370.59	-0.73	-93.30
CC1C(NC(=O)C2=CN([O-])C(=O)C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024443881	0	43	-2.0	-100.30	384.00	0.87	-99.43
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024443958	0	41	-2.0	-87.29	371.08	-5.42	-92.71
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024443958	1	41	-2.0	-81.88	371.75	-4.66	-86.54
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300024444045	0	39	-2.0	-88.93	353.13	-2.85	-91.78
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300024444711	0	41	-2.0	-96.07	369.67	-5.11	-101.18
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CN1C(=O)[N-]NC1=O	REAL300024444752	0	43	-2.0	-96.16	387.43	-3.64	-99.80
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300024445029	0	43	-2.0	-107.61	387.01	0.71	-106.90
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300024445093	0	43	-2.0	-93.60	389.11	-4.18	-97.78
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=COC(=O)[N-]1	REAL300024445104	1	39	-2.0	-97.64	353.33	-3.10	-100.74
CCN1[N-]C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)=CC1=O	REAL300024445197	0	46	-2.0	-96.25	402.74	-0.34	-96.59
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300024445219	0	42	-2.0	-99.27	376.00	-2.81	-102.08
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=C[N-]N=CC1=O	REAL300024445263	0	41	-2.0	-90.07	370.88	-1.42	-91.49
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)N[N-]1	REAL300024445314	0	40	-2.0	-93.74	358.48	-2.98	-96.72
CC1CC(NC(=O)CSC2=NC(=O)NN2)CN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300024445318	0	45	-2.0	-94.90	391.38	-2.25	-97.15
CC1CC(NC(=O)CSC2=NC(=O)[N-]N2)CN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300024445318	1	45	-2.0	-94.90	391.38	-2.25	-97.15
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC=CN([O-])C1=O	REAL300024445337	0	43	-2.0	-121.30	388.27	0.74	-120.56
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NC(=O)C(C)S1	REAL300024445355	0	42	-2.0	-105.72	385.13	-2.33	-108.05
CC1=C([O-])N=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)S1	REAL300024445355	1	42	-2.0	-105.72	385.13	-2.33	-108.05
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300024445365	0	43	-2.0	-107.53	389.86	0.76	-106.77
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300024445383	0	43	-2.0	-114.28	386.67	0.49	-113.79
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1=NC([O-])=CS1	REAL300024445466	0	42	-2.0	-107.84	388.27	-3.30	-111.14
CC1=CC(=O)C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)=N[N-]1	REAL300024445584	0	44	-2.0	-97.24	386.86	0.75	-96.49
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NC(=O)N[N-]1	REAL300024445592	0	39	-2.0	-96.89	353.26	-3.71	-100.60
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300024445731	0	43	-2.0	-94.14	379.72	-1.36	-95.50
CC1CC(NC(=O)C2=NC=CC=C2O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024445981	0	42	-2.0	-102.30	373.41	0.27	-102.03
CC1CC(NC(=O)C2=NC=CC=C2[O-])CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024445981	1	42	-2.0	-102.30	373.41	0.27	-102.03
CC1CC(NC(=O)C2=NNC(=O)[N-]C2=O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446070	0	41	-2.0	-92.96	371.97	-5.27	-98.23
CC1CC(NC(=O)CN2C(=O)[N-]NC2=O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446156	0	43	-2.0	-99.17	387.06	-3.57	-102.74
CC1CC(NC(=O)C2=COC(=O)[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024446940	1	39	-2.0	-87.14	355.58	-4.18	-91.32
CC1CC(NC(=O)C2=CC=C([O-])C=C2F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447002	1	43	-2.0	-94.36	383.22	0.43	-93.93
CC1CC(NC(=O)C2=CC([O-])=CC(=O)O2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447005	0	42	-2.0	-89.28	382.03	-0.42	-89.70
CC1CC(NC(=O)CCC2=NC(=O)[N-]N2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447053	1	45	-2.0	-98.90	397.28	-3.49	-102.39
CC1CC(NC(=O)C2=C[N-]N=CC2=O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447062	0	41	-2.0	-79.57	365.67	-1.04	-80.61
CC1CC(NC(=O)C2=CC=CC(F)=C2[O-])CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447069	0	43	-2.0	-110.32	382.46	2.01	-108.31
CC1CC(NC(=O)C2=CC=CC([O-])=C2F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447124	1	43	-2.0	-107.78	382.79	0.41	-107.37
CC1CC(NC(=O)C2=CC(=O)N[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447188	0	40	-2.0	-92.47	361.87	-3.16	-95.63
CC1CC(NC(=O)C(=O)[PH](C)(C)[O-])CN1C(=O)CSC1=NC(=O)[N-]N1	REAL300024447193	1	45	-2.0	-94.08	394.41	-2.15	-96.23
CC1CC(NC(=O)CC2=CC(=O)N(C)[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447197	0	46	-2.0	-101.80	403.80	-0.83	-102.63
CC1CC(NC(=O)C2=CC(=O)N([O-])C=C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447238	0	43	-2.0	-108.82	384.76	0.88	-107.94
CC1CC(NC(=O)C2=NC(=O)N[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447252	0	39	-2.0	-92.99	356.46	-4.45	-97.44
CC1CC(NC(=O)C2=CC=CN([O-])C2=O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447256	0	43	-2.0	-95.49	382.02	1.04	-94.45
CC1CC(NC(=O)C2=NC(N)=CC(=O)[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447328	0	43	-2.0	-99.06	385.61	-3.77	-102.83
CC1CC(NC(=O)C2=CC(F)=CC=C2[O-])CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447352	1	43	-2.0	-100.04	382.65	2.01	-98.03
CC1=CC=NC(C(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024447393	1	45	-2.0	-102.08	393.73	0.95	-101.13
CC1CC(NC(=O)CC2=NC([O-])=CS2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447526	0	42	-2.0	-110.88	387.90	-3.26	-114.14
CC1CC(NC(=O)C2=C([O-])C=CC=C2F)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447536	1	43	-2.0	-99.04	388.17	0.29	-98.75
CC1CC(NC(=O)C2=CC=C(F)C=C2[O-])CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447537	0	43	-2.0	-104.21	382.94	2.02	-102.19
CC1=CC(=O)C(C(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024447621	0	44	-2.0	-90.86	389.13	0.59	-90.27
CC1CC(NC(=O)C2=CC=CC(=O)N2[O-])CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447636	0	43	-2.0	-125.08	381.64	1.87	-123.21
CC1CC(NC(=O)C2=NN(C)C(=O)[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447678	0	42	-2.0	-98.98	379.19	-2.97	-101.95
CC1CC(NC(=O)C2=CC=C(F)C([O-])=C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447791	1	43	-2.0	-90.89	384.65	0.38	-90.51
CC1CC(NC(=O)C2=NC(=O)[N-]C(=O)N2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447836	0	41	-2.0	-84.88	375.21	-5.47	-90.35
CC1CC(NC(=O)C2=NC(=O)NC(=O)[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447836	1	41	-2.0	-84.88	375.21	-5.47	-90.35
CC1CC(NC(=O)C2=CN=C(N)NC2=O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447870	0	43	-2.0	-85.14	380.23	-2.30	-87.44
CC1CC(NC(=O)C2=CN=C(N)[N-]C2=O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447870	1	43	-2.0	-85.14	380.23	-2.30	-87.44
CC1CC(NC(=O)C2=CC=NC=C2O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447945	0	42	-2.0	-100.90	370.48	0.14	-100.76
CC1CC(NC(=O)C2=CC=NC=C2[O-])CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447945	1	42	-2.0	-100.90	370.48	0.14	-100.76
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447950	0	39	-2.0	-96.54	356.61	-2.68	-99.22
CC1CC(NC(=O)C2=NC(=O)C(C)S2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024447965	0	42	-2.0	-93.39	386.94	-3.06	-96.45
CC1=C([O-])N=C(C(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024447965	1	42	-2.0	-93.39	386.94	-3.06	-96.45
CC1CC(NC(=O)C2=CC(=O)NC([O-])=C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024448056	0	43	-2.0	-87.59	383.48	-4.02	-91.61
CCN1[N-]C(C(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024448094	0	46	-2.0	-95.91	406.41	-0.52	-96.43
CC1CC(NC(=O)C2=CC(=O)N(C)[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024448110	0	43	-2.0	-91.61	384.57	-1.48	-93.09
CC1CC(NC(=O)C2=CC=C([O-])C(F)=C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024448190	1	43	-2.0	-93.12	384.62	0.42	-92.70
CC1=CN=C(C(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024448245	1	45	-2.0	-105.06	395.37	0.90	-104.16
CC1CC(NC(=O)C2=CC([O-])=CS2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024448257	0	40	-2.0	-99.49	370.65	-0.71	-100.20
CC1CC(NC(=O)C2=CN([O-])C(=O)C=C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024448268	0	43	-2.0	-108.96	384.10	0.87	-108.09
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024448345	0	41	-2.0	-92.33	371.78	-4.67	-97.00
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024448345	1	41	-2.0	-92.33	371.78	-4.67	-97.00
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300024448432	0	39	-2.0	-99.13	353.18	-2.83	-101.96
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(NC(=O)C3=COC(=O)N3)CCCC12	REAL300024448753	0	43	-2.0	-86.56	376.08	-3.07	-89.63
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(NC(=O)C3=COC(=O)[N-]3)CCCC12	REAL300024448753	1	43	-2.0	-86.56	376.08	-3.07	-89.63
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(NC(=O)C3=CC(=O)N[N-]3)CCCC12	REAL300024448824	0	44	-2.0	-84.29	380.83	-2.08	-86.37
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(NC(=O)C3=NC(=O)N[N-]3)CCCC12	REAL300024448880	0	43	-2.0	-85.61	375.43	-3.37	-88.98
O=C(CSC1=NNC(=O)[N-]1)NC12CCCC1N(C(=O)C1=COC(=O)[N-]1)CC2	REAL300024449240	1	43	-2.0	-85.84	371.57	-2.40	-88.24
O=C(CSC1=NNC(=O)[N-]1)NC12CCCC1N(C(=O)C1=CC(=O)N[N-]1)CC2	REAL300024449294	0	44	-2.0	-85.55	378.21	-1.89	-87.44
O=C(CSC1=NNC(=O)[N-]1)NC12CCCC1N(C(=O)C1=NC(=O)N[N-]1)CC2	REAL300024449307	0	43	-2.0	-96.95	369.18	-3.05	-100.00
O=C(CSC1=NNC(=O)[N-]1)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300024449456	0	43	-2.0	-88.16	371.43	-2.09	-90.25
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300024449595	0	43	-2.0	-88.71	375.66	-1.60	-90.31
CC1C(NC(=O)C2=COC(=O)[N-]2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450710	1	42	-2.0	-86.67	366.54	-3.29	-89.96
CC1C(NC(=O)C2=NN(C)C(=O)[N-]2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450794	0	45	-2.0	-96.53	385.64	-1.43	-97.96
CC1C(NC(=O)C2=C[N-]N=CC2=O)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450822	0	44	-2.0	-80.32	375.60	-0.15	-80.47
CC1C(NC(=O)C2=CC(=O)N[N-]2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024450856	0	43	-2.0	-91.66	368.39	-1.62	-93.28
CC1C(NC(=O)C2=NC(=O)N[N-]2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024451017	0	42	-2.0	-86.76	365.96	-3.60	-90.36
CC1C(NC(=O)C2=CC(=O)N(C)[N-]2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024451100	0	46	-2.0	-93.66	391.13	0.09	-93.57
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=NC=CC=C1[O-]	REAL300024451348	1	45	-2.0	-98.45	377.24	2.06	-96.39
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=COC(=O)[N-]1	REAL300024451728	1	42	-2.0	-84.38	360.33	-1.35	-85.73
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300024451791	0	44	-2.0	-78.75	370.87	0.01	-78.74
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300024451839	0	43	-2.0	-87.50	368.05	-2.16	-89.66
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=NC(=O)N[N-]1	REAL300024451865	0	42	-2.0	-86.47	362.80	-2.74	-89.21
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300024452036	0	45	-2.0	-94.88	385.89	-1.99	-96.87
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC=NC=C1[O-]	REAL300024452135	0	45	-2.0	-103.59	380.93	0.01	-103.58
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300024452137	0	42	-2.0	-91.88	360.15	-1.40	-93.28
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300024452208	0	46	-2.0	-90.03	390.79	-0.45	-90.48
CC1C(NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC([O-])=CS1	REAL300024452274	0	43	-2.0	-99.97	376.97	-0.40	-100.37
CC1C(NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024452390	0	42	-2.0	-96.29	363.14	-1.13	-97.42
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC(NC(=O)C2=COC(=O)[N-]2)C1	REAL300024453125	1	42	-2.0	-86.73	380.07	-4.58	-91.31
CN1N=C(C(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024453209	0	45	-2.0	-92.69	402.88	-3.25	-95.94
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC(NC(=O)C2=C[N-]N=CC2=O)C1	REAL300024453237	0	44	-2.0	-79.33	389.84	-1.31	-80.64
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC(NC(=O)C2=CC(=O)N[N-]2)C1	REAL300024453271	0	43	-2.0	-87.01	385.51	-3.53	-90.54
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC(NC(=O)C2=NC(=O)N[N-]2)C1	REAL300024453432	0	42	-2.0	-86.42	380.22	-4.76	-91.18
CN1[N-]C(C(=O)NC2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024453515	0	46	-2.0	-89.59	408.32	-1.82	-91.41
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(CNC(=O)C2=NC=CC=C2[O-])C1	REAL300024453763	1	45	-2.0	-100.83	396.94	-0.14	-100.97
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(CNC(=O)C2=COC(=O)[N-]2)C1	REAL300024454226	1	42	-2.0	-86.95	380.06	-4.59	-91.54
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(CNC(=O)C2=C[N-]N=CC2=O)C1	REAL300024454293	0	44	-2.0	-79.07	389.56	-1.40	-80.47
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300024454350	0	43	-2.0	-87.54	384.86	-3.58	-91.12
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300024454382	0	42	-2.0	-86.41	379.67	-4.79	-91.20
CN1N=C(C(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024454585	0	45	-2.0	-93.11	402.40	-3.30	-96.41
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(CNC(=O)C2=CC=NC=C2[O-])C1	REAL300024454703	1	45	-2.0	-100.78	395.00	-0.26	-101.04
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300024454705	0	42	-2.0	-90.84	379.82	-3.01	-93.85
CN1[N-]C(C(=O)NCC2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024454785	0	46	-2.0	-90.14	407.70	-1.88	-92.02
O=C(CSC1=NNC(=O)[N-]1)NC1CCC(CNC(=O)C2=CC([O-])=CS2)C1	REAL300024454869	0	43	-2.0	-95.71	394.57	-1.10	-96.81
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024454988	0	42	-2.0	-91.44	379.64	-3.10	-94.54
CC1(C)CN(C(=O)C2=COC(=O)[N-]2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024455692	1	42	-2.0	-95.86	372.84	-2.63	-98.49
CN1N=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)[N-]C1=O	REAL300024455776	0	45	-2.0	-96.83	394.75	-2.36	-99.19
CC1(C)CN(C(=O)C2=C[N-]N=CC2=O)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024455804	0	44	-2.0	-92.09	390.76	-0.89	-92.98
CC1(C)CN(C(=O)C2=CC(=O)N[N-]2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024455838	0	43	-2.0	-91.71	377.31	-2.54	-94.25
CC1(C)CN(C(=O)C2=NC(=O)N[N-]2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024455999	0	42	-2.0	-95.32	372.09	-3.37	-98.69
CN1[N-]C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C(C)(C)C2)=CC1=O	REAL300024456082	0	46	-2.0	-93.71	400.05	-0.83	-94.54
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=NC=CC=C1[O-]	REAL300024456330	1	45	-2.0	-102.30	390.77	1.05	-101.25
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=COC(=O)[N-]1	REAL300024456793	1	42	-2.0	-85.26	374.83	-3.30	-88.56
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=C[N-]N=CC1=O	REAL300024456860	0	44	-2.0	-86.71	382.94	-0.22	-86.93
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC(=O)N[N-]1	REAL300024456917	0	43	-2.0	-92.73	378.72	-2.39	-95.12
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=NC(=O)N[N-]1	REAL300024456949	0	42	-2.0	-85.91	373.38	-3.69	-89.60
CN1N=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)[N-]C1=O	REAL300024457152	0	45	-2.0	-94.27	396.03	-2.19	-96.46
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC=NC=C1[O-]	REAL300024457270	1	45	-2.0	-102.74	388.83	0.95	-101.79
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300024457272	0	42	-2.0	-90.92	373.46	-1.91	-92.83
CN1[N-]C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2(C)C)=CC1=O	REAL300024457352	0	46	-2.0	-88.93	402.36	-0.58	-89.51
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC([O-])=CS1	REAL300024457436	0	43	-2.0	-98.03	388.01	0.05	-97.98
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024457555	0	42	-2.0	-96.57	372.38	-2.33	-98.90
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300024458551	0	43	-2.0	-102.25	395.32	-1.86	-104.11
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300024458614	0	43	-2.0	-87.38	396.32	-7.48	-94.86
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300024458622	1	39	-2.0	-87.72	361.32	-6.22	-93.94
CCN1[N-]C(C(=O)N(C)CC(O)CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024458713	0	46	-2.0	-91.94	410.09	-3.40	-95.34
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300024458732	0	42	-2.0	-95.50	383.10	-5.32	-100.82
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]N=CC1=O	REAL300024458773	0	41	-2.0	-86.03	378.57	-4.00	-90.03
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300024458820	0	40	-2.0	-88.32	365.55	-5.49	-93.81
CN(CC(O)CNC(=O)CSC1=NC(=O)NN1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300024458824	0	45	-2.0	-93.87	400.07	-4.85	-98.72
CN(CC(O)CNC(=O)CSC1=NC(=O)[N-]N1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300024458824	1	45	-2.0	-93.87	400.07	-4.85	-98.72
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CN([O-])C1=O	REAL300024458841	0	43	-2.0	-113.11	395.53	-2.60	-115.71
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300024458866	0	43	-2.0	-106.65	387.20	-2.02	-108.67
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300024458886	0	43	-2.0	-108.59	394.71	-2.06	-110.65
CC1=CC(=O)C(C(=O)N(C)CC(O)CNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024459085	0	44	-2.0	-91.47	394.27	-2.25	-93.72
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300024459092	0	39	-2.0	-88.47	361.17	-7.01	-95.48
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300024459233	0	43	-2.0	-91.15	388.36	-4.34	-95.49
CN(CC(O)CNC(=O)C1=NC=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024459483	1	42	-2.0	-100.48	379.94	-2.57	-103.05
CN(CC(O)CNC(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460272	1	39	-2.0	-90.52	363.06	-7.01	-97.53
CN(CC(O)CNC(=O)C1=CC=C([O-])C=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460323	1	43	-2.0	-91.88	389.66	-2.39	-94.27
CN(CC(O)CNC(=O)C1=CC([O-])=CC(=O)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460326	0	42	-2.0	-89.89	388.47	-3.24	-93.13
CN(CC(O)CNC(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460374	0	41	-2.0	-83.32	372.12	-3.87	-87.19
CN(CC(O)CNC(=O)C1=CC=CC(F)=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024460381	0	43	-2.0	-104.33	389.20	-0.79	-105.12
CN(CC(O)CNC(=O)C1=CC=CC([O-])=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460428	1	43	-2.0	-101.94	389.52	-2.41	-104.35
CN(CC(O)CNC(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460485	0	40	-2.0	-90.35	370.14	-6.62	-96.97
CN(CC(O)CNC(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)NN1	REAL300024460489	0	45	-2.0	-92.04	402.67	-5.05	-97.09
CN(CC(O)CNC(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)[N-]N1	REAL300024460489	1	45	-2.0	-92.04	402.67	-5.05	-97.09
CN(CC(O)CNC(=O)C1=CC(=O)N([O-])C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460527	0	43	-2.0	-105.50	391.93	-2.47	-107.97
CN(CC(O)CNC(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460540	0	39	-2.0	-91.36	363.52	-7.82	-99.18
CN(CC(O)CNC(=O)C1=CC=CN([O-])C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460543	0	43	-2.0	-106.10	390.36	-2.39	-108.49
CN(CC(O)CNC(=O)C1=CC(F)=CC=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460625	0	43	-2.0	-96.41	389.39	-0.79	-97.20
CN(CC(O)CNC(=O)C1=CC(F)=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024460625	1	43	-2.0	-96.41	389.39	-0.79	-97.20
CC1=CC=NC(C(=O)NCC(O)CN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300024460664	0	45	-2.0	-101.96	401.30	-2.38	-104.34
CC1=CC=NC(C(=O)NCC(O)CN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300024460664	1	45	-2.0	-101.96	401.30	-2.38	-104.34
CN(CC(O)CNC(=O)C1=C(O)C=CC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460785	0	43	-2.0	-101.29	395.65	-3.04	-104.33
CN(CC(O)CNC(=O)C1=C([O-])C=CC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460785	1	43	-2.0	-101.29	395.65	-3.04	-104.33
CC1=CC(=O)C(C(=O)NCC(O)CN(C)C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024460858	0	44	-2.0	-94.21	398.85	-2.82	-97.03
CN(CC(O)CNC(=O)C1=CC=CC(=O)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024460870	0	43	-2.0	-117.14	388.24	-0.93	-118.07
CN(CC(O)CNC(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460903	0	42	-2.0	-96.21	386.25	-6.31	-102.52
CN(CC(O)CNC(=O)C1=CC=C(F)C(O)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460992	0	43	-2.0	-96.09	392.13	-2.96	-99.05
CN(CC(O)CNC(=O)C1=CC=C(F)C([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024460992	1	43	-2.0	-96.09	392.13	-2.96	-99.05
CN(CC(O)CNC(=O)C1=CN=C(N)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461055	1	43	-2.0	-92.92	388.57	-5.74	-98.66
CN(CC(O)CNC(=O)C1=CC=NC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024461119	1	42	-2.0	-99.97	380.24	-3.28	-103.25
CN(CC(O)CNC(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461124	0	39	-2.0	-92.95	362.63	-5.54	-98.49
CN(CC(O)CNC(=O)C1=CC(=O)NC([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461213	0	43	-2.0	-89.51	393.24	-7.45	-96.96
CCN1[N-]C(C(=O)NCC(O)CN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024461244	0	46	-2.0	-93.63	414.69	-3.97	-97.60
CN(CC(O)CNC(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461257	0	43	-2.0	-92.92	392.95	-4.91	-97.83
CN(CC(O)CNC(=O)C1=CC=C([O-])C(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461329	1	43	-2.0	-94.09	392.09	-2.93	-97.02
CC1=CN=C(C(=O)NCC(O)CN(C)C(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300024461377	1	45	-2.0	-101.90	401.39	-1.93	-103.83
CN(CC(O)CNC(=O)C1=CC([O-])=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461388	0	40	-2.0	-98.39	379.37	-4.16	-102.55
CN(CC(O)CNC(=O)C1=CN([O-])C(=O)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024461397	0	43	-2.0	-104.72	391.56	-2.45	-107.17
CN(CC(O)CNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300024461557	0	39	-2.0	-93.95	361.17	-6.20	-100.15
CN(CC(O)CN(C)C(=O)C1=COC(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462130	0	42	-2.0	-90.45	377.74	-3.80	-94.25
CN(CC(O)CN(C)C(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462130	1	42	-2.0	-90.45	377.74	-3.80	-94.25
CN(CC(O)CN(C)C(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462221	0	44	-2.0	-86.57	396.22	-2.11	-88.68
CN(CC(O)CN(C)C(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462250	0	43	-2.0	-101.99	382.24	-4.05	-106.04
CN(CC(O)CN(C)C(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462371	0	42	-2.0	-99.64	378.24	-4.83	-104.47
CN(CC(O)CN(C)C(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462430	0	46	-2.0	-92.20	403.83	-1.83	-94.03
CN(CC(O)CN(C)C(=O)C1=NC=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024462644	1	45	-2.0	-99.74	394.60	-0.15	-99.89
CN(CC(O)CN(C)C(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024462999	1	42	-2.0	-90.45	377.74	-3.80	-94.25
CN(CC(O)CN(C)C(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463052	0	44	-2.0	-86.57	396.22	-2.11	-88.68
CN(CC(O)CN(C)C(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463101	0	43	-2.0	-101.99	382.24	-4.05	-106.04
CN(CC(O)CN(C)C(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463122	0	42	-2.0	-99.64	378.24	-4.83	-104.47
CN(CC(O)CN(C)C(=O)C1=CC=NC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024463364	0	45	-2.0	-102.14	394.18	-1.88	-104.02
CN(CC(O)CN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463366	0	42	-2.0	-94.31	377.60	-3.78	-98.09
CN(CC(O)CN(C)C(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463430	0	46	-2.0	-92.20	403.83	-1.83	-94.03
CN(CC(O)CN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024463582	0	42	-2.0	-94.31	377.60	-3.78	-98.09
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300024464156	1	44	-2.0	-103.97	372.41	1.58	-102.39
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300024464225	0	47	-2.0	-89.89	405.41	-0.35	-90.24
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]N=CC1=O	REAL300024464247	0	46	-2.0	-77.89	387.54	1.15	-76.74
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300024464276	0	45	-2.0	-83.54	387.86	-0.49	-84.03
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300024464400	0	44	-2.0	-83.04	382.64	-1.15	-84.19
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300024464461	0	48	-2.0	-101.24	397.65	1.59	-99.65
CC(C)N(CCN(C)C(=O)C1=NC=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024464698	1	47	-2.0	-115.26	399.14	3.29	-111.97
CC(C)N(CCN(C)C(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465125	1	44	-2.0	-91.32	382.23	-0.39	-91.71
CC(C)N(CCN(C)C(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465186	0	46	-2.0	-98.50	402.58	1.26	-97.24
CC(C)N(CCN(C)C(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465239	0	45	-2.0	-84.29	389.18	-0.26	-84.55
CC(C)N(CCN(C)C(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465267	0	44	-2.0	-83.68	382.45	-1.18	-84.86
CC(C)N(CCN(C)C(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465450	0	47	-2.0	-90.24	406.63	-0.10	-90.34
CC(C)N(CCN(C)C(=O)C1=CC=NC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024465554	0	47	-2.0	-113.46	400.59	1.20	-112.26
CC(C)N(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465556	0	44	-2.0	-98.84	382.07	-0.37	-99.21
CC(C)N(CCN(C)C(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465630	0	48	-2.0	-99.37	409.88	1.24	-98.13
CC(C)N(CCN(C)C(=O)C1=CC([O-])=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024465705	0	45	-2.0	-94.82	396.09	1.46	-93.36
CC(C)N(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300024465798	0	44	-2.0	-111.15	374.19	0.52	-110.63
CC(C)(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=COC(=O)[N-]1	REAL300024466447	1	44	-2.0	-88.14	381.89	-4.43	-92.57
CN1N=C(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)[N-]C1=O	REAL300024466527	0	47	-2.0	-92.42	403.97	-3.23	-95.65
CC(C)(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[N-]N=CC1=O	REAL300024466552	0	46	-2.0	-79.75	390.95	-1.27	-81.02
CC(C)(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N[N-]1	REAL300024466584	0	45	-2.0	-86.63	386.73	-3.43	-90.06
CC(C)(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)N[N-]1	REAL300024466730	0	44	-2.0	-87.76	381.33	-4.73	-92.49
CN1[N-]C(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)=CC1=O	REAL300024466805	0	48	-2.0	-88.94	409.58	-1.72	-90.66
CC(C)(C)C(CNC(=O)C1=NC=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024467042	1	47	-2.0	-95.60	398.78	0.00	-95.60
CC(C)(C)C(CNC(=O)C1=COC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024467469	1	44	-2.0	-90.39	381.91	-4.44	-94.83
CC(C)(C)C(CNC(=O)C1=C[N-]N=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024467530	0	46	-2.0	-81.51	390.95	-1.28	-82.79
CC(C)(C)C(CNC(=O)C1=CC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024467583	0	45	-2.0	-86.81	386.74	-3.46	-90.27
CC(C)(C)C(CNC(=O)C1=NC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024467611	0	44	-2.0	-89.33	381.32	-4.74	-94.07
CN1N=C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)[N-]C1=O	REAL300024467794	0	47	-2.0	-92.09	404.06	-3.24	-95.33
CC(C)(C)C(CNC(=O)C1=CC=NC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024467898	1	47	-2.0	-93.97	396.84	-0.11	-94.08
CC(C)(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024467900	0	44	-2.0	-92.20	381.47	-2.97	-95.17
CN1[N-]C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)(C)C)=CC1=O	REAL300024467974	0	48	-2.0	-88.90	409.55	-1.75	-90.65
CC(C)(C)C(CNC(=O)C1=CC([O-])=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024468049	0	45	-2.0	-94.72	395.96	-1.00	-95.72
CC(C)(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300024468154	0	44	-2.0	-91.59	381.46	-2.94	-94.53
COCCN(CCNC(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468712	1	42	-2.0	-91.13	378.96	-4.93	-96.06
COCCN(CCNC(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468803	0	44	-2.0	-84.90	388.02	-1.78	-86.68
COCCN(CCNC(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468832	0	43	-2.0	-92.04	383.79	-3.94	-95.98
COCCN(CCNC(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024468953	0	42	-2.0	-88.72	385.16	-5.34	-94.06
COCCN(CCNC(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024469012	0	46	-2.0	-94.92	406.60	-2.23	-97.15
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC=C1[O-]	REAL300024469226	1	45	-2.0	-104.33	400.10	0.17	-104.16
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300024469581	1	42	-2.0	-86.33	383.40	-3.29	-89.62
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]N=CC1=O	REAL300024469634	0	44	-2.0	-87.42	401.05	-2.31	-89.73
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300024469683	0	43	-2.0	-95.64	386.90	-3.69	-99.33
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300024469704	0	42	-2.0	-96.21	381.81	-3.99	-100.20
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC=C1[O-]	REAL300024469946	0	45	-2.0	-98.70	403.76	-2.42	-101.12
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300024469948	0	42	-2.0	-92.73	383.45	-3.82	-96.55
COCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300024470012	0	46	-2.0	-97.48	409.79	-1.99	-99.47
COCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024470164	0	42	-2.0	-95.43	378.53	-3.46	-98.89
C[C@@H](NC(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470491	1	45	-2.0	-86.78	385.44	-2.89	-89.67
C[C@@H](NC(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470569	0	46	-2.0	-86.43	390.27	-1.90	-88.33
C[C@@H](NC(=O)C1=NC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024470637	0	45	-2.0	-88.72	389.48	-2.89	-91.61
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300024470993	1	45	-2.0	-86.89	386.97	-1.35	-88.24
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300024471045	0	46	-2.0	-90.47	391.85	-1.40	-91.87
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300024471055	0	45	-2.0	-87.52	386.58	-2.05	-89.57
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300024471200	0	45	-2.0	-96.32	386.57	-1.45	-97.77
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471339	0	45	-2.0	-90.88	385.01	-1.41	-92.29
C[C@H](NC(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471658	1	45	-2.0	-88.30	390.06	-2.58	-90.88
C[C@H](NC(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471736	0	46	-2.0	-86.60	389.71	-1.88	-88.48
C[C@H](NC(=O)C1=NC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024471804	0	45	-2.0	-86.88	384.30	-3.18	-90.06
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300024472160	1	45	-2.0	-85.82	381.52	-1.62	-87.44
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300024472212	0	46	-2.0	-86.68	386.62	-1.68	-88.36
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300024472222	0	45	-2.0	-85.93	381.13	-2.31	-88.24
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300024472367	0	45	-2.0	-91.22	381.55	-1.63	-92.85
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024472506	0	45	-2.0	-93.48	389.63	-1.10	-94.58
CN(C(=O)C1=NNC(=O)[N-]C1=O)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473252	0	41	-2.0	-92.95	368.71	-5.07	-98.02
CN(C(=O)CN1C(=O)[N-]NC1=O)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473300	0	43	-2.0	-94.59	385.10	-3.64	-98.23
CN(C(=O)C1=CN([O-])C(=O)C=C1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473640	0	43	-2.0	-104.57	378.81	0.46	-104.11
CN(C(=O)C1=CC(=O)NC([O-])=C1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473715	0	43	-2.0	-86.58	384.78	-4.40	-90.98
CN(C(=O)C1=COC(=O)[N-]1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473726	1	39	-2.0	-85.65	352.20	-2.87	-88.52
CCN1[N-]C(C(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024473831	0	46	-2.0	-90.61	398.76	-0.44	-91.05
CN(C(=O)C1=NN(C)C(=O)[N-]1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473857	0	42	-2.0	-93.88	375.00	-2.83	-96.71
CN(C(=O)C1=C[N-]N=CC1=O)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473909	0	41	-2.0	-86.62	367.26	-1.66	-88.28
CN(C(=O)C1=CC(=O)N[N-]1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473967	0	40	-2.0	-86.98	357.04	-2.96	-89.94
CN(C(=O)C(=O)[PH](C)(C)[O-])C1CC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024473972	0	45	-2.0	-98.41	382.96	-1.60	-100.01
CN(C(=O)C(=O)[PH](C)(C)[O-])C1CC(NC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024473972	1	45	-2.0	-98.41	382.96	-1.60	-100.01
CN(C(=O)CCC1=NNC(=O)[N-]1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473990	0	45	-2.0	-91.11	396.15	-3.06	-94.17
CN(C(=O)C1=CC=CN([O-])C1=O)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024473992	0	43	-2.0	-109.42	387.12	0.62	-108.80
CC1SC(C(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024474011	0	42	-2.0	-92.09	384.30	-2.22	-94.31
CC1=C([O-])N=C(C(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024474011	1	42	-2.0	-92.09	384.30	-2.22	-94.31
CN(C(=O)C1=CC(=O)N([O-])C=C1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474025	0	43	-2.0	-100.45	387.79	0.71	-99.74
CN(C(=O)C1=CC=CC(=O)N1[O-])C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474046	0	43	-2.0	-98.03	374.74	1.05	-96.98
CN(C(=O)CC1=NC([O-])=CS1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474147	0	42	-2.0	-107.18	386.69	-3.34	-110.52
CC1=CC(=O)C(C(=O)N(C)C2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024474285	0	44	-2.0	-91.29	383.00	0.66	-90.63
CN(C(=O)C1=NC(=O)N[N-]1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474295	0	39	-2.0	-88.25	348.99	-3.71	-91.96
CN(C(=O)C1=CC(=O)N(C)[N-]1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024474461	0	43	-2.0	-89.96	377.03	-1.38	-91.34
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=NC=CC=C2[O-])C1	REAL300024474711	1	42	-2.0	-97.43	369.26	0.09	-97.34
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024474800	0	41	-2.0	-90.08	368.79	-5.41	-95.49
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024474886	0	43	-2.0	-93.48	385.80	-3.63	-97.11
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=COC(=O)[N-]2)C1	REAL300024475670	1	39	-2.0	-85.03	355.29	-4.20	-89.23
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CC=C([O-])C=C2F)C1	REAL300024475732	1	43	-2.0	-89.67	378.72	0.27	-89.40
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300024475735	0	42	-2.0	-86.47	380.44	-0.45	-86.92
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=C[N-]N=CC2=O)C1	REAL300024475792	0	41	-2.0	-83.59	364.20	-1.00	-84.59
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CC=CC(F)=C2[O-])C1	REAL300024475799	0	43	-2.0	-102.47	381.02	2.03	-100.44
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CC=CC([O-])=C2F)C1	REAL300024475854	1	43	-2.0	-101.48	378.60	0.26	-101.22
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CC(=O)N[N-]2)C1	REAL300024475918	0	40	-2.0	-84.98	357.44	-3.32	-88.30
CN(C(=O)CSC1=NC(=O)NN1)C1CC(NC(=O)C(=O)[PH](C)(C)[O-])C1	REAL300024475923	0	45	-2.0	-102.54	385.29	-1.40	-103.94
CN(C(=O)CSC1=NC(=O)[N-]N1)C1CC(NC(=O)C(=O)[PH](C)(C)[O-])C1	REAL300024475923	1	45	-2.0	-102.54	385.29	-1.40	-103.94
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024475968	0	43	-2.0	-103.43	383.00	0.90	-102.53
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=NC(=O)N[N-]2)C1	REAL300024475982	0	39	-2.0	-89.94	354.57	-4.46	-94.40
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024475986	0	43	-2.0	-95.23	377.72	0.93	-94.30
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CC(F)=CC=C2O)C1	REAL300024476082	0	43	-2.0	-94.18	378.44	1.85	-92.33
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CC(F)=CC=C2[O-])C1	REAL300024476082	1	43	-2.0	-94.18	378.44	1.85	-92.33
CC1=CC=NC(C(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300024476123	0	45	-2.0	-97.23	389.60	0.78	-96.45
CC1=CC=NC(C(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024476123	1	45	-2.0	-97.23	389.60	0.78	-96.45
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)CC2=NC([O-])=CS2)C1	REAL300024476256	0	42	-2.0	-105.23	386.51	-3.26	-108.49
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=C([O-])C=CC=C2F)C1	REAL300024476266	1	43	-2.0	-93.91	386.84	0.27	-93.64
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CC=C(F)C=C2[O-])C1	REAL300024476267	0	43	-2.0	-97.82	378.43	1.86	-95.96
CC1=CC(=O)C(C(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024476351	0	44	-2.0	-91.71	388.70	0.61	-91.10
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024476366	0	43	-2.0	-117.75	377.44	1.72	-116.03
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300024476408	0	42	-2.0	-91.37	374.54	-3.12	-94.49
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300024476521	1	43	-2.0	-97.87	383.20	0.41	-97.46
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024476566	0	41	-2.0	-81.65	371.00	-5.63	-87.28
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024476566	1	41	-2.0	-81.65	371.00	-5.63	-87.28
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CN=C(N)NC2=O)C1	REAL300024476600	0	43	-2.0	-83.70	375.71	-2.46	-86.16
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300024476600	1	43	-2.0	-83.70	375.71	-2.46	-86.16
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CC=NC=C2O)C1	REAL300024476675	0	42	-2.0	-99.10	370.22	0.10	-99.00
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CC=NC=C2[O-])C1	REAL300024476675	1	42	-2.0	-99.10	370.22	0.10	-99.00
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024476680	0	39	-2.0	-89.01	351.96	-2.85	-91.86
CC1SC(C(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024476695	0	42	-2.0	-98.07	386.52	-3.04	-101.11
CC1=C([O-])N=C(C(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024476695	1	42	-2.0	-98.07	386.52	-3.04	-101.11
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024476786	0	43	-2.0	-85.28	383.23	-4.05	-89.33
CCN1[N-]C(C(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024476824	0	46	-2.0	-88.35	401.77	-0.70	-89.05
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300024476840	0	43	-2.0	-90.73	382.80	-1.46	-92.19
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CC=C(O)C(F)=C2)C1	REAL300024476920	0	43	-2.0	-93.10	383.16	0.45	-92.65
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300024476920	1	43	-2.0	-93.10	383.16	0.45	-92.65
CC1=CN=C(C(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C(O)=C1	REAL300024476975	0	45	-2.0	-98.92	390.71	0.72	-98.20
CC1=CN=C(C(=O)NC2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024476975	1	45	-2.0	-98.92	390.71	0.72	-98.20
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CC([O-])=CS2)C1	REAL300024476987	0	40	-2.0	-95.76	369.34	-0.77	-96.53
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CC(NC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024476998	0	43	-2.0	-102.55	382.63	0.91	-101.64
CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024477092	0	41	-2.0	-91.19	367.70	-5.46	-96.65
CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024477092	1	41	-2.0	-83.16	370.82	-4.50	-87.66
CN(C(=O)C1=CC(=O)[N-]O1)C1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024477191	0	39	-2.0	-95.11	344.63	-1.61	-96.72
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300024478175	1	42	-2.0	-90.86	384.62	-3.63	-94.49
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]N=CC1=O	REAL300024478266	0	44	-2.0	-87.80	404.40	-2.29	-90.09
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300024478295	0	43	-2.0	-100.54	389.42	-3.03	-103.57
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300024478416	0	42	-2.0	-97.38	384.21	-3.71	-101.09
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300024478475	0	46	-2.0	-91.69	412.29	-1.99	-93.68
CN(CCOCCNC(=O)C1=NC=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024478689	1	45	-2.0	-100.66	405.48	-0.56	-101.22
CN(CCOCCNC(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479044	1	42	-2.0	-86.39	388.60	-5.01	-91.40
CN(CCOCCNC(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479097	0	44	-2.0	-79.62	397.65	-1.86	-81.48
CN(CCOCCNC(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479146	0	43	-2.0	-87.00	393.43	-4.02	-91.02
CN(CCOCCNC(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479167	0	42	-2.0	-86.38	386.82	-5.23	-91.61
CN(CCOCCNC(=O)C1=CC=NC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024479409	1	45	-2.0	-100.29	403.53	-0.67	-100.96
CN(CCOCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479411	0	42	-2.0	-90.80	388.17	-3.53	-94.33
CN(CCOCCNC(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024479475	0	46	-2.0	-89.74	416.24	-2.31	-92.05
CN(CCOCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300024479627	0	42	-2.0	-94.10	384.46	-3.60	-97.70
O=C(CSC1=NNC(=O)[N-]1)N1CC=C(CNC(=O)C2=COC(=O)[N-]2)CC1	REAL300024480338	1	40	-2.0	-85.23	366.98	-3.56	-88.79
CN1N=C(C(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)[N-]C1=O	REAL300024480425	0	43	-2.0	-91.84	389.06	-2.36	-94.20
O=C(CSC1=NNC(=O)[N-]1)N1CC=C(CNC(=O)C2=C[N-]N=CC2=O)CC1	REAL300024480457	0	42	-2.0	-78.08	376.02	-0.41	-78.49
O=C(CSC1=NNC(=O)[N-]1)N1CC=C(CNC(=O)C2=CC(=O)N[N-]2)CC1	REAL300024480491	0	41	-2.0	-85.48	371.80	-2.57	-88.05
O=C(CSC1=NNC(=O)[N-]1)N1CC=C(CNC(=O)C2=NC(=O)N[N-]2)CC1	REAL300024480660	0	40	-2.0	-85.17	366.40	-3.87	-89.04
CN1[N-]C(C(=O)NCC2=CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300024480747	0	44	-2.0	-88.08	394.61	-0.86	-88.94
O=C(CSC1=NNC(=O)[N-]1)NCC1=CCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300024480996	1	43	-2.0	-99.34	380.99	1.35	-97.99
O=C(CSC1=NNC(=O)[N-]1)NCC1=CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300024481471	1	40	-2.0	-85.49	363.98	-2.32	-87.81
O=C(CSC1=NNC(=O)[N-]1)NCC1=CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300024481541	0	42	-2.0	-86.58	382.23	-0.86	-87.44
O=C(CSC1=NNC(=O)[N-]1)NCC1=CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300024481600	0	41	-2.0	-86.15	368.82	-2.35	-88.50
O=C(CSC1=NNC(=O)[N-]1)NCC1=CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300024481634	0	40	-2.0	-85.53	363.59	-3.00	-88.53
CN1N=C(C(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)[N-]C1=O	REAL300024481848	0	43	-2.0	-92.95	386.36	-2.18	-95.13
O=C(CSC1=NNC(=O)[N-]1)NCC1=CCN(C(=O)C2=CC=NC=C2[O-])CC1	REAL300024481978	0	43	-2.0	-98.65	383.08	-0.76	-99.41
O=C(CSC1=NNC(=O)[N-]1)NCC1=CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300024481981	0	40	-2.0	-90.61	363.32	-2.30	-92.91
CN1[N-]C(C(=O)N2CC=C(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300024482068	0	44	-2.0	-88.45	391.10	-0.65	-89.10
O=C(CSC1=NNC(=O)[N-]1)NCC1=CCN(C(=O)C2=CC([O-])=CS2)CC1	REAL300024482158	0	41	-2.0	-97.08	377.81	-0.57	-97.65
O=C(CSC1=NNC(=O)[N-]1)N1CC=C(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300024482283	0	40	-2.0	-89.59	366.55	-2.08	-91.67
CC1CCC(NC(=O)C2=COC(=O)[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483221	1	42	-2.0	-100.09	363.94	-3.27	-103.36
CC1CCC(NC(=O)C2=NN(C)C(=O)[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483305	0	45	-2.0	-109.25	386.11	-2.09	-111.34
CC1CCC(NC(=O)C2=C[N-]N=CC2=O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483333	0	44	-2.0	-84.20	376.48	-0.34	-84.54
CC1CCC(NC(=O)C2=CC(=O)N[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483367	0	43	-2.0	-101.79	368.77	-2.28	-104.07
CC1CCC(NC(=O)C2=NC(=O)N[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483528	0	42	-2.0	-101.19	363.38	-3.58	-104.77
CC1CCC(NC(=O)C2=CC(=O)N(C)[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024483611	0	46	-2.0	-104.87	391.60	-0.57	-105.44
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NC=CC=C1[O-]	REAL300024483859	1	45	-2.0	-106.91	378.00	1.36	-105.55
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=COC(=O)[N-]1	REAL300024484239	1	42	-2.0	-102.29	364.28	-2.23	-104.52
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=C[N-]N=CC1=O	REAL300024484302	0	44	-2.0	-92.53	371.24	-0.64	-93.17
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)N[N-]1	REAL300024484350	0	43	-2.0	-100.23	365.63	-2.09	-102.32
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NC(=O)N[N-]1	REAL300024484376	0	42	-2.0	-100.79	360.41	-2.70	-103.49
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300024484547	0	45	-2.0	-107.12	383.16	-1.93	-109.05
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC=NC=C1[O-]	REAL300024484646	0	45	-2.0	-109.45	382.11	-0.19	-109.64
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300024484648	0	42	-2.0	-106.77	364.16	-2.23	-109.00
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300024484719	0	46	-2.0	-102.58	388.36	-0.38	-102.96
CC1CCC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC([O-])=CS1	REAL300024484785	0	43	-2.0	-115.14	374.38	-0.31	-115.45
CC1CCC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024484901	0	42	-2.0	-97.56	367.00	-2.01	-99.57
CC1CCN(C(=O)C2=COC(=O)[N-]2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024485233	1	45	-2.0	-84.72	380.39	-1.96	-86.68
CC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024485311	0	46	-2.0	-87.69	385.47	-2.00	-89.69
CC1CCN(C(=O)C2=NC(=O)N[N-]2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024485379	0	45	-2.0	-85.44	380.00	-2.66	-88.10
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=COC(=O)[N-]1	REAL300024485735	1	45	-2.0	-94.09	383.73	-3.20	-97.29
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=CC(=O)N[N-]1	REAL300024485787	0	46	-2.0	-90.11	388.56	-2.21	-92.32
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=NC(=O)N[N-]1	REAL300024485797	0	45	-2.0	-92.96	383.15	-3.50	-96.46
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300024485942	0	45	-2.0	-94.56	383.30	-1.73	-96.29
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024486081	0	45	-2.0	-91.51	380.17	-2.06	-93.57
CC(CC(C)NC(=O)C1=NNC(=O)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024486773	0	43	-2.0	-110.36	388.61	-4.69	-115.05
CC(CC(C)NC(=O)C1=CN([O-])C(=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487148	0	45	-2.0	-126.36	398.21	1.38	-124.98
CC(CC(C)NC(=O)C1=CC(=O)NC([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487217	0	45	-2.0	-104.95	398.80	-3.53	-108.48
CC(CC(C)NC(=O)C1=COC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487227	1	41	-2.0	-104.27	372.40	-3.55	-107.82
CCN1[N-]C(C(=O)NC(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024487330	0	48	-2.0	-103.62	426.22	-0.87	-104.49
CC(CC(C)NC(=O)C1=NN(C)C(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487354	0	44	-2.0	-106.91	398.93	-3.31	-110.22
CC(CC(C)NC(=O)C1=C[N-]N=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487401	0	43	-2.0	-90.52	385.90	-1.35	-91.87
CC(CC(C)NC(=O)C1=CC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487455	0	42	-2.0	-99.49	381.67	-3.51	-103.00
CC(CC(C)NC(=O)C(=O)[PH](C)(C)[O-])NC(=O)CSC1=NC(=O)NN1	REAL300024487460	0	47	-2.0	-110.97	411.53	-1.58	-112.55
CC(CC(C)NC(=O)C(=O)[PH](C)(C)[O-])NC(=O)CSC1=NC(=O)[N-]N1	REAL300024487460	1	47	-2.0	-110.97	411.53	-1.58	-112.55
CC(CC(C)NC(=O)C1=CC=CN([O-])C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487480	0	45	-2.0	-105.95	401.83	0.74	-105.21
CC(CC(C)NC(=O)C1=CC(=O)N([O-])C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487508	0	45	-2.0	-127.72	398.61	1.37	-126.35
CC(CC(C)NC(=O)C1=CC=CC(=O)N1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487528	0	45	-2.0	-134.09	395.62	2.36	-131.73
CC1=CC(=O)C(C(=O)NC(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024487755	0	46	-2.0	-104.09	405.72	1.17	-102.92
CC(CC(C)NC(=O)C1=NNC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487764	0	41	-2.0	-103.56	376.16	-4.98	-108.54
CC(CC(C)NC(=O)C1=CC(=O)N(C)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024487921	0	45	-2.0	-102.54	404.49	-1.80	-104.34
CC(CC(C)NC(=O)C1=NC=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488171	1	44	-2.0	-110.78	389.01	0.85	-109.93
CC(CC(C)NC(=O)C1=NNC(=O)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024488260	0	43	-2.0	-110.36	388.61	-4.69	-115.05
CC(CC(C)NC(=O)C1=COC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489081	1	41	-2.0	-104.27	372.40	-3.55	-107.82
CC(CC(C)NC(=O)C1=CC=C([O-])C=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489140	1	45	-2.0	-102.94	403.18	0.11	-102.83
CC(CC(C)NC(=O)C1=CC([O-])=CC(=O)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489143	0	44	-2.0	-108.57	397.49	0.13	-108.44
CC(CC(C)NC(=O)C1=C[N-]N=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489196	0	43	-2.0	-90.52	385.90	-1.35	-91.87
CC(CC(C)NC(=O)C1=CC=CC(F)=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489203	0	45	-2.0	-119.94	402.72	1.70	-118.24
CC(CC(C)NC(=O)C1=CC=CC([O-])=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489253	1	45	-2.0	-116.80	403.04	0.09	-116.71
CC(CC(C)NC(=O)C1=CC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489313	0	42	-2.0	-99.49	381.67	-3.51	-103.00
CC(CC(C)NC(=O)C(=O)[PH](C)(C)[O-])NC(=O)CSC1=NC(=O)NN1	REAL300024489318	0	47	-2.0	-110.97	411.53	-1.58	-112.55
CC(CC(C)NC(=O)C(=O)[PH](C)(C)[O-])NC(=O)CSC1=NC(=O)[N-]N1	REAL300024489318	1	47	-2.0	-110.97	411.53	-1.58	-112.55
CC(CC(C)NC(=O)C1=CC(=O)N([O-])C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489363	0	45	-2.0	-127.72	398.61	1.37	-126.35
CC(CC(C)NC(=O)C1=NC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489377	0	41	-2.0	-98.45	376.27	-4.82	-103.27
CC(CC(C)NC(=O)C1=CC=CN([O-])C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489380	0	45	-2.0	-105.95	401.83	0.74	-105.21
CC(CC(C)NC(=O)C1=CC(F)=CC=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489473	0	45	-2.0	-110.79	396.75	2.50	-108.29
CC(CC(C)NC(=O)C1=CC(F)=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489473	1	45	-2.0	-110.79	396.75	2.50	-108.29
CC1=CC=NC(C(=O)NC(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300024489513	0	47	-2.0	-113.62	414.05	0.61	-113.01
CC1=CC=NC(C(=O)NC(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300024489513	1	47	-2.0	-113.62	414.05	0.61	-113.01
CC(CC(C)NC(=O)C1=C(O)C=CC=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489645	0	45	-2.0	-97.79	405.54	-0.37	-98.16
CC(CC(C)NC(=O)C1=C([O-])C=CC=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489645	1	45	-2.0	-97.79	405.54	-0.37	-98.16
CC1=CC(=O)C(C(=O)NC(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024489727	0	46	-2.0	-104.09	405.72	1.17	-102.92
CC(CC(C)NC(=O)C1=CC=CC(=O)N1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489741	0	45	-2.0	-134.09	395.62	2.36	-131.73
CC(CC(C)NC(=O)C1=NN(C)C(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489782	0	44	-2.0	-106.91	398.93	-3.31	-110.22
CC(CC(C)NC(=O)C1=CC=C(F)C(O)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489889	0	45	-2.0	-108.38	398.72	0.88	-107.50
CC(CC(C)NC(=O)C1=CC=C(F)C([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489889	1	45	-2.0	-108.38	398.72	0.88	-107.50
CC(CC(C)NC(=O)C1=NC(=O)[N-]C(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489931	0	43	-2.0	-99.63	394.80	-6.56	-106.19
CC(CC(C)NC(=O)C1=NC(=O)NC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489931	1	43	-2.0	-95.65	395.44	-5.81	-101.46
CC(CC(C)NC(=O)C1=CN=C(N)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024489963	1	45	-2.0	-96.70	400.05	-2.62	-99.32
CC(CC(C)NC(=O)C1=CC=NC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490031	1	44	-2.0	-113.54	391.78	-0.18	-113.72
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490036	0	41	-2.0	-112.72	372.21	-2.14	-114.86
CC(CC(C)NC(=O)C1=CC(=O)NC([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490134	0	45	-2.0	-104.95	398.80	-3.53	-108.48
CCN1[N-]C(C(=O)NC(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024490170	0	48	-2.0	-103.62	426.22	-0.87	-104.49
CC(CC(C)NC(=O)C1=CC(=O)N(C)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490185	0	45	-2.0	-102.54	404.49	-1.80	-104.34
CC(CC(C)NC(=O)C1=CC=C([O-])C(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490263	1	45	-2.0	-113.33	398.70	0.92	-112.41
CC1=CN=C(C(=O)NC(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300024490314	1	47	-2.0	-115.57	415.17	0.54	-115.03
CC(CC(C)NC(=O)C1=CC([O-])=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490325	0	42	-2.0	-117.27	384.12	-0.26	-117.53
CC(CC(C)NC(=O)C1=CN([O-])C(=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490336	0	45	-2.0	-126.36	398.21	1.38	-124.98
CC(CC(C)NC(=O)C1=NC(=O)[N-]C(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490427	0	43	-2.0	-95.65	395.44	-5.81	-101.46
CC(CC(C)NC(=O)C1=NC(=O)NC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490427	1	43	-2.0	-95.65	395.44	-5.81	-101.46
CC(CC(C)NC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024490515	0	41	-2.0	-112.72	372.21	-2.14	-114.86
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CN(C(=O)C3=COC(=O)[N-]3)C2)C1	REAL300024491247	1	40	-2.0	-86.39	366.09	-2.48	-88.87
CN1N=C(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)[N-]C1=O	REAL300024491334	0	43	-2.0	-93.79	387.28	-1.74	-95.53
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300024491366	0	42	-2.0	-98.15	374.23	0.81	-97.34
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CN(C(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300024491400	0	41	-2.0	-87.22	369.89	-1.94	-89.16
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300024491569	0	40	-2.0	-87.24	364.63	-2.96	-90.20
CN1[N-]C(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)=CC1=O	REAL300024491656	0	44	-2.0	-89.89	392.71	-0.24	-90.13
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=NC=CC=C1[O-])C2	REAL300024491905	1	43	-2.0	-99.45	380.85	1.93	-97.52
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=COC(=O)[N-]1)C2	REAL300024492380	1	40	-2.0	-90.19	364.10	-1.97	-92.16
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300024492450	0	42	-2.0	-92.47	382.95	-0.25	-92.72
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300024492509	0	41	-2.0	-87.62	368.96	-1.79	-89.41
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300024492543	0	40	-2.0	-89.03	364.83	-2.72	-91.75
CN1N=C(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)[N-]C1=O	REAL300024492757	0	43	-2.0	-93.98	386.40	-1.61	-95.59
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=CC=NC=C1[O-])C2	REAL300024492887	0	43	-2.0	-107.27	380.82	0.58	-106.69
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300024492890	0	40	-2.0	-95.79	363.95	-1.72	-97.51
CN1[N-]C(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)=CC1=O	REAL300024492977	0	44	-2.0	-91.42	392.64	-0.12	-91.54
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=CC([O-])=CS1)C2	REAL300024493067	0	41	-2.0	-105.55	376.42	0.08	-105.47
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300024493192	0	40	-2.0	-91.10	365.95	-1.58	-92.68
O=C(CSC1=NNC(=O)[N-]1)N1CCCOC(CNC(=O)C2=COC(=O)[N-]2)C1	REAL300024493489	1	43	-2.0	-89.99	382.46	-4.17	-94.16
O=C(CSC1=NNC(=O)[N-]1)N1CCCOC(CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300024493555	0	44	-2.0	-88.46	387.29	-3.18	-91.64
O=C(CSC1=NNC(=O)[N-]1)N1CCCOC(CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300024493612	0	43	-2.0	-89.57	382.19	-4.54	-94.11
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=COC(=O)[N-]2)CCCO1	REAL300024493922	1	43	-2.0	-90.02	378.77	-2.68	-92.70
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC(=O)N[N-]2)CCCO1	REAL300024493968	0	44	-2.0	-88.25	383.37	-2.89	-91.14
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=NC(=O)N[N-]2)CCCO1	REAL300024493977	0	43	-2.0	-90.25	377.24	-3.28	-93.53
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCCO1	REAL300024494096	0	43	-2.0	-94.99	378.91	-2.97	-97.96
O=C(CSC1=NNC(=O)[N-]1)N1CCCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300024494210	0	43	-2.0	-91.81	382.03	-2.70	-94.51
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300024494975	0	43	-2.0	-92.50	380.49	-4.60	-97.10
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300024495350	0	45	-2.0	-102.34	391.57	1.53	-100.81
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300024495419	0	45	-2.0	-92.65	392.07	-3.37	-96.02
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1=COC(=O)[N-]1	REAL300024495429	1	41	-2.0	-97.32	364.10	-3.53	-100.85
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1=CC(=O)N(CC)[N-]1	REAL300024495532	0	48	-2.0	-93.78	413.47	0.10	-93.68
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1=NN(C)C(=O)[N-]1	REAL300024495556	0	44	-2.0	-95.99	386.18	-2.33	-98.32
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1=C[N-]N=CC1=O	REAL300024495603	0	43	-2.0	-89.23	370.86	0.11	-89.12
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1=CC(=O)N[N-]1	REAL300024495657	0	42	-2.0	-91.38	368.93	-2.54	-93.92
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1=CC=CN([O-])C1=O	REAL300024495682	0	45	-2.0	-114.50	389.16	1.71	-112.79
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300024495710	0	45	-2.0	-104.49	389.64	2.02	-102.47
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300024495730	0	45	-2.0	-110.93	386.71	3.04	-107.89
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1=N[N-]C(C)=CC1=O	REAL300024495957	0	46	-2.0	-94.47	397.65	1.26	-93.21
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1=NNC(=O)[N-]1	REAL300024495966	0	41	-2.0	-94.86	361.12	-3.51	-98.37
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1=CC(=O)N(C)[N-]1	REAL300024496123	0	45	-2.0	-94.16	389.44	-0.33	-94.49
CCN(C(=O)C1=NC=CC=C1[O-])[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496373	1	44	-2.0	-99.11	374.80	2.40	-96.71
CCN(C(=O)C1=NNC(=O)[N-]C1=O)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024496458	0	43	-2.0	-94.43	375.62	-3.67	-98.10
CCN(C(=O)C1=COC(=O)[N-]1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497136	1	41	-2.0	-87.60	359.34	-1.12	-88.72
CCN(C(=O)C1=CC=C([O-])C=C1F)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497193	1	45	-2.0	-94.02	393.00	1.30	-92.72
CCN(C(=O)C1=CC([O-])=CC(=O)O1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497196	0	44	-2.0	-91.40	386.56	0.09	-91.31
CCN(C(=O)C1=C[N-]N=CC1=O)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497244	0	43	-2.0	-89.91	377.63	-0.36	-90.27
CCN(C(=O)C1=CC=CC(F)=C1[O-])[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497249	0	45	-2.0	-103.30	381.59	2.41	-100.89
CCN(C(=O)C1=CC=CC([O-])=C1F)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497292	1	45	-2.0	-101.85	381.89	1.00	-100.85
CCN(C(=O)C1=CC(=O)N[N-]1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497342	0	42	-2.0	-89.53	366.45	-2.12	-91.65
CCN(C(=O)C(=O)[PH](C)(C)[O-])[C@H](C)CNC(=O)CSC1=NC(=O)NN1	REAL300024497346	0	47	-2.0	-95.60	401.37	-1.09	-96.69
CCN(C(=O)C(=O)[PH](C)(C)[O-])[C@H](C)CNC(=O)CSC1=NC(=O)[N-]N1	REAL300024497346	1	47	-2.0	-95.60	401.37	-1.09	-96.69
CCN(C(=O)C1=CC(=O)N([O-])C=C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497384	0	45	-2.0	-105.02	382.91	1.45	-103.57
CCN(C(=O)C1=NC(=O)N[N-]1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497398	0	41	-2.0	-88.76	357.80	-1.88	-90.64
CCN(C(=O)C1=CC=CN([O-])C1=O)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497400	0	45	-2.0	-119.19	393.03	1.76	-117.43
CCN(C(=O)C1=CC(F)=CC=C1O)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497481	0	45	-2.0	-95.77	381.76	2.41	-93.36
CCN(C(=O)C1=CC(F)=CC=C1[O-])[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497481	1	45	-2.0	-95.77	381.76	2.41	-93.36
CCN(C(=O)C1=NC=CC(C)=C1O)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497518	0	47	-2.0	-98.99	396.32	3.02	-95.97
CCN(C(=O)C1=NC=CC(C)=C1[O-])[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497518	1	47	-2.0	-98.99	396.32	3.02	-95.97
CCN(C(=O)C1=N[N-]C(C)=CC1=O)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497703	0	46	-2.0	-91.45	392.77	2.18	-89.27
CCN(C(=O)C1=CC=CC(=O)N1[O-])[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497712	0	45	-2.0	-101.09	381.44	0.76	-100.33
CCN(C(=O)C1=NN(C)C(=O)[N-]1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497745	0	44	-2.0	-95.79	380.46	-1.45	-97.24
CCN(C(=O)C1=CC=C(F)C(O)=C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497838	0	45	-2.0	-99.94	383.14	0.96	-98.98
CCN(C(=O)C1=CC=C(F)C([O-])=C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497838	1	45	-2.0	-99.94	383.14	0.96	-98.98
CCN(C(=O)C1=NC(=O)[N-]C(=O)N1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497873	0	43	-2.0	-91.63	377.15	-3.54	-95.17
CCN(C(=O)C1=NC(=O)NC(=O)[N-]1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497873	1	43	-2.0	-86.00	376.49	-2.64	-88.64
CCN(C(=O)C1=CN=C(N)[N-]C1=O)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497899	1	45	-2.0	-99.40	391.38	-1.71	-101.11
CCN(C(=O)C1=CC=NC=C1[O-])[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497956	0	44	-2.0	-102.19	381.55	-0.42	-102.61
CCN(C(=O)C1=CC(=O)[N-]O1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024497961	0	41	-2.0	-93.84	359.42	-1.69	-95.53
CCN(C(=O)C1=CC(=O)NC([O-])=C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498047	0	45	-2.0	-88.75	394.33	-3.08	-91.83
CCN(C(=O)C1=CC(=O)N(CC)[N-]1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498081	0	48	-2.0	-92.97	411.00	0.53	-92.44
CCN(C(=O)C1=CC(=O)N(C)[N-]1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498092	0	45	-2.0	-91.41	387.05	0.09	-91.32
CCN(C(=O)C1=CC=C([O-])C(F)=C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498154	1	45	-2.0	-95.19	383.11	1.00	-94.19
CCN(C(=O)C1=NC=C(C)C=C1[O-])[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498195	1	47	-2.0	-100.61	396.27	3.04	-97.57
CCN(C(=O)C1=CC([O-])=CS1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498205	0	42	-2.0	-102.52	368.25	-0.31	-102.83
CCN(C(=O)C1=CN([O-])C(=O)C=C1)[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024498214	0	45	-2.0	-98.62	393.96	1.79	-96.83
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024498302	0	43	-2.0	-92.40	380.42	-4.34	-96.74
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024498302	1	43	-2.0	-92.40	380.42	-4.34	-96.74
CCN(C(=O)CSC1=NNC(=O)[N-]1)[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL300024498390	0	41	-2.0	-96.82	363.67	-2.06	-98.88
CN(C[C@H]1CCCCN1C(=O)C1=COC(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498704	0	45	-2.0	-88.82	378.31	-0.16	-88.98
CN(C[C@H]1CCCCN1C(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498704	1	45	-2.0	-88.82	378.31	-0.16	-88.98
CN(C[C@H]1CCCCN1C(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498771	0	46	-2.0	-88.41	382.95	-0.24	-88.65
CN(C[C@H]1CCCCN1C(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024498825	0	45	-2.0	-86.31	378.49	-0.84	-87.15
CN(C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300024499173	1	45	-2.0	-87.38	378.80	-0.16	-87.54
CN(C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300024499225	0	46	-2.0	-90.40	381.35	-0.33	-90.73
CN(C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300024499235	0	45	-2.0	-87.87	378.24	-0.74	-88.61
CN(C[C@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300024499380	0	45	-2.0	-91.90	378.37	-0.04	-91.94
CN(C[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024499512	0	45	-2.0	-93.18	378.19	-0.19	-93.37
O=C(CSC1=NNC(=O)[N-]1)N1CC=C(CCNC(=O)C2=COC(=O)[N-]2)CC1	REAL300024499840	1	43	-2.0	-85.72	388.34	-2.77	-88.49
O=C(CSC1=NNC(=O)[N-]1)N1CC=C(CCNC(=O)C2=CC(=O)N[N-]2)CC1	REAL300024499922	0	44	-2.0	-85.75	393.16	-1.79	-87.54
O=C(CSC1=NNC(=O)[N-]1)N1CC=C(CCNC(=O)C2=NC(=O)N[N-]2)CC1	REAL300024499993	0	43	-2.0	-85.62	387.76	-3.07	-88.69
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300024500362	1	43	-2.0	-86.99	385.37	-1.54	-88.53
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300024500416	0	44	-2.0	-87.22	390.25	-1.56	-88.78
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300024500429	0	43	-2.0	-86.81	385.03	-2.22	-89.03
O=C(CSC1=NNC(=O)[N-]1)NCCC1=CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300024500578	0	43	-2.0	-91.13	384.71	-1.52	-92.65
O=C(CSC1=NNC(=O)[N-]1)N1CC=C(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300024500724	0	43	-2.0	-89.93	387.99	-1.30	-91.23
O=C(CSC1=NNC(=O)[N-]1)NCC1(CCNC(=O)C2=COC(=O)[N-]2)CC1	REAL300024501530	1	42	-2.0	-88.90	387.87	-4.56	-93.46
CN1N=C(C(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)[N-]C1=O	REAL300024501614	0	45	-2.0	-96.39	409.95	-3.36	-99.75
O=C(CSC1=NNC(=O)[N-]1)NCC1(CCNC(=O)C2=C[N-]N=CC2=O)CC1	REAL300024501642	0	44	-2.0	-82.25	396.92	-1.41	-83.66
O=C(CSC1=NNC(=O)[N-]1)NCC1(CCNC(=O)C2=CC(=O)N[N-]2)CC1	REAL300024501676	0	43	-2.0	-89.77	392.70	-3.58	-93.35
O=C(CSC1=NNC(=O)[N-]1)NCC1(CCNC(=O)C2=NC(=O)N[N-]2)CC1	REAL300024501837	0	42	-2.0	-89.10	387.29	-4.86	-93.96
CN1[N-]C(C(=O)NCCC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300024501920	0	46	-2.0	-92.52	415.52	-1.87	-94.39
O=C(CSC1=NNC(=O)[N-]1)NCCC1(CNC(=O)C2=NC=CC=C2[O-])CC1	REAL300024502168	1	45	-2.0	-103.62	403.82	0.07	-103.55
O=C(CSC1=NNC(=O)[N-]1)NCCC1(CNC(=O)C2=COC(=O)[N-]2)CC1	REAL300024502631	1	42	-2.0	-88.97	386.94	-4.38	-93.35
O=C(CSC1=NNC(=O)[N-]1)NCCC1(CNC(=O)C2=C[N-]N=CC2=O)CC1	REAL300024502698	0	44	-2.0	-86.61	394.50	-1.21	-87.82
O=C(CSC1=NNC(=O)[N-]1)NCCC1(CNC(=O)C2=CC(=O)N[N-]2)CC1	REAL300024502755	0	43	-2.0	-89.87	391.76	-3.38	-93.25
O=C(CSC1=NNC(=O)[N-]1)NCCC1(CNC(=O)C2=NC(=O)N[N-]2)CC1	REAL300024502787	0	42	-2.0	-89.11	386.36	-4.67	-93.78
CN1N=C(C(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)[N-]C1=O	REAL300024502990	0	45	-2.0	-96.53	409.08	-3.18	-99.71
O=C(CSC1=NNC(=O)[N-]1)NCCC1(CNC(=O)C2=CC=NC=C2[O-])CC1	REAL300024503108	1	45	-2.0	-108.77	401.90	-0.30	-109.07
O=C(CSC1=NNC(=O)[N-]1)NCCC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300024503110	0	42	-2.0	-93.75	386.51	-2.89	-96.64
CN1[N-]C(C(=O)NCC2(CCNC(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300024503190	0	46	-2.0	-92.66	414.58	-1.67	-94.33
O=C(CSC1=NNC(=O)[N-]1)NCCC1(CNC(=O)C2=CC([O-])=CS2)CC1	REAL300024503274	0	43	-2.0	-98.65	401.14	-1.01	-99.66
O=C(CSC1=NNC(=O)[N-]1)NCC1(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300024503393	0	42	-2.0	-93.41	387.44	-3.09	-96.50
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=COC(=O)[N-]1	REAL300024504047	1	44	-2.0	-90.92	400.40	-3.96	-94.88
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NN(C)C(=O)[N-]1	REAL300024504127	0	47	-2.0	-97.24	422.48	-2.77	-100.01
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[N-]N=CC1=O	REAL300024504152	0	46	-2.0	-83.30	409.45	-0.82	-84.12
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N[N-]1	REAL300024504184	0	45	-2.0	-90.90	405.23	-2.97	-93.87
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)N[N-]1	REAL300024504330	0	44	-2.0	-91.03	399.82	-4.27	-95.30
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300024504405	0	48	-2.0	-93.51	428.04	-1.25	-94.76
CC(CCCCNC(=O)C1=NC=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024504642	1	47	-2.0	-104.77	417.28	0.48	-104.29
CC(CCCCNC(=O)C1=COC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505069	1	44	-2.0	-88.16	400.40	-3.97	-92.13
CC(CCCCNC(=O)C1=C[N-]N=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505130	0	46	-2.0	-81.67	409.45	-0.82	-82.49
CC(CCCCNC(=O)C1=CC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505183	0	45	-2.0	-89.66	405.23	-2.98	-92.64
CC(CCCCNC(=O)C1=NC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505211	0	44	-2.0	-88.52	399.82	-4.27	-92.79
CC(CCCCNC(=O)C1=NN(C)C(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505394	0	47	-2.0	-96.64	422.55	-2.78	-99.42
CC(CCCCNC(=O)C1=CC=NC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505498	1	47	-2.0	-104.89	415.33	0.36	-104.53
CC(CCCCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505500	0	44	-2.0	-93.14	399.97	-2.50	-95.64
CC(CCCCNC(=O)C1=CC(=O)N(C)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505574	0	48	-2.0	-92.55	428.04	-1.27	-93.82
CC(CCCCNC(=O)C1=CC([O-])=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024505649	0	45	-2.0	-99.95	414.46	-0.51	-100.46
CC(CCCCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300024505754	0	44	-2.0	-95.09	399.97	-2.48	-97.57
CC1CN(C(=O)C2=COC(=O)[N-]2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024506620	1	45	-2.0	-87.57	386.24	-1.71	-89.28
CC1CN(C(=O)C2=CC(=O)N[N-]2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024506698	0	46	-2.0	-87.95	391.13	-1.78	-89.73
CC1CN(C(=O)C2=NC(=O)N[N-]2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024506766	0	45	-2.0	-87.95	382.08	-2.14	-90.09
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C1=COC(=O)[N-]1	REAL300024507122	1	45	-2.0	-86.94	385.56	-2.68	-89.62
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C1=CC(=O)N[N-]1	REAL300024507174	0	46	-2.0	-86.92	394.40	-1.96	-88.88
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C1=NC(=O)N[N-]1	REAL300024507184	0	45	-2.0	-86.94	384.98	-2.99	-89.93
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300024507329	0	45	-2.0	-91.58	385.13	-1.20	-92.78
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024507468	0	45	-2.0	-94.04	381.97	-1.56	-95.60
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=COC(=O)[N-]3)[C@@H]2C1	REAL300024508147	1	40	-2.0	-92.38	354.22	-1.88	-94.26
CN1N=C(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)[N-]C1=O	REAL300024508223	0	43	-2.0	-103.72	377.35	-1.45	-105.17
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=C[N-]N=CC3=O)[C@@H]2C1	REAL300024508252	0	42	-2.0	-91.72	373.40	0.00	-91.72
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)N[N-]3)[C@@H]2C1	REAL300024508283	0	41	-2.0	-92.86	360.77	-1.63	-94.49
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=NC(=O)N[N-]3)[C@@H]2C1	REAL300024508427	0	40	-2.0	-97.26	355.50	-2.22	-99.48
CN1[N-]C(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)=CC1=O	REAL300024508497	0	44	-2.0	-95.79	383.59	0.06	-95.73
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=NC=CC=C3[O-])C[C@H]21	REAL300024508746	1	43	-2.0	-104.79	372.44	2.06	-102.73
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=COC(=O)[N-]3)C[C@H]21	REAL300024509221	1	40	-2.0	-103.27	354.06	-1.89	-105.16
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=C[N-]N=CC3=O)C[C@H]21	REAL300024509291	0	42	-2.0	-100.69	373.52	-0.03	-100.72
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=CC(=O)N[N-]3)C[C@H]21	REAL300024509350	0	41	-2.0	-98.44	359.97	-1.64	-100.08
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=NC(=O)N[N-]3)C[C@H]21	REAL300024509384	0	40	-2.0	-100.21	355.55	-2.48	-102.69
CN1N=C(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)[N-]C1=O	REAL300024509598	0	43	-2.0	-105.40	374.41	-1.58	-106.98
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=CC=NC=C3[O-])C[C@H]21	REAL300024509728	0	43	-2.0	-116.18	367.42	0.63	-115.55
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL300024509731	0	40	-2.0	-103.57	353.99	-1.48	-105.05
CN1[N-]C(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@@H]3C2)=CC1=O	REAL300024509818	0	44	-2.0	-100.62	382.71	0.07	-100.55
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=CC([O-])=CS3)C[C@H]21	REAL300024509908	0	41	-2.0	-103.43	366.93	0.29	-103.14
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300024510018	0	40	-2.0	-98.37	354.16	-1.49	-99.86
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024510714	0	39	-2.0	-96.72	367.10	-9.33	-106.05
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024511089	0	41	-2.0	-106.44	377.20	-3.16	-109.60
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024511158	0	41	-2.0	-89.74	378.63	-8.10	-97.84
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C2=COC(=O)[N-]2)C1	REAL300024511168	1	37	-2.0	-88.92	350.71	-8.26	-97.18
CCN1[N-]C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)=CC1=O	REAL300024511271	0	44	-2.0	-92.62	399.12	-4.61	-97.23
CN1N=C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)[N-]C1=O	REAL300024511295	0	40	-2.0	-95.90	371.95	-7.05	-102.95
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C2=C[N-]N=CC2=O)C1	REAL300024511342	0	39	-2.0	-82.45	359.76	-5.12	-87.57
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)N[N-]2)C1	REAL300024511396	0	38	-2.0	-90.61	355.54	-7.26	-97.87
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@H]1O	REAL300024511401	0	43	-2.0	-94.27	394.00	-6.41	-100.68
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CN(C(=O)CSC2=NC(=O)[N-]N2)C[C@H]1O	REAL300024511401	1	43	-2.0	-94.27	394.00	-6.41	-100.68
O=C(CCC1=NC(=O)NN1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511419	0	43	-2.0	-99.29	390.55	-7.60	-106.89
O=C(CCC1=NC(=O)[N-]N1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1O	REAL300024511419	1	43	-2.0	-99.29	390.55	-7.60	-106.89
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024511421	0	41	-2.0	-98.52	375.69	-3.03	-101.55
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024511449	0	41	-2.0	-106.58	377.57	-3.18	-109.76
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024511469	0	41	-2.0	-127.41	375.62	-2.20	-129.61
CC1=CC(=O)C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)=N[N-]1	REAL300024511696	0	42	-2.0	-93.91	383.42	-3.47	-97.38
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C2=NNC(=O)[N-]2)C1	REAL300024511705	0	37	-2.0	-94.45	350.02	-8.73	-103.18
CN1[N-]C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)=CC1=O	REAL300024511862	0	41	-2.0	-92.05	377.47	-5.55	-97.60
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=NC=CC=C2O)C[C@H]1O	REAL300024512112	0	40	-2.0	-107.59	363.78	-3.43	-111.02
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@H]1O	REAL300024512112	1	40	-2.0	-107.59	363.78	-3.43	-111.02
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@H]1O	REAL300024512201	0	39	-2.0	-95.11	362.86	-9.13	-104.24
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1O	REAL300024513022	1	37	-2.0	-86.62	346.53	-7.19	-93.81
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2F)C[C@H]1O	REAL300024513081	1	41	-2.0	-91.91	374.96	-4.07	-95.98
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC([O-])=CC(=O)O2)C[C@H]1O	REAL300024513084	0	40	-2.0	-90.25	372.30	-4.72	-94.97
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)CCC2=NC(=O)[N-]N2)C[C@H]1O	REAL300024513128	1	43	-2.0	-100.31	391.32	-7.59	-107.90
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1O	REAL300024513137	0	39	-2.0	-89.46	365.63	-5.45	-94.91
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=CC(F)=C2[O-])C[C@H]1O	REAL300024513144	0	41	-2.0	-115.69	375.85	-3.17	-118.86
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=CC([O-])=C2F)C[C@H]1O	REAL300024513194	1	41	-2.0	-110.36	376.11	-4.07	-114.43
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1O	REAL300024513254	0	38	-2.0	-91.27	352.13	-7.14	-98.41
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024513259	0	43	-2.0	-93.97	385.28	-6.48	-100.45
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024513259	1	43	-2.0	-93.97	385.28	-6.48	-100.45
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@H]1O	REAL300024513304	0	41	-2.0	-101.93	382.91	-3.36	-105.29
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1O	REAL300024513318	0	37	-2.0	-89.68	346.91	-7.98	-97.66
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@H]1O	REAL300024513321	0	41	-2.0	-121.93	382.08	-3.35	-125.28
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(F)=CC=C2O)C[C@H]1O	REAL300024513414	0	41	-2.0	-105.02	376.00	-3.02	-108.04
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])C[C@H]1O	REAL300024513414	1	41	-2.0	-105.02	376.00	-3.02	-108.04
CC1=CC=NC(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300024513454	0	43	-2.0	-104.70	383.60	-2.66	-107.36
CC1=CC=NC(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024513454	1	43	-2.0	-104.70	383.60	-2.66	-107.36
CC1=CC(=O)C(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024513668	0	42	-2.0	-96.75	380.55	-3.34	-100.09
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@H]1O	REAL300024513682	0	41	-2.0	-123.26	381.90	-3.56	-126.82
CN1N=C(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024513723	0	40	-2.0	-95.57	368.91	-6.89	-102.46
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=C(F)C(O)=C2)C[C@H]1O	REAL300024513830	0	41	-2.0	-107.79	372.70	-4.24	-112.03
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2)C[C@H]1O	REAL300024513830	1	41	-2.0	-107.79	372.70	-4.24	-112.03
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C[C@H]1O	REAL300024513872	0	39	-2.0	-90.49	364.94	-9.63	-100.12
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C[C@H]1O	REAL300024513872	1	39	-2.0	-87.00	365.65	-8.90	-95.90
NC1=NC=C(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024513904	1	41	-2.0	-104.65	380.23	-6.80	-111.45
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=NC=C2[O-])C[C@H]1O	REAL300024513972	0	40	-2.0	-108.51	364.49	-5.06	-113.57
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300024513977	0	37	-2.0	-94.38	347.36	-6.98	-101.36
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@H]1O	REAL300024514075	0	41	-2.0	-90.03	383.03	-8.27	-98.30
CCN1[N-]C(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024514111	0	44	-2.0	-92.38	395.94	-4.43	-96.81
CN1[N-]C(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024514126	0	41	-2.0	-94.24	374.94	-5.43	-99.67
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@H]1O	REAL300024514204	1	41	-2.0	-98.85	372.66	-4.21	-103.06
CC1=CN=C(C(=O)N2C[C@@H](O)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024514255	1	43	-2.0	-106.27	384.71	-2.71	-108.98
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@H]1O	REAL300024514266	0	38	-2.0	-100.62	358.94	-5.16	-105.78
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@H]1O	REAL300024514277	0	41	-2.0	-108.77	382.26	-3.32	-112.09
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C(F)(F)C(F)F)C1	REAL300024514336	0	36	-2.0	-85.92	350.30	-5.08	-91.00
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H]([N-]C(=O)C(F)(F)C(F)F)C1	REAL300024514336	1	36	-2.0	-85.92	350.30	-5.08	-91.00
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024514368	0	39	-2.0	-85.69	368.37	-9.54	-95.23
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024514368	1	39	-2.0	-85.69	368.37	-9.54	-95.23
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024514456	0	37	-2.0	-92.86	349.37	-6.79	-99.65
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=COC(=O)N2)CCCO1	REAL300024514768	0	43	-2.0	-90.02	378.77	-2.68	-92.70
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=COC(=O)[N-]2)CCCO1	REAL300024514768	1	43	-2.0	-90.02	378.77	-2.68	-92.70
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC(=O)N[N-]2)CCCO1	REAL300024514834	0	44	-2.0	-88.25	383.37	-2.89	-91.14
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=NC(=O)N[N-]2)CCCO1	REAL300024514891	0	43	-2.0	-90.25	377.24	-3.28	-93.53
O=C(CSC1=NNC(=O)[N-]1)N1CCCOC(CNC(=O)C2=COC(=O)[N-]2)C1	REAL300024515201	1	43	-2.0	-89.99	382.46	-4.17	-94.16
O=C(CSC1=NNC(=O)[N-]1)N1CCCOC(CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300024515247	0	44	-2.0	-88.46	387.29	-3.18	-91.64
O=C(CSC1=NNC(=O)[N-]1)N1CCCOC(CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300024515256	0	43	-2.0	-89.57	382.19	-4.54	-94.11
O=C(CSC1=NNC(=O)[N-]1)N1CCCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300024515375	0	43	-2.0	-91.81	382.03	-2.70	-94.51
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCCO1	REAL300024515489	0	43	-2.0	-94.99	378.91	-2.97	-97.96
O=C(CSC1=NNC(=O)[N-]1)NC1CC(NC(=O)C2=COC(=O)[N-]2)C12CCC2	REAL300024515818	1	43	-2.0	-90.21	386.49	-3.77	-93.98
O=C(CSC1=NNC(=O)[N-]1)NC1CC(NC(=O)C2=CC(=O)N[N-]2)C12CCC2	REAL300024515900	0	44	-2.0	-88.30	391.32	-2.79	-91.09
O=C(CSC1=NNC(=O)[N-]1)NC1CC(NC(=O)C2=NC(=O)N[N-]2)C12CCC2	REAL300024515971	0	43	-2.0	-85.24	383.75	-4.18	-89.42
O=C(CSC1=NNC(=O)[N-]1)NC1CC(NC(=O)C2=COC(=O)[N-]2)C12CCC2	REAL300024516340	1	43	-2.0	-90.21	386.49	-3.77	-93.98
O=C(CSC1=NNC(=O)[N-]1)NC1CC(NC(=O)C2=CC(=O)N[N-]2)C12CCC2	REAL300024516394	0	44	-2.0	-88.30	391.32	-2.79	-91.09
O=C(CSC1=NNC(=O)[N-]1)NC1CC(NC(=O)C2=NC(=O)N[N-]2)C12CCC2	REAL300024516407	0	43	-2.0	-85.24	383.75	-4.18	-89.42
O=C(CSC1=NNC(=O)[N-]1)NC1CC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300024516556	0	43	-2.0	-89.59	386.06	-2.32	-91.91
O=C(CSC1=NNC(=O)[N-]1)NC1CC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300024516702	0	43	-2.0	-89.59	386.06	-2.32	-91.91
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CCC1N(C(=O)C1=COC(=O)[N-]1)C2	REAL300024517032	1	43	-2.0	-89.19	370.05	-1.79	-90.98
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CCC1N(C(=O)C1=CC(=O)N[N-]1)C2	REAL300024517114	0	44	-2.0	-90.37	374.74	-1.77	-92.14
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CCC1N(C(=O)C1=NC(=O)N[N-]1)C2	REAL300024517185	0	43	-2.0	-89.36	369.69	-2.44	-91.80
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1C(NC(=O)C1=COC(=O)[N-]1)C2	REAL300024517554	1	43	-2.0	-98.69	376.27	-2.70	-101.39
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1C(NC(=O)C1=CC(=O)N[N-]1)C2	REAL300024517608	0	44	-2.0	-92.84	381.10	-1.69	-94.53
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1C(NC(=O)C1=NC(=O)N[N-]1)C2	REAL300024517621	0	43	-2.0	-97.19	375.63	-2.98	-100.17
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300024517770	0	43	-2.0	-97.42	375.85	-1.21	-98.63
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300024517916	0	43	-2.0	-93.19	369.98	-1.60	-94.79
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300024518656	0	41	-2.0	-94.04	375.60	-5.38	-99.42
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CN1C(=O)[N-]NC1=O	REAL300024518704	0	43	-2.0	-97.06	389.82	-3.74	-100.80
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300024519044	0	43	-2.0	-105.46	387.55	0.83	-104.63
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300024519119	0	43	-2.0	-87.43	387.05	-4.16	-91.59
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=COC(=O)[N-]1	REAL300024519130	1	39	-2.0	-86.86	360.14	-4.26	-91.12
CCN1[N-]C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)=CC1=O	REAL300024519235	0	46	-2.0	-91.04	409.50	-0.62	-91.66
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300024519261	0	42	-2.0	-95.25	381.43	-3.12	-98.37
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300024519313	0	41	-2.0	-79.09	368.27	-1.14	-80.23
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300024519371	0	40	-2.0	-87.10	364.92	-3.26	-90.36
C[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@H]1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300024519376	0	45	-2.0	-99.78	399.24	-2.25	-102.03
C[C@@H]1CN(C(=O)CSC2=NC(=O)[N-]N2)C[C@H]1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300024519376	1	45	-2.0	-99.78	399.24	-2.25	-102.03
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC=CN([O-])C1=O	REAL300024519396	0	43	-2.0	-94.98	384.38	0.90	-94.08
CC1SC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)=NC1=O	REAL300024519415	0	42	-2.0	-92.96	391.73	-3.16	-96.12
CC1=C([O-])N=C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)S1	REAL300024519415	1	42	-2.0	-92.96	391.73	-3.16	-96.12
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300024519429	0	43	-2.0	-106.21	387.96	0.80	-105.41
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300024519450	0	43	-2.0	-124.81	384.29	1.74	-123.07
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1=NC([O-])=CS1	REAL300024519551	0	42	-2.0	-114.81	390.67	-3.41	-118.22
CC1=CC(=O)C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)=N[N-]1	REAL300024519689	0	44	-2.0	-90.68	393.61	0.54	-90.14
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300024519699	0	39	-2.0	-86.84	358.70	-4.62	-91.46
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300024519865	0	43	-2.0	-90.14	387.79	-1.54	-91.68
C[C@@H]1CN(C(=O)C2=NC=CC=C2O)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520115	0	42	-2.0	-100.40	373.31	0.56	-99.84
C[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520115	1	42	-2.0	-100.40	373.31	0.56	-99.84
C[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520204	0	41	-2.0	-94.86	372.35	-5.20	-100.06
C[C@@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024520290	0	43	-2.0	-94.69	389.63	-3.78	-98.47
C[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521074	1	39	-2.0	-97.75	356.08	-3.26	-101.01
C[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2F)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521136	1	43	-2.0	-93.74	385.83	-0.08	-93.82
C[C@@H]1CN(C(=O)C2=CC([O-])=CC(=O)O2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521139	0	42	-2.0	-94.65	381.73	-0.72	-95.37
C[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521196	0	41	-2.0	-89.21	375.29	-1.48	-90.69
C[C@@H]1CN(C(=O)C2=CC=CC(F)=C2[O-])C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521203	0	43	-2.0	-114.14	379.77	1.38	-112.76
C[C@@H]1CN(C(=O)C2=CC=CC([O-])=C2F)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521258	1	43	-2.0	-109.47	380.09	-0.23	-109.70
C[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521322	0	40	-2.0	-93.23	360.93	-3.15	-96.38
C[C@@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])C[C@H]1NC(=O)CSC1=NC(=O)NN1	REAL300024521327	0	45	-2.0	-94.64	396.21	-2.34	-96.98
C[C@@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])C[C@H]1NC(=O)CSC1=NC(=O)[N-]N1	REAL300024521327	1	45	-2.0	-94.64	396.21	-2.34	-96.98
C[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521372	0	43	-2.0	-106.01	391.79	0.61	-105.40
C[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521386	0	39	-2.0	-95.74	355.55	-3.88	-99.62
C[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521390	0	43	-2.0	-116.98	385.64	0.95	-116.03
C[C@@H]1CN(C(=O)C2=CC(F)=CC=C2O)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521486	0	43	-2.0	-103.55	379.95	1.39	-102.16
C[C@@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521486	1	43	-2.0	-103.55	379.95	1.39	-102.16
CC1=CC=NC(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300024521527	0	45	-2.0	-100.97	393.69	1.23	-99.74
CC1=CC=NC(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024521527	1	45	-2.0	-100.97	393.69	1.23	-99.74
C[C@@H]1CN(C(=O)CC2=NC([O-])=CS2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521660	0	42	-2.0	-104.70	390.47	-3.43	-108.13
CC1=CC(=O)C(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024521755	0	44	-2.0	-96.19	389.53	0.66	-95.53
C[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521770	0	43	-2.0	-122.24	390.86	0.37	-121.87
C[C@@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521812	0	42	-2.0	-98.59	378.45	-2.97	-101.56
C[C@@H]1CN(C(=O)C2=CC=C(F)C(O)=C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521925	0	43	-2.0	-100.15	383.66	-0.20	-100.35
C[C@@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521925	1	43	-2.0	-100.15	383.66	-0.20	-100.35
C[C@@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521970	0	41	-2.0	-98.81	373.89	-5.57	-104.38
C[C@@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024521970	1	41	-2.0	-92.06	374.56	-4.83	-96.89
C[C@@H]1CN(C(=O)C2=CN=C(N)[N-]C2=O)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522004	1	43	-2.0	-97.57	389.80	-2.83	-100.40
C[C@@H]1CN(C(=O)C2=CC=NC=C2[O-])C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522079	0	42	-2.0	-97.65	374.09	-1.15	-98.80
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522084	0	39	-2.0	-96.49	356.77	-2.96	-99.45
CC1=C([O-])N=C(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024522099	1	42	-2.0	-105.91	387.65	-2.48	-108.39
C[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522190	0	43	-2.0	-91.30	392.43	-4.28	-95.58
CCN1[N-]C(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024522228	0	46	-2.0	-95.04	405.42	-0.49	-95.53
C[C@@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522244	0	43	-2.0	-94.62	383.68	-1.42	-96.04
C[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522324	1	43	-2.0	-97.75	383.62	-0.16	-97.91
CC1=CN=C(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024522379	1	45	-2.0	-103.26	394.20	1.22	-102.04
C[C@@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522391	0	40	-2.0	-99.50	368.27	-1.17	-100.67
C[C@@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024522402	0	43	-2.0	-107.95	381.37	0.23	-107.72
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024522496	0	41	-2.0	-84.55	377.88	-5.62	-90.17
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024522496	1	41	-2.0	-84.55	377.88	-5.62	-90.17
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300024522595	0	39	-2.0	-91.75	359.70	-2.78	-94.53
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=COC(=O)[N-]1	REAL300024523306	1	40	-2.0	-86.75	371.78	-5.89	-92.64
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300024523386	0	43	-2.0	-95.37	394.75	-4.69	-100.06
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300024523411	0	42	-2.0	-80.45	381.63	-2.71	-83.16
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300024523443	0	41	-2.0	-87.03	376.60	-4.89	-91.92
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300024523589	0	40	-2.0	-87.20	371.95	-6.17	-93.37
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300024523664	0	44	-2.0	-89.75	399.36	-3.18	-92.93
CO[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024523901	1	43	-2.0	-103.78	385.33	-1.01	-104.79
CO[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524328	1	40	-2.0	-89.34	369.25	-5.01	-94.35
CO[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524389	0	42	-2.0	-93.27	387.77	-3.10	-96.37
CO[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524442	0	41	-2.0	-90.74	374.24	-4.79	-95.53
CO[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524470	0	40	-2.0	-86.70	368.21	-5.47	-92.17
CO[C@@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524653	0	43	-2.0	-94.38	390.90	-4.54	-98.92
CO[C@@H]1CN(C(=O)C2=CC=NC=C2[O-])C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524757	0	43	-2.0	-99.78	385.34	-2.33	-102.11
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524759	0	40	-2.0	-90.46	368.40	-4.55	-95.01
CO[C@@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524833	0	44	-2.0	-90.51	396.22	-2.99	-93.50
CO[C@@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024524908	0	41	-2.0	-101.17	380.70	-2.78	-103.95
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300024525013	0	40	-2.0	-90.72	371.35	-4.41	-95.13
C[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525739	0	41	-2.0	-94.86	372.35	-5.20	-100.06
C[C@@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024525787	0	43	-2.0	-94.69	389.63	-3.78	-98.47
C[C@@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526127	0	43	-2.0	-107.95	381.37	0.23	-107.72
C[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526202	0	43	-2.0	-91.30	392.43	-4.28	-95.58
C[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526213	1	39	-2.0	-97.75	356.08	-3.26	-101.01
CCN1[N-]C(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024526318	0	46	-2.0	-95.04	405.42	-0.49	-95.53
C[C@@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526344	0	42	-2.0	-98.59	378.45	-2.97	-101.56
C[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526396	0	41	-2.0	-89.21	375.29	-1.48	-90.69
C[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526454	0	40	-2.0	-93.23	360.93	-3.15	-96.38
C[C@@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])C[C@H]1NC(=O)CSC1=NC(=O)NN1	REAL300024526459	0	45	-2.0	-94.64	396.21	-2.34	-96.98
C[C@@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])C[C@H]1NC(=O)CSC1=NC(=O)[N-]N1	REAL300024526459	1	45	-2.0	-94.64	396.21	-2.34	-96.98
C[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526479	0	43	-2.0	-116.98	385.64	0.95	-116.03
CC1SC(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024526498	0	42	-2.0	-105.91	387.65	-2.48	-108.39
CC1=C([O-])N=C(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024526498	1	42	-2.0	-105.91	387.65	-2.48	-108.39
C[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526512	0	43	-2.0	-106.01	391.79	0.61	-105.40
C[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526533	0	43	-2.0	-122.24	390.86	0.37	-121.87
C[C@@H]1CN(C(=O)CC2=NC([O-])=CS2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526634	0	42	-2.0	-104.70	390.47	-3.43	-108.13
CC1=CC(=O)C(C(=O)N2C[C@@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024526772	0	44	-2.0	-96.19	389.53	0.66	-95.53
C[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526782	0	39	-2.0	-95.74	355.55	-3.88	-99.62
C[C@@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024526948	0	43	-2.0	-94.62	383.68	-1.42	-96.04
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=NC=CC=C1[O-]	REAL300024527198	1	42	-2.0	-100.14	377.01	0.16	-99.98
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300024527287	0	41	-2.0	-94.04	375.60	-5.38	-99.42
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CN1C(=O)[N-]NC1=O	REAL300024527373	0	43	-2.0	-97.06	389.82	-3.74	-100.80
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=COC(=O)[N-]1	REAL300024528157	1	39	-2.0	-86.86	360.14	-4.26	-91.12
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC=C([O-])C=C1F	REAL300024528219	1	43	-2.0	-92.06	386.44	0.37	-91.69
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC([O-])=CC(=O)O1	REAL300024528222	0	42	-2.0	-88.36	385.25	-0.49	-88.85
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300024528279	0	41	-2.0	-79.09	368.27	-1.14	-80.23
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC=CC(F)=C1[O-]	REAL300024528286	0	43	-2.0	-109.95	385.26	1.88	-108.07
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC=CC([O-])=C1F	REAL300024528341	1	43	-2.0	-107.32	385.58	0.27	-107.05
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300024528405	0	40	-2.0	-87.10	364.92	-3.26	-90.36
C[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@H]1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300024528410	0	45	-2.0	-99.78	399.24	-2.25	-102.03
C[C@@H]1CN(C(=O)CSC2=NC(=O)[N-]N2)C[C@H]1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300024528410	1	45	-2.0	-99.78	399.24	-2.25	-102.03
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300024528455	0	43	-2.0	-106.21	387.96	0.80	-105.41
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300024528469	0	39	-2.0	-86.84	358.70	-4.62	-91.46
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC=CN([O-])C1=O	REAL300024528473	0	43	-2.0	-94.98	384.38	0.90	-94.08
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(F)=CC=C1O	REAL300024528569	0	43	-2.0	-96.47	386.18	1.95	-94.52
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(F)=CC=C1[O-]	REAL300024528569	1	43	-2.0	-96.47	386.18	1.95	-94.52
CC1=CC=NC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)=C1O	REAL300024528610	0	45	-2.0	-99.93	397.44	0.87	-99.06
CC1=CC=NC(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)=C1[O-]	REAL300024528610	1	45	-2.0	-99.93	397.44	0.87	-99.06
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1=NC([O-])=CS1	REAL300024528743	0	42	-2.0	-114.81	390.67	-3.41	-118.22
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=C(O)C=CC=C1F	REAL300024528753	0	43	-2.0	-93.89	390.70	0.17	-93.72
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=C([O-])C=CC=C1F	REAL300024528753	1	43	-2.0	-93.89	390.70	0.17	-93.72
CC1=CC(=O)C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)=N[N-]1	REAL300024528838	0	44	-2.0	-90.68	393.61	0.54	-90.14
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300024528853	0	43	-2.0	-124.81	384.29	1.74	-123.07
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300024528895	0	42	-2.0	-95.25	381.43	-3.12	-98.37
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC=C(F)C(O)=C1	REAL300024529008	0	43	-2.0	-101.51	388.16	0.31	-101.20
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC=C(F)C([O-])=C1	REAL300024529008	1	43	-2.0	-101.51	388.16	0.31	-101.20
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024529053	0	41	-2.0	-90.08	378.08	-6.32	-96.40
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024529053	1	41	-2.0	-84.55	377.88	-5.62	-90.17
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CN=C(N)[N-]C1=O	REAL300024529087	1	43	-2.0	-85.59	383.31	-2.36	-87.95
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC=NC=C1[O-]	REAL300024529162	1	42	-2.0	-99.68	375.01	0.07	-99.61
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300024529167	0	39	-2.0	-91.75	359.70	-2.78	-94.53
CC1=C([O-])N=C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)S1	REAL300024529182	1	42	-2.0	-92.96	391.73	-3.16	-96.12
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300024529273	0	43	-2.0	-87.43	387.05	-4.16	-91.59
CCN1[N-]C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)=CC1=O	REAL300024529311	0	46	-2.0	-91.04	409.50	-0.62	-91.66
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300024529327	0	43	-2.0	-90.14	387.79	-1.54	-91.68
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300024529407	1	43	-2.0	-94.34	388.13	0.33	-94.01
CC1=CN=C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C([O-])=C1	REAL300024529462	1	45	-2.0	-101.59	398.46	0.80	-100.79
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC([O-])=CS1	REAL300024529474	0	40	-2.0	-97.53	374.18	-0.82	-98.35
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300024529485	0	43	-2.0	-105.46	387.55	0.83	-104.63
C[C@@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024529579	0	41	-2.0	-92.06	374.56	-4.83	-96.89
C[C@@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024529579	1	41	-2.0	-92.06	374.56	-4.83	-96.89
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024529678	0	39	-2.0	-96.49	356.77	-2.96	-99.45
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=NNC(=O)[N-]C2=O)[C@@H](O)C1	REAL300024530394	0	39	-2.0	-97.34	366.12	-9.02	-106.36
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=CN([O-])C(=O)C=C2)[C@@H](O)C1	REAL300024530769	0	41	-2.0	-107.70	377.17	-2.87	-110.57
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=CC(=O)NC([O-])=C2)[C@@H](O)C1	REAL300024530838	0	41	-2.0	-89.55	375.96	-7.81	-97.36
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=COC(=O)[N-]2)[C@@H](O)C1	REAL300024530848	1	37	-2.0	-91.65	348.83	-7.97	-99.62
CCN1[N-]C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)=CC1=O	REAL300024530951	0	44	-2.0	-94.34	398.21	-4.34	-98.68
CN1N=C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)[N-]C1=O	REAL300024530975	0	40	-2.0	-100.16	371.79	-6.74	-106.90
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=C[N-]N=CC2=O)[C@@H](O)C1	REAL300024531022	0	39	-2.0	-83.91	357.87	-4.81	-88.72
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=CC(=O)N[N-]2)[C@@H](O)C1	REAL300024531076	0	38	-2.0	-94.05	354.56	-6.95	-101.00
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@@H]1O	REAL300024531081	0	43	-2.0	-93.49	392.26	-6.14	-99.63
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CN(C(=O)CSC2=NC(=O)[N-]N2)C[C@@H]1O	REAL300024531081	1	43	-2.0	-93.49	392.26	-6.14	-99.63
O=C(CCC1=NC(=O)NN1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531099	0	43	-2.0	-100.60	388.78	-7.31	-107.91
O=C(CCC1=NC(=O)[N-]N1)N[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1O	REAL300024531099	1	43	-2.0	-100.60	388.78	-7.31	-107.91
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=CC=CN([O-])C2=O)[C@@H](O)C1	REAL300024531101	0	41	-2.0	-104.03	373.26	-2.77	-106.80
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=CC(=O)N([O-])C=C2)[C@@H](O)C1	REAL300024531129	0	41	-2.0	-107.27	375.96	-2.94	-110.21
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=CC=CC(=O)N2[O-])[C@@H](O)C1	REAL300024531149	0	41	-2.0	-122.12	373.03	-1.93	-124.05
CC1=CC(=O)C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)=N[N-]1	REAL300024531376	0	42	-2.0	-95.71	381.74	-3.19	-98.90
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=NNC(=O)[N-]2)[C@@H](O)C1	REAL300024531385	0	37	-2.0	-94.39	348.13	-8.42	-102.81
CN1[N-]C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2O)=CC1=O	REAL300024531542	0	41	-2.0	-94.20	375.76	-5.29	-99.49
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@@H]1O	REAL300024531792	1	40	-2.0	-105.01	362.31	-3.08	-108.09
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@@H]1O	REAL300024531881	0	39	-2.0	-95.64	361.92	-8.87	-104.51
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@@H]1O	REAL300024532702	1	37	-2.0	-86.84	345.59	-6.91	-93.75
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2F)C[C@@H]1O	REAL300024532761	1	41	-2.0	-96.66	375.47	-3.77	-100.43
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC([O-])=CC(=O)O2)C[C@@H]1O	REAL300024532764	0	40	-2.0	-90.51	371.33	-4.41	-94.92
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)CCC2=NC(=O)[N-]N2)C[C@@H]1O	REAL300024532808	1	43	-2.0	-98.28	388.78	-7.33	-105.61
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@@H]1O	REAL300024532817	0	39	-2.0	-91.69	364.10	-5.23	-96.92
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=CC(F)=C2[O-])C[C@@H]1O	REAL300024532824	0	41	-2.0	-107.56	373.58	-2.50	-110.06
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=CC([O-])=C2F)C[C@@H]1O	REAL300024532874	1	41	-2.0	-103.65	373.82	-3.81	-107.46
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@@H]1O	REAL300024532934	0	38	-2.0	-89.05	350.43	-6.80	-95.85
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H](NC(=O)CSC2=NC(=O)NN2)[C@@H](O)C1	REAL300024532939	0	43	-2.0	-100.25	390.03	-6.23	-106.48
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H](NC(=O)CSC2=NC(=O)[N-]N2)[C@@H](O)C1	REAL300024532939	1	43	-2.0	-100.25	390.03	-6.23	-106.48
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@@H]1O	REAL300024532984	0	41	-2.0	-101.26	381.19	-3.08	-104.34
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@@H]1O	REAL300024532998	0	37	-2.0	-87.21	345.21	-7.54	-94.75
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@@H]1O	REAL300024533001	0	41	-2.0	-117.62	380.50	-3.11	-120.73
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(F)=CC=C2O)C[C@@H]1O	REAL300024533094	0	41	-2.0	-102.98	374.28	-2.89	-105.87
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])C[C@@H]1O	REAL300024533094	1	41	-2.0	-102.98	374.28	-2.89	-105.87
CC1=CC=NC(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)=C1O	REAL300024533134	0	43	-2.0	-108.24	382.59	-2.52	-110.76
CC1=CC=NC(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)=C1[O-]	REAL300024533134	1	43	-2.0	-108.24	382.59	-2.52	-110.76
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2F)C[C@@H]1O	REAL300024533266	0	41	-2.0	-101.25	380.45	-3.55	-104.80
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=C(F)C=C2[O-])C[C@@H]1O	REAL300024533267	0	41	-2.0	-108.83	375.23	-2.90	-111.73
CC1=CC(=O)C(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)=N[N-]1	REAL300024533348	0	42	-2.0	-96.26	378.44	-3.02	-99.28
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@@H]1O	REAL300024533362	0	41	-2.0	-118.14	380.26	-3.31	-121.45
CN1N=C(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)[N-]C1=O	REAL300024533403	0	40	-2.0	-97.54	367.96	-6.70	-104.24
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2)C[C@@H]1O	REAL300024533510	1	41	-2.0	-100.45	371.59	-3.93	-104.38
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C[C@@H]1O	REAL300024533552	0	39	-2.0	-85.18	363.78	-8.61	-93.79
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C[C@@H]1O	REAL300024533552	1	39	-2.0	-85.18	363.78	-8.61	-93.79
NC1=NC=C(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C(=O)N1	REAL300024533584	0	41	-2.0	-97.46	379.11	-6.54	-104.00
NC1=NC=C(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C(=O)[N-]1	REAL300024533584	1	41	-2.0	-97.46	379.11	-6.54	-104.00
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1O	REAL300024533657	0	37	-2.0	-92.42	345.45	-6.68	-99.10
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@@H]1O	REAL300024533755	0	41	-2.0	-88.06	381.12	-7.99	-96.05
CCN1[N-]C(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)=CC1=O	REAL300024533791	0	44	-2.0	-92.80	394.99	-4.16	-96.96
CN1[N-]C(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)=CC1=O	REAL300024533806	0	41	-2.0	-91.99	373.25	-5.09	-97.08
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=C(O)C(F)=C2)C[C@@H]1O	REAL300024533884	0	41	-2.0	-96.70	371.55	-3.89	-100.59
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@@H]1O	REAL300024533884	1	41	-2.0	-96.70	371.55	-3.89	-100.59
CC1=CN=C(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C(O)=C1	REAL300024533935	0	43	-2.0	-106.44	383.77	-2.45	-108.89
CC1=CN=C(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](O)C2)C([O-])=C1	REAL300024533935	1	43	-2.0	-106.44	383.77	-2.45	-108.89
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@@H]1O	REAL300024533946	0	38	-2.0	-102.19	357.00	-4.90	-107.09
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@@H]1O	REAL300024533957	0	41	-2.0	-105.47	381.34	-3.08	-108.55
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]([N-]C(=O)C(F)(F)C(F)F)[C@@H](O)C1	REAL300024534016	1	36	-2.0	-86.02	347.46	-4.85	-90.87
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)[C@@H](O)C1	REAL300024534048	0	39	-2.0	-93.65	366.75	-10.01	-103.66
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)[C@@H](O)C1	REAL300024534048	1	39	-2.0	-87.11	367.38	-9.26	-96.37
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](O)C1	REAL300024534136	0	37	-2.0	-95.05	347.69	-6.50	-101.55
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2CCN(C(=O)C3=COC(=O)[N-]3)C[C@@H]21	REAL300024534495	1	43	-2.0	-104.33	368.59	-0.65	-104.98
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2CCN(C(=O)C3=CC(=O)N[N-]3)C[C@@H]21	REAL300024534577	0	44	-2.0	-105.48	368.57	-0.30	-105.78
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2CCN(C(=O)C3=NC(=O)N[N-]3)C[C@@H]21	REAL300024534648	0	43	-2.0	-100.35	363.27	-0.77	-101.12
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CCN(C(=O)C3=COC(=O)[N-]3)[C@H]2C1	REAL300024534981	1	43	-2.0	-102.45	363.70	-0.46	-102.91
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CCN(C(=O)C3=CC(=O)N[N-]3)[C@H]2C1	REAL300024535033	0	44	-2.0	-95.72	373.94	-0.99	-96.71
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CCN(C(=O)C3=NC(=O)N[N-]3)[C@H]2C1	REAL300024535043	0	43	-2.0	-104.36	362.72	-0.88	-105.24
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300024535163	0	43	-2.0	-109.80	363.65	0.03	-109.77
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300024535293	0	43	-2.0	-104.91	368.40	-0.74	-105.65
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C1=COC(=O)[N-]1	REAL300024535984	1	42	-2.0	-90.63	377.30	-4.51	-95.14
CN1N=C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024536068	0	45	-2.0	-93.29	399.46	-3.33	-96.62
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300024536096	0	44	-2.0	-82.56	386.36	-1.37	-83.93
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300024536130	0	43	-2.0	-87.84	382.13	-3.52	-91.36
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300024536291	0	42	-2.0	-89.76	376.72	-4.82	-94.58
CN1[N-]C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024536374	0	46	-2.0	-90.10	404.95	-1.81	-91.91
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C1=NC=CC=C1[O-]	REAL300024536622	1	45	-2.0	-97.24	394.18	-0.09	-97.33
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C1=COC(=O)[N-]1	REAL300024537085	1	42	-2.0	-90.63	377.30	-4.51	-95.14
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300024537152	0	44	-2.0	-82.56	386.36	-1.37	-83.93
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300024537209	0	43	-2.0	-87.84	382.13	-3.52	-91.36
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300024537241	0	42	-2.0	-89.76	376.72	-4.82	-94.58
CN1N=C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024537444	0	45	-2.0	-93.29	399.46	-3.33	-96.62
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC=NC=C1[O-]	REAL300024537562	1	45	-2.0	-95.74	392.23	-0.20	-95.94
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300024537564	0	42	-2.0	-92.72	376.87	-3.03	-95.75
CN1[N-]C(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024537644	0	46	-2.0	-90.10	404.95	-1.81	-91.91
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC([O-])=CS1	REAL300024537728	0	43	-2.0	-95.79	391.35	-1.06	-96.85
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300024537847	0	42	-2.0	-92.72	376.87	-3.03	-95.75
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](CNC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024538582	0	41	-2.0	-91.69	380.22	-6.32	-98.01
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](CNC(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024538630	0	43	-2.0	-93.34	394.35	-4.67	-98.01
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O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](CNC(=O)C2=COC(=O)[N-]2)C1	REAL300024539056	1	39	-2.0	-87.91	363.84	-5.25	-93.16
CCN1[N-]C(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024539161	0	46	-2.0	-90.53	413.20	-1.62	-92.15
CN1N=C(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024539187	0	42	-2.0	-93.56	386.00	-4.05	-97.61
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C[PH](C)([O-])C(=O)C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024539302	0	45	-2.0	-90.70	401.65	-3.44	-94.14
C[PH](C)([O-])C(=O)C(=O)NC[C@H]1C[C@@H](NC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024539302	1	45	-2.0	-90.70	401.65	-3.44	-94.14
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CC1SC(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024539341	0	42	-2.0	-94.48	395.49	-4.15	-98.63
CC1=C([O-])N=C(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024539341	1	42	-2.0	-94.48	395.49	-4.15	-98.63
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CN1[N-]C(C(=O)NC[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024539791	0	43	-2.0	-89.74	391.40	-2.56	-92.30
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O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024540130	0	41	-2.0	-92.01	380.22	-6.33	-98.34
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024540216	0	43	-2.0	-93.73	394.39	-4.68	-98.41
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)C2=COC(=O)[N-]2)C1	REAL300024541000	1	39	-2.0	-87.80	363.84	-5.25	-93.05
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](NC(=O)C2=CC=C([O-])C=C2F)C1	REAL300024541062	1	43	-2.0	-91.60	390.16	-0.65	-92.25
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O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](NC(=O)C2=CC=CC(F)=C2[O-])C1	REAL300024541129	0	43	-2.0	-105.10	389.70	0.94	-104.16
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C[PH](C)([O-])C(=O)C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024541253	0	45	-2.0	-91.15	407.27	-3.41	-94.56
C[PH](C)([O-])C(=O)C(=O)N[C@H]1C[C@@H](CNC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024541253	1	45	-2.0	-91.15	407.27	-3.41	-94.56
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](NC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024541298	0	43	-2.0	-104.85	391.73	-0.20	-105.05
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)C2=NC(=O)N[N-]2)C1	REAL300024541312	0	39	-2.0	-87.62	363.26	-5.55	-93.17
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](NC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024541316	0	43	-2.0	-99.56	389.00	-0.03	-99.59
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](NC(=O)C2=CC(F)=CC=C2O)C1	REAL300024541412	0	43	-2.0	-96.30	389.96	0.93	-95.37
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](NC(=O)C2=CC(F)=CC=C2[O-])C1	REAL300024541412	1	43	-2.0	-96.30	389.96	0.93	-95.37
CC1=CC=NC(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300024541453	0	45	-2.0	-99.57	401.11	-0.15	-99.72
CC1=CC=NC(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024541453	1	45	-2.0	-99.57	401.11	-0.15	-99.72
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](NC(=O)CC2=NC([O-])=CS2)C1	REAL300024541586	0	42	-2.0	-107.56	395.18	-4.34	-111.90
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](NC(=O)C2=C(O)C=CC=C2F)C1	REAL300024541596	0	43	-2.0	-96.64	395.39	-0.77	-97.41
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](NC(=O)C2=C([O-])C=CC=C2F)C1	REAL300024541596	1	43	-2.0	-96.64	395.39	-0.77	-97.41
CC1=CC(=O)C(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024541681	0	44	-2.0	-91.16	397.42	-0.47	-91.63
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](NC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024541696	0	43	-2.0	-118.89	388.75	0.80	-118.09
CN1N=C(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024541738	0	42	-2.0	-93.82	386.04	-4.05	-97.87
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](NC(=O)C2=CC=C(F)C(O)=C2)C1	REAL300024541851	0	43	-2.0	-91.80	391.93	-0.70	-92.50
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](NC(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300024541851	1	43	-2.0	-91.80	391.93	-0.70	-92.50
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024541896	0	41	-2.0	-90.44	381.78	-7.30	-97.74
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024541896	1	41	-2.0	-84.41	382.43	-6.55	-90.96
NC1=NC=C(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024541930	1	43	-2.0	-87.45	387.16	-3.38	-90.83
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](NC(=O)C2=CC=NC=C2[O-])C1	REAL300024542005	1	42	-2.0	-99.23	378.77	-0.94	-100.17
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024542010	0	39	-2.0	-91.54	363.40	-3.77	-95.31
CC1=C([O-])N=C(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024542025	1	42	-2.0	-94.27	395.26	-4.14	-98.41
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024542116	0	43	-2.0	-86.73	391.78	-5.09	-91.82
CCN1[N-]C(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024542154	0	46	-2.0	-90.90	413.25	-1.62	-92.52
CN1[N-]C(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024542170	0	43	-2.0	-89.96	391.40	-2.55	-92.51
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](NC(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300024542250	1	43	-2.0	-91.71	391.83	-0.65	-92.36
CC1=CN=C(C(=O)N[C@H]2C[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024542305	1	45	-2.0	-101.22	402.16	-0.20	-101.42
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](NC(=O)C2=CC([O-])=CS2)C1	REAL300024542317	0	40	-2.0	-96.75	377.89	-1.81	-98.56
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](NC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024542328	0	43	-2.0	-104.37	391.30	-0.17	-104.54
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](CNC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024542422	0	41	-2.0	-84.58	382.48	-6.56	-91.14
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](CNC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024542422	1	41	-2.0	-84.58	382.48	-6.56	-91.14
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300024542521	0	39	-2.0	-91.60	363.46	-3.79	-95.39
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024543267	0	41	-2.0	-91.77	380.15	-6.28	-98.05
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024543315	0	43	-2.0	-92.85	394.21	-4.62	-97.47
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024543655	0	43	-2.0	-104.12	391.16	-0.15	-104.27
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024543730	0	43	-2.0	-87.29	391.63	-5.05	-92.34
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=COC(=O)[N-]2)C1	REAL300024543741	1	39	-2.0	-88.60	363.69	-5.21	-93.81
CCN1[N-]C(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024543846	0	46	-2.0	-90.56	413.06	-1.58	-92.14
CN1N=C(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024543872	0	42	-2.0	-93.51	385.77	-4.01	-97.52
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=C[N-]N=CC2=O)C1	REAL300024543924	0	41	-2.0	-80.72	372.74	-2.06	-82.78
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300024543982	0	40	-2.0	-87.43	368.53	-4.23	-91.66
C[PH](C)([O-])C(=O)C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024543987	0	45	-2.0	-91.53	401.51	-3.40	-94.93
C[PH](C)([O-])C(=O)C(=O)NC[C@H]1C[C@H](NC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024543987	1	45	-2.0	-91.53	401.51	-3.40	-94.93
O=C(CCC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544005	0	45	-2.0	-91.42	404.54	-4.02	-95.44
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024544007	0	43	-2.0	-100.81	388.80	0.03	-100.78
CC1SC(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024544026	0	42	-2.0	-95.43	395.30	-4.10	-99.53
CC1=C([O-])N=C(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024544026	1	42	-2.0	-95.43	395.30	-4.10	-99.53
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024544040	0	43	-2.0	-104.77	391.59	-0.16	-104.93
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024544061	0	43	-2.0	-117.35	388.61	0.86	-116.49
O=C(CC1=NC([O-])=CS1)NC[C@H]1C[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024544162	0	42	-2.0	-105.69	395.05	-4.30	-109.99
CC1=CC(=O)C(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024544300	0	44	-2.0	-90.81	397.29	-0.42	-91.23
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300024544310	0	39	-2.0	-88.22	363.14	-5.51	-93.73
CN1[N-]C(C(=O)NC[C@H]2C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024544476	0	43	-2.0	-89.84	391.26	-2.52	-92.36
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@@H](NC(=O)C2=NC=CC=C2[O-])C1	REAL300024544726	1	42	-2.0	-99.30	380.57	-0.78	-100.08
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CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300024554582	1	45	-2.0	-97.79	388.99	1.38	-96.41
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300024554962	1	42	-2.0	-85.20	372.24	-2.36	-87.56
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300024555025	0	44	-2.0	-78.98	375.01	-0.76	-79.74
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300024555073	0	43	-2.0	-85.05	378.40	-2.33	-87.38
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300024555099	0	42	-2.0	-84.79	371.83	-2.98	-87.77
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300024555270	0	45	-2.0	-91.20	394.50	-2.07	-93.27
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=NC=C1[O-]	REAL300024555369	0	45	-2.0	-95.27	380.52	0.09	-95.18
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300024555371	0	42	-2.0	-88.62	372.09	-2.13	-90.75
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300024555442	0	46	-2.0	-87.47	399.85	-0.56	-88.03
CC[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC([O-])=CS1	REAL300024555508	0	43	-2.0	-95.54	378.84	-0.60	-96.14
CC[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024555624	0	42	-2.0	-87.88	375.32	-1.96	-89.84
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2CN(C(=O)C3=COC(=O)[N-]3)C[C@@H]2C1	REAL300024556270	1	43	-2.0	-93.56	368.67	-1.38	-94.94
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)N[N-]3)C[C@@H]2C1	REAL300024556352	0	44	-2.0	-97.38	374.96	-0.95	-98.33
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2CN(C(=O)C3=NC(=O)N[N-]3)C[C@@H]2C1	REAL300024556423	0	43	-2.0	-93.03	368.26	-2.00	-95.03
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CCN(C(=O)C3=COC(=O)[N-]3)C[C@H]2C1	REAL300024556792	1	43	-2.0	-89.68	368.82	-1.03	-90.71
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CCN(C(=O)C3=CC(=O)N[N-]3)C[C@H]2C1	REAL300024556846	0	44	-2.0	-89.61	373.89	-1.17	-90.78
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CCN(C(=O)C3=NC(=O)N[N-]3)C[C@H]2C1	REAL300024556859	0	43	-2.0	-90.85	369.77	-1.54	-92.39
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300024557008	0	43	-2.0	-94.94	368.92	-1.12	-96.06
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300024557154	0	43	-2.0	-102.49	370.12	-0.82	-103.31
CN(CCOCCN(C)C(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024557433	0	46	-2.0	-88.64	401.96	-0.86	-89.50
CN(CCOCCN(C)C(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024557752	0	46	-2.0	-88.64	401.96	-0.86	-89.50
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024558264	1	45	-2.0	-87.57	369.87	-0.44	-88.01
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024558342	0	46	-2.0	-87.54	374.73	-1.19	-88.73
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024558410	0	45	-2.0	-87.27	369.63	-1.50	-88.77
O=C(CSC1=NNC(=O)[N-]1)N1CCCCCC(NC(=O)C2=COC(=O)[N-]2)C1	REAL300024558766	1	45	-2.0	-85.47	376.07	-2.42	-87.89
O=C(CSC1=NNC(=O)[N-]1)N1CCCCCC(NC(=O)C2=CC(=O)N[N-]2)C1	REAL300024558818	0	46	-2.0	-84.90	380.90	-1.45	-86.35
O=C(CSC1=NNC(=O)[N-]1)N1CCCCCC(NC(=O)C2=NC(=O)N[N-]2)C1	REAL300024558828	0	45	-2.0	-85.11	375.50	-2.74	-87.85
O=C(CSC1=NNC(=O)[N-]1)N1CCCCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024558973	0	45	-2.0	-89.29	375.64	-0.96	-90.25
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024559112	0	45	-2.0	-90.93	369.92	-1.33	-92.26
CN(C[C@@H]1CCCCN1C(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559397	1	45	-2.0	-88.75	378.51	-0.17	-88.92
CN(C[C@@H]1CCCCN1C(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559464	0	46	-2.0	-87.38	380.86	-0.37	-87.75
CN(C[C@@H]1CCCCN1C(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024559518	0	45	-2.0	-87.06	377.14	-0.81	-87.87
CN(C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300024559866	1	45	-2.0	-88.86	377.08	-0.36	-89.22
CN(C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300024559918	0	46	-2.0	-90.88	381.83	-0.36	-91.24
CN(C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300024559928	0	45	-2.0	-88.18	378.59	-0.81	-88.99
CN(C[C@@H]1CCCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300024560073	0	45	-2.0	-92.69	378.92	-0.13	-92.82
CN(C[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024560205	0	45	-2.0	-92.50	376.28	-0.33	-92.83
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=COC(=O)[N-]2)C(O)C1	REAL300024562114	1	40	-2.0	-87.59	363.82	-7.37	-94.96
CN1N=C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)[N-]C1=O	REAL300024562194	0	43	-2.0	-93.27	381.74	-5.83	-99.10
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=C[N-]N=CC2=O)C(O)C1	REAL300024562219	0	42	-2.0	-80.95	371.18	-4.10	-85.05
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC(=O)N[N-]2)C(O)C1	REAL300024562251	0	41	-2.0	-87.07	364.42	-6.03	-93.10
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=NC(=O)N[N-]2)C(O)C1	REAL300024562397	0	40	-2.0	-87.26	363.24	-7.68	-94.94
CN1[N-]C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2O)=CC1=O	REAL300024562472	0	44	-2.0	-89.63	391.38	-4.68	-94.31
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=NC=CC=C2[O-])CC1O	REAL300024562709	1	43	-2.0	-98.57	377.72	-2.58	-101.15
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=COC(=O)[N-]2)CC1O	REAL300024563136	1	40	-2.0	-87.12	360.50	-6.15	-93.27
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=C[N-]N=CC2=O)CC1O	REAL300024563197	0	42	-2.0	-82.78	373.30	-4.77	-87.55
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1O	REAL300024563250	0	41	-2.0	-85.75	365.34	-6.23	-91.98
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=NC(=O)N[N-]2)CC1O	REAL300024563278	0	40	-2.0	-83.18	360.37	-6.85	-90.03
CN1N=C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)[N-]C1=O	REAL300024563461	0	43	-2.0	-91.84	382.90	-6.06	-97.90
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=NC=C2[O-])CC1O	REAL300024563565	0	43	-2.0	-94.46	376.15	-4.47	-98.93
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1O	REAL300024563567	0	40	-2.0	-88.55	360.53	-6.13	-94.68
CN1[N-]C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C(O)C2)=CC1=O	REAL300024563641	0	44	-2.0	-87.05	388.36	-4.51	-91.56
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC([O-])=CS2)CC1O	REAL300024563716	0	41	-2.0	-97.57	373.33	-4.24	-101.81
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(O)C1	REAL300024563821	0	40	-2.0	-90.75	363.39	-5.90	-96.65
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024564549	0	41	-2.0	-91.80	380.16	-6.28	-98.08
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024564597	0	43	-2.0	-93.19	394.26	-4.63	-97.82
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024564937	0	43	-2.0	-104.12	391.23	-0.15	-104.27
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024565012	0	43	-2.0	-87.38	391.69	-5.05	-92.43
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=COC(=O)[N-]2)C1	REAL300024565023	1	39	-2.0	-88.77	363.76	-5.21	-93.98
CCN1[N-]C(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024565128	0	46	-2.0	-90.65	413.12	-1.57	-92.22
CN1N=C(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024565154	0	42	-2.0	-93.62	386.04	-4.05	-97.67
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=C[N-]N=CC2=O)C1	REAL300024565206	0	41	-2.0	-80.77	372.79	-2.06	-82.83
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300024565264	0	40	-2.0	-87.41	368.57	-4.23	-91.64
C[PH](C)([O-])C(=O)C(=O)NCC1CC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024565269	0	45	-2.0	-90.72	401.59	-3.43	-94.15
C[PH](C)([O-])C(=O)C(=O)NCC1CC(NC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024565269	1	45	-2.0	-90.72	401.59	-3.43	-94.15
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024565289	0	43	-2.0	-99.88	388.94	-0.03	-99.91
CC1SC(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024565308	0	42	-2.0	-95.59	395.15	-4.09	-99.68
CC1=C([O-])N=C(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024565308	1	42	-2.0	-95.59	395.15	-4.09	-99.68
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024565322	0	43	-2.0	-104.69	391.73	-0.20	-104.89
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024565343	0	43	-2.0	-117.30	388.72	0.87	-116.43
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)CC2=NC([O-])=CS2)C1	REAL300024565444	0	42	-2.0	-105.70	395.10	-4.30	-110.00
CC1=CC(=O)C(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024565582	0	44	-2.0	-90.92	397.32	-0.42	-91.34
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300024565592	0	39	-2.0	-88.37	363.20	-5.51	-93.88
CN1[N-]C(C(=O)NCC2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024565758	0	43	-2.0	-90.06	391.40	-2.52	-92.58
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=NC=CC=C2O)C1	REAL300024566008	0	42	-2.0	-99.32	380.64	-0.78	-100.10
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=NC=CC=C2[O-])C1	REAL300024566008	1	42	-2.0	-99.32	380.64	-0.78	-100.10
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024566097	0	41	-2.0	-91.99	380.15	-6.29	-98.28
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024566183	0	43	-2.0	-93.73	394.39	-4.68	-98.41
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=COC(=O)[N-]2)C1	REAL300024566967	1	39	-2.0	-86.79	363.76	-5.20	-91.99
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC=C([O-])C=C2F)C1	REAL300024567029	1	43	-2.0	-91.80	390.10	-0.60	-92.40
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300024567032	0	42	-2.0	-87.78	388.92	-1.44	-89.22
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=C[N-]N=CC2=O)C1	REAL300024567089	0	41	-2.0	-79.29	372.82	-2.05	-81.34
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC=CC(F)=C2[O-])C1	REAL300024567096	0	43	-2.0	-105.43	389.64	0.99	-104.44
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC=CC([O-])=C2F)C1	REAL300024567151	1	43	-2.0	-103.17	389.96	-0.62	-103.79
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC(=O)N[N-]2)C1	REAL300024567215	0	40	-2.0	-86.82	368.59	-4.22	-91.04
C[PH](C)([O-])C(=O)C(=O)NC1CC(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024567220	0	45	-2.0	-91.13	407.21	-3.42	-94.55
C[PH](C)([O-])C(=O)C(=O)NC1CC(CNC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024567220	1	45	-2.0	-91.13	407.21	-3.42	-94.55
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024567265	0	43	-2.0	-105.18	391.58	-0.16	-105.34
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=NC(=O)N[N-]2)C1	REAL300024567279	0	39	-2.0	-86.74	363.19	-5.50	-92.24
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024567283	0	43	-2.0	-97.53	388.89	0.01	-97.52
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC(F)=CC=C2O)C1	REAL300024567379	0	43	-2.0	-96.26	389.83	0.99	-95.27
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC(F)=CC=C2[O-])C1	REAL300024567379	1	43	-2.0	-96.26	389.83	0.99	-95.27
CC1=CC=NC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300024567420	0	45	-2.0	-99.15	400.96	-0.09	-99.24
CC1=CC=NC(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024567420	1	45	-2.0	-99.15	400.96	-0.09	-99.24
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)CC2=NC([O-])=CS2)C1	REAL300024567553	0	42	-2.0	-105.97	395.24	-4.35	-110.32
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=C(O)C=CC=C2F)C1	REAL300024567563	0	43	-2.0	-94.67	395.43	-0.78	-95.45
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=C([O-])C=CC=C2F)C1	REAL300024567563	1	43	-2.0	-94.67	395.43	-0.78	-95.45
CC1=CC(=O)C(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024567648	0	44	-2.0	-90.39	397.30	-0.44	-90.83
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024567663	0	43	-2.0	-118.92	388.91	0.80	-118.12
CN1N=C(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024567705	0	42	-2.0	-93.23	385.84	-4.00	-97.23
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC=C(F)C(O)=C2)C1	REAL300024567818	0	43	-2.0	-91.01	391.80	-0.63	-91.64
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300024567818	1	43	-2.0	-91.01	391.80	-0.63	-91.64
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024567863	0	41	-2.0	-89.58	381.65	-7.26	-96.84
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024567863	1	41	-2.0	-83.69	382.36	-6.51	-90.20
NC1=NC=C(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024567897	1	43	-2.0	-85.71	387.10	-3.35	-89.06
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC=NC=C2[O-])C1	REAL300024567972	1	42	-2.0	-99.53	378.70	-0.89	-100.42
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024567977	0	39	-2.0	-91.04	363.32	-3.75	-94.79
CC1=C([O-])N=C(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024567992	1	42	-2.0	-93.05	395.12	-4.09	-97.14
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024568083	0	43	-2.0	-86.37	391.69	-5.05	-91.42
CCN1[N-]C(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024568121	0	46	-2.0	-90.15	413.14	-1.57	-91.72
CN1[N-]C(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024568137	0	43	-2.0	-89.36	391.33	-2.51	-91.87
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300024568217	1	43	-2.0	-91.51	391.76	-0.60	-92.11
CC1=CN=C(C(=O)NC2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024568272	1	45	-2.0	-100.80	402.09	-0.14	-100.94
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CC([O-])=CS2)C1	REAL300024568284	0	40	-2.0	-96.72	377.82	-1.76	-98.48
O=C(CSC1=NNC(=O)[N-]1)NCC1CC(NC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024568295	0	43	-2.0	-104.72	391.21	-0.14	-104.86
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024568389	0	41	-2.0	-84.93	382.34	-6.53	-91.46
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024568389	1	41	-2.0	-84.93	382.34	-6.53	-91.46
O=C(CSC1=NNC(=O)[N-]1)NC1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300024568488	0	39	-2.0	-92.10	363.33	-3.74	-95.84
C[C@@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]1CN(C(=O)C1=COC(=O)N1)C2	REAL300024568849	0	43	-2.0	-86.30	374.74	-1.35	-87.65
C[C@@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]1CN(C(=O)C1=COC(=O)[N-]1)C2	REAL300024568849	1	43	-2.0	-86.30	374.74	-1.35	-87.65
C[C@@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]1CN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300024568931	0	44	-2.0	-86.18	379.50	-1.27	-87.45
C[C@@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]1CN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300024569002	0	43	-2.0	-86.08	374.41	-1.98	-88.06
C[C@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]1CN(C(=O)C1=COC(=O)[N-]1)C2	REAL300024569371	1	43	-2.0	-86.22	374.74	-1.34	-87.56
C[C@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]1CN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300024569425	0	44	-2.0	-86.10	379.60	-1.23	-87.33
C[C@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]1CN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300024569438	0	43	-2.0	-86.12	374.50	-1.99	-88.11
C[C@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300024569587	0	43	-2.0	-90.55	374.59	-1.09	-91.64
C[C@@]12CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300024569733	0	43	-2.0	-90.68	374.49	-1.13	-91.81
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1=COC(=O)[N-]1	REAL300024570563	1	42	-2.0	-90.73	379.62	-3.63	-94.36
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1=NN(C)C(=O)[N-]1	REAL300024570647	0	45	-2.0	-97.27	401.77	-2.42	-99.69
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1=C[N-]N=CC1=O	REAL300024570675	0	44	-2.0	-81.86	388.64	-0.52	-82.38
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1=CC(=O)N[N-]1	REAL300024570709	0	43	-2.0	-87.47	384.46	-2.70	-90.17
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1=NC(=O)N[N-]1	REAL300024570870	0	42	-2.0	-88.90	379.05	-3.98	-92.88
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1=CC(=O)N(C)[N-]1	REAL300024570953	0	46	-2.0	-89.79	407.19	-0.99	-90.78
C[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571201	1	45	-2.0	-102.83	393.59	1.17	-101.66
C[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571664	1	42	-2.0	-89.35	376.18	-2.51	-91.86
C[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571731	0	44	-2.0	-84.31	387.01	-0.99	-85.30
C[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571788	0	43	-2.0	-89.44	381.91	-2.52	-91.96
C[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024571820	0	42	-2.0	-87.57	377.59	-3.40	-90.97
C[C@@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572023	0	45	-2.0	-95.07	399.18	-2.33	-97.40
C[C@@H]1CN(C(=O)C2=CC=NC=C2[O-])C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572141	0	45	-2.0	-103.85	393.91	-0.12	-103.97
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572143	0	42	-2.0	-91.46	376.73	-2.36	-93.82
C[C@@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572223	0	46	-2.0	-94.39	403.77	-0.73	-95.12
C[C@@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024572307	0	43	-2.0	-99.14	389.48	-0.65	-99.79
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300024572426	0	42	-2.0	-92.42	379.66	-2.21	-94.63
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C1=COC(=O)[N-]1	REAL300024572758	1	45	-2.0	-87.49	400.18	-2.99	-90.48
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C1=CC(=O)N[N-]1	REAL300024572836	0	46	-2.0	-89.31	405.69	-2.05	-91.36
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C1=NC(=O)N[N-]1	REAL300024572904	0	45	-2.0	-89.97	398.77	-3.32	-93.29
C[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573260	1	45	-2.0	-89.71	397.65	-1.98	-91.69
C[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573312	0	46	-2.0	-92.17	403.70	-1.89	-94.06
C[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573322	0	45	-2.0	-90.30	396.34	-2.56	-92.86
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573467	0	45	-2.0	-94.24	397.50	-1.72	-95.96
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C1=CC(=O)[N-]O1	REAL300024573606	0	45	-2.0	-92.94	399.75	-1.53	-94.47
C[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024573925	1	45	-2.0	-89.71	397.65	-1.98	-91.69
C[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024574003	0	46	-2.0	-92.17	403.70	-1.89	-94.06
C[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024574071	0	45	-2.0	-90.30	396.34	-2.56	-92.86
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C1=COC(=O)[N-]1	REAL300024574427	1	45	-2.0	-87.49	400.18	-2.99	-90.48
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C1=CC(=O)N[N-]1	REAL300024574479	0	46	-2.0	-89.31	405.69	-2.05	-91.36
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C1=NC(=O)N[N-]1	REAL300024574489	0	45	-2.0	-89.97	398.77	-3.32	-93.29
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CCNC(=O)C1=CC(=O)[N-]O1	REAL300024574634	0	45	-2.0	-92.94	399.75	-1.53	-94.47
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024574773	0	45	-2.0	-94.24	397.50	-1.72	-95.96
C[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575735	1	42	-2.0	-89.35	376.18	-2.51	-91.86
C[C@@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575819	0	45	-2.0	-95.07	399.18	-2.33	-97.40
C[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575847	0	44	-2.0	-84.31	387.01	-0.99	-85.30
C[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024575881	0	43	-2.0	-89.44	381.91	-2.52	-91.96
C[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024576042	0	42	-2.0	-87.57	377.59	-3.40	-90.97
C[C@@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024576125	0	46	-2.0	-94.39	403.77	-0.73	-95.12
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1=NC=CC=C1[O-]	REAL300024576373	1	45	-2.0	-98.11	397.00	0.76	-97.35
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1=COC(=O)[N-]1	REAL300024576836	1	42	-2.0	-90.73	379.62	-3.63	-94.36
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1=C[N-]N=CC1=O	REAL300024576903	0	44	-2.0	-81.86	388.64	-0.52	-82.38
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1=CC(=O)N[N-]1	REAL300024576960	0	43	-2.0	-87.47	384.46	-2.70	-90.17
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1=NC(=O)N[N-]1	REAL300024576992	0	42	-2.0	-88.90	379.05	-3.98	-92.88
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1=NN(C)C(=O)[N-]1	REAL300024577195	0	45	-2.0	-97.27	401.77	-2.42	-99.69
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1=CC=NC=C1[O-]	REAL300024577313	1	45	-2.0	-96.72	394.56	0.64	-96.08
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300024577315	0	42	-2.0	-92.42	379.66	-2.21	-94.63
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1=CC(=O)N(C)[N-]1	REAL300024577395	0	46	-2.0	-89.79	407.19	-0.99	-90.78
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1CNC(=O)C1=CC([O-])=CS1	REAL300024577479	0	43	-2.0	-99.88	393.71	-0.18	-100.06
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024577598	0	42	-2.0	-91.46	376.73	-2.36	-93.82
CC1(CNC(=O)C2=COC(=O)[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024578293	1	43	-2.0	-86.41	379.08	-4.77	-91.18
CC1(CNC(=O)C2=CC(=O)N[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024578359	0	44	-2.0	-85.70	383.91	-3.79	-89.49
CC1(CNC(=O)C2=NC(=O)N[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024578416	0	43	-2.0	-85.84	378.50	-5.07	-90.91
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=COC(=O)[N-]2)CCO1	REAL300024578726	1	43	-2.0	-82.80	375.36	-3.53	-86.33
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)N[N-]2)CCO1	REAL300024578772	0	44	-2.0	-84.60	380.87	-3.56	-88.16
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=NC(=O)N[N-]2)CCO1	REAL300024578781	0	43	-2.0	-82.87	375.02	-4.21	-87.08
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300024578900	0	43	-2.0	-88.61	375.49	-3.60	-92.21
CC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300024579014	0	43	-2.0	-89.40	378.65	-3.30	-92.70
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CC(C1)N(C(=O)C1=COC(=O)[N-]1)C2	REAL300024579458	1	43	-2.0	-106.59	355.41	0.11	-106.48
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CC(C1)N(C(=O)C1=CC(=O)N[N-]1)C2	REAL300024579540	0	44	-2.0	-101.69	360.61	-0.21	-101.90
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CC(C1)N(C(=O)C1=NC(=O)N[N-]1)C2	REAL300024579611	0	43	-2.0	-105.38	355.04	-0.83	-106.21
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CC(NC(=O)C1=COC(=O)[N-]1)C2	REAL300024579980	1	43	-2.0	-114.39	347.95	-0.55	-114.94
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CC(NC(=O)C1=CC(=O)N[N-]1)C2	REAL300024580034	0	44	-2.0	-101.12	380.74	-1.83	-102.95
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CC(NC(=O)C1=NC(=O)N[N-]1)C2	REAL300024580047	0	43	-2.0	-98.22	375.44	-3.11	-101.33
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300024580196	0	43	-2.0	-103.19	375.49	-1.34	-104.53
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300024580342	0	43	-2.0	-111.39	355.86	-0.17	-111.56
O=C(CSC1=NNC(=O)[N-]1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=COC(=O)[N-]1)C2	REAL300024581045	1	40	-2.0	-87.49	360.54	-2.81	-90.30
CN1N=C(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024581132	0	43	-2.0	-97.13	382.58	-1.61	-98.74
O=C(CSC1=NNC(=O)[N-]1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=C[N-]N=CC1=O)C2	REAL300024581164	0	42	-2.0	-80.86	369.31	0.34	-80.52
O=C(CSC1=NNC(=O)[N-]1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CC(=O)N[N-]1)C2	REAL300024581198	0	41	-2.0	-90.19	365.37	-1.82	-92.01
O=C(CSC1=NNC(=O)[N-]1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=NC(=O)N[N-]1)C2	REAL300024581367	0	40	-2.0	-88.09	359.66	-3.12	-91.21
CN1[N-]C(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024581454	0	44	-2.0	-92.81	388.04	-0.13	-92.94
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NC=CC=C1[O-]	REAL300024581703	1	43	-2.0	-111.18	373.40	2.00	-109.18
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=COC(=O)[N-]1	REAL300024582178	1	40	-2.0	-90.00	356.64	-1.89	-91.89
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=C[N-]N=CC1=O	REAL300024582248	0	42	-2.0	-95.76	375.42	-0.10	-95.86
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)N[N-]1	REAL300024582307	0	41	-2.0	-93.24	361.49	-1.68	-94.92
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NC(=O)N[N-]1	REAL300024582341	0	40	-2.0	-90.83	356.27	-2.50	-93.33
CN1N=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)[N-]C1=O	REAL300024582555	0	43	-2.0	-100.56	378.94	-1.51	-102.07
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=NC=C1[O-]	REAL300024582685	0	43	-2.0	-104.79	376.01	0.08	-104.71
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL300024582688	0	40	-2.0	-95.43	356.42	-1.53	-96.96
CN1[N-]C(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)=CC1=O	REAL300024582775	0	44	-2.0	-96.37	384.36	0.03	-96.34
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC([O-])=CS1	REAL300024582865	0	41	-2.0	-104.66	368.84	0.11	-104.55
O=C(CSC1=NNC(=O)[N-]1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300024582990	0	40	-2.0	-93.67	360.12	-1.33	-95.00
O=C(CSC1=NNC(=O)[N-]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=COC(=O)[N-]1)C2	REAL300024583707	1	40	-2.0	-96.15	363.53	-3.44	-99.59
CN1N=C(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024583794	0	43	-2.0	-96.28	385.37	-2.21	-98.49
O=C(CSC1=NNC(=O)[N-]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=C[N-]N=CC1=O)C2	REAL300024583826	0	42	-2.0	-88.69	372.45	-0.33	-89.02
O=C(CSC1=NNC(=O)[N-]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CC(=O)N[N-]1)C2	REAL300024583860	0	41	-2.0	-91.15	368.20	-2.46	-93.61
O=C(CSC1=NNC(=O)[N-]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=NC(=O)N[N-]1)C2	REAL300024584029	0	40	-2.0	-94.70	362.72	-3.73	-98.43
CN1[N-]C(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024584116	0	44	-2.0	-93.45	391.16	-0.74	-94.19
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NC=CC=C1[O-]	REAL300024584365	1	43	-2.0	-102.41	376.44	1.42	-100.99
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=COC(=O)[N-]1	REAL300024584840	1	40	-2.0	-88.57	359.60	-2.50	-91.07
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=C[N-]N=CC1=O	REAL300024584910	0	42	-2.0	-90.86	378.45	-0.68	-91.54
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)N[N-]1	REAL300024584969	0	41	-2.0	-89.60	364.66	-2.34	-91.94
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=NC(=O)N[N-]1	REAL300024585003	0	40	-2.0	-89.04	359.06	-3.11	-92.15
CN1N=C(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)[N-]C1=O	REAL300024585217	0	43	-2.0	-96.48	382.01	-2.12	-98.60
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC=NC=C1[O-]	REAL300024585347	0	43	-2.0	-103.40	376.85	-0.04	-103.44
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC(=O)[N-]O1	REAL300024585350	0	40	-2.0	-93.34	359.47	-2.13	-95.47
CN1[N-]C(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C3)=CC1=O	REAL300024585437	0	44	-2.0	-92.25	387.40	-0.63	-92.88
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CC([O-])=CS1	REAL300024585527	0	41	-2.0	-100.78	371.77	-0.51	-101.29
O=C(CSC1=NNC(=O)[N-]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300024585652	0	40	-2.0	-95.71	362.95	-1.97	-97.68
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCC[C@]2(NC(=O)C2=COC(=O)[N-]2)C1	REAL300024585991	1	43	-2.0	-95.01	373.87	-3.50	-98.51
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCC[C@]2(NC(=O)C2=CC(=O)N[N-]2)C1	REAL300024586062	0	44	-2.0	-95.15	378.74	-2.48	-97.63
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCC[C@]2(NC(=O)C2=NC(=O)N[N-]2)C1	REAL300024586118	0	43	-2.0	-95.49	373.51	-3.81	-99.30
O=C(CSC1=NNC(=O)[N-]1)N[C@]12CCC[C@H]1CN(C(=O)C1=COC(=O)[N-]1)C2	REAL300024586478	1	43	-2.0	-88.36	372.48	-2.39	-90.75
O=C(CSC1=NNC(=O)[N-]1)N[C@]12CCC[C@H]1CN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300024586532	0	44	-2.0	-91.54	377.31	-2.28	-93.82
O=C(CSC1=NNC(=O)[N-]1)N[C@]12CCC[C@H]1CN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300024586545	0	43	-2.0	-89.09	371.99	-3.01	-92.10
O=C(CSC1=NNC(=O)[N-]1)N[C@]12CCC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300024586694	0	43	-2.0	-95.37	370.21	-2.17	-97.54
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024586833	0	43	-2.0	-98.60	373.66	-2.02	-100.62
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1	REAL300024588516	0	38	-2.0	-88.70	341.89	-4.54	-93.24
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)CN2C(=O)[N-]NC2=O)CC1	REAL300024588600	0	40	-2.0	-91.08	358.89	-3.02	-94.10
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1	REAL300024589186	0	40	-2.0	-99.05	360.80	1.35	-97.70
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1	REAL300024589300	0	40	-2.0	-83.90	360.74	-3.60	-87.50
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300024589311	1	36	-2.0	-83.52	324.94	-2.27	-85.79
CCN1[N-]C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300024589480	0	43	-2.0	-86.32	374.67	0.31	-86.01
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC=CC(=S)N2[O-])CC1	REAL300024589502	0	40	-2.0	-103.56	363.23	2.04	-101.52
CN1N=C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)[N-]C1=O	REAL300024589526	0	39	-2.0	-89.79	347.28	-2.17	-91.96
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300024589614	0	38	-2.0	-81.29	340.97	-0.88	-82.17
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300024589709	0	37	-2.0	-83.26	329.81	-2.34	-85.60
C[PH](C)([O-])C(=O)C(=O)N1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024589714	0	42	-2.0	-89.17	363.58	-1.90	-91.07
C[PH](C)([O-])C(=O)C(=O)N1CCN(C(=O)CSC2=NC(=O)[N-]N2)CC1	REAL300024589714	1	42	-2.0	-89.17	363.58	-1.90	-91.07
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1	REAL300024589744	0	40	-2.0	-107.22	359.95	1.29	-105.93
CC1SC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=NC1=O	REAL300024589772	0	39	-2.0	-90.90	356.87	-1.54	-92.44
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)S1	REAL300024589772	1	39	-2.0	-90.90	356.87	-1.54	-92.44
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)C=C(Cl)N2)CC1	REAL300024589785	0	39	-2.0	-79.94	360.34	1.14	-78.80
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1	REAL300024589785	1	39	-2.0	-79.94	360.34	1.14	-78.80
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1	REAL300024589802	0	40	-2.0	-100.77	355.34	1.11	-99.66
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1	REAL300024589835	0	40	-2.0	-99.81	352.10	1.40	-98.41
NC1=NC([O-])=C(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)S1	REAL300024589956	0	41	-2.0	-102.68	374.54	-3.53	-106.21
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)CC2=NC([O-])=CS2)CC1	REAL300024590000	0	39	-2.0	-104.39	359.73	-2.66	-107.05
CC1=CC(=O)C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=N[N-]1	REAL300024590229	0	41	-2.0	-86.99	359.04	1.35	-85.64
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=NNC(=O)[N-]2)CC1	REAL300024590244	0	36	-2.0	-87.22	324.79	-3.82	-91.04
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CN=C(C=N[O-])S2)CC1	REAL300024590352	0	39	-2.0	-96.96	366.39	-1.31	-98.27
COC1=NC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=CC(=O)[N-]1	REAL300024590365	0	42	-2.0	-86.90	368.70	-3.81	-90.71
CN1[N-]C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300024590508	0	40	-2.0	-85.74	352.87	-0.62	-86.36
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300024590760	1	39	-2.0	-95.62	342.28	1.28	-94.34
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1	REAL300024590881	0	38	-2.0	-88.70	341.89	-4.54	-93.24
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O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC1	REAL300024592346	1	40	-2.0	-92.24	365.08	2.19	-90.05
N#CC1=CC([O-])=CC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1	REAL300024592371	1	41	-2.0	-83.91	371.10	0.97	-82.94
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O=C(C[N-]C(=O)C(F)(F)F)N1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024592536	0	39	-2.0	-83.95	363.35	-2.74	-86.69
NC1=NC([O-])=C(CC(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)S1	REAL300024592537	0	41	-2.0	-102.68	374.54	-3.53	-106.21
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=C(F)C=C([O-])C=C2F)CC1	REAL300024592546	0	40	-2.0	-83.46	366.99	0.87	-82.59
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC=C([O-])C=C2F)CC1	REAL300024592559	1	40	-2.0	-87.91	357.87	0.73	-87.18
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1	REAL300024592565	0	39	-2.0	-85.71	350.68	-0.19	-85.90
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CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598305	0	41	-2.0	-78.67	383.23	-4.89	-83.56
O=C(CCCN1C(=O)[N-]NC1=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024598855	0	42	-2.0	-91.40	389.17	-5.52	-96.92
CC(C)CN1[N-]C(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024599051	0	48	-2.0	-97.81	426.06	-1.43	-99.24
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CC(=O)[N-]C1=NC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024599146	1	38	-2.0	-82.84	371.10	-4.75	-87.59
O=C(CCN1C=C[N-]C(=O)C1=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024599360	1	41	-2.0	-95.68	382.61	-4.10	-99.78
COC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)NC(=O)[N-]C1=O	REAL300024599505	1	39	-2.0	-90.48	366.30	-7.06	-97.54
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NNC(=O)[N-]C1=O	REAL300024599656	0	34	-2.0	-89.73	332.53	-8.38	-98.11
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1C(=O)[N-]NC1=O	REAL300024599797	0	36	-2.0	-91.32	346.65	-6.72	-98.04
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]C(C(C)C)=N1	REAL300024599840	1	46	-2.0	-86.66	403.08	-2.76	-89.42
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300024599977	0	40	-2.0	-93.92	380.20	-3.83	-97.75
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=N[N-]C2=CC=CC=C2C1=O	REAL300024600736	0	40	-2.0	-91.15	374.53	-0.96	-92.11
O=C(CSC1=NNC(=O)[N-]1)NCC[N-]C(=O)C(F)(F)C(F)(F)C(F)F	REAL300024600873	1	34	-2.0	-84.21	346.37	-3.25	-87.46
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN([O-])C(=O)C=C1	REAL300024600890	0	36	-2.0	-102.29	343.61	-2.24	-104.53
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(=O)NC([O-])=C1	REAL300024601100	0	36	-2.0	-85.06	344.08	-7.14	-92.20
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=COC(=O)[N-]1	REAL300024601117	1	32	-2.0	-86.24	316.15	-7.30	-93.54
O=C(C[N-]C(=O)C(F)(F)F)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024602261	0	35	-2.0	-84.62	351.10	-6.42	-91.04
NC1=NC([O-])=C(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024602262	0	37	-2.0	-103.49	362.30	-7.26	-110.75
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1=NC([O-])=CS1	REAL300024602341	0	35	-2.0	-105.06	347.49	-6.39	-111.45
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1N=CC(=O)[N-]C1=O	REAL300024602387	0	37	-2.0	-95.50	356.99	-7.83	-103.33
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C(Cl)C(=O)[N-]S1	REAL300024602487	0	32	-2.0	-86.39	338.54	-5.01	-91.40
COCC1=NC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024602627	0	41	-2.0	-85.90	379.04	-5.55	-91.45
COCC1=NC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300024602627	1	41	-2.0	-85.90	379.04	-5.55	-91.45
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=C(CC2CC2)NC1=O	REAL300024602642	0	44	-2.0	-85.10	397.03	-2.19	-87.29
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=C(CC2CC2)[N-]C1=O	REAL300024602642	1	44	-2.0	-85.10	397.03	-2.19	-87.29
CC1=CC(=O)C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024602750	0	37	-2.0	-88.66	349.69	-2.51	-91.17
CN1N=CC2=C1[N-]C=C(C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1)C2=O	REAL300024602756	0	41	-2.0	-82.15	379.70	-2.32	-84.47
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NNC(=O)[N-]1	REAL300024602774	0	32	-2.0	-88.71	315.46	-7.77	-96.48
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300024602805	0	37	-2.0	-85.85	358.16	-3.29	-89.14
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300024602805	1	37	-2.0	-85.85	358.16	-3.29	-89.14
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=C(C=N[O-])S1	REAL300024602968	0	35	-2.0	-98.06	356.35	-4.72	-102.78
CN1[N-]C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024603256	0	36	-2.0	-87.80	343.79	-4.61	-92.41
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300024603266	1	39	-2.0	-102.87	366.50	-4.17	-107.04
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300024603507	1	35	-2.0	-97.04	333.03	-2.85	-99.89
O=C(CCN1C=C[N-]C(=O)C1=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024603638	1	41	-2.0	-95.68	382.61	-4.10	-99.78
CC(=O)[N-]C1=NC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024603656	1	38	-2.0	-82.84	371.10	-4.75	-87.59
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NNC(=O)[N-]C1=O	REAL300024603697	0	34	-2.0	-89.73	332.53	-8.38	-98.11
COC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)NC(=O)[N-]C1=O	REAL300024603767	1	39	-2.0	-90.48	366.30	-7.06	-97.54
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1C(=O)[N-]NC1=O	REAL300024603978	0	36	-2.0	-91.32	346.65	-6.72	-98.04
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300024604048	0	40	-2.0	-93.92	380.20	-3.83	-97.75
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=N[N-]C2=CC=CC=C2C1=O	REAL300024604619	0	40	-2.0	-91.15	374.53	-0.96	-92.11
O=C(CCCN1C(=O)[N-]NC1=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024605245	0	42	-2.0	-91.40	389.17	-5.52	-96.92
CC(C)CN1[N-]C(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024605456	0	48	-2.0	-97.81	426.06	-1.43	-99.24
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300024605516	1	41	-2.0	-86.28	377.19	-3.20	-89.48
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024605769	0	41	-2.0	-78.67	383.23	-4.89	-83.56
CC1=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]C(C(C)C)=N1	REAL300024606324	1	46	-2.0	-86.66	403.08	-2.76	-89.42
O=C(CCC1=NNC(=O)[N-]C1=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024606670	0	40	-2.0	-90.14	376.87	-8.24	-98.38
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300024606680	0	38	-2.0	-90.95	363.92	-0.97	-91.92
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(Cl)=CC=C1[O-]	REAL300024606699	1	36	-2.0	-94.11	352.53	-0.64	-94.75
N#CC1=CC([O-])=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024606740	1	37	-2.0	-84.16	358.81	-2.42	-86.58
NC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1Cl	REAL300024606777	0	38	-2.0	-99.59	364.32	-2.66	-102.25
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300024606851	0	38	-2.0	-103.04	361.81	0.10	-102.94
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=COC(=O)[N-]1	REAL300024606921	1	32	-2.0	-86.24	316.15	-7.30	-93.54
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC([O-])=C1[N+](=O)[O-]	REAL300024607018	0	38	-2.0	-102.70	364.96	-0.96	-103.66
O=C(C[N-]C(=O)C(F)(F)F)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024607038	0	35	-2.0	-84.62	351.10	-6.42	-91.04
NC1=NC([O-])=C(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024607039	0	37	-2.0	-103.49	362.30	-7.26	-110.75
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C(F)C=C([O-])C=C1F	REAL300024607052	0	36	-2.0	-84.05	354.23	-2.83	-86.88
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C([O-])C=C1F	REAL300024607085	1	36	-2.0	-89.46	342.48	-2.70	-92.16
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC([O-])=C2SC=CC2=C1	REAL300024607096	1	39	-2.0	-92.71	374.87	-1.44	-94.15
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC([O-])=CC(=O)O1	REAL300024607099	0	35	-2.0	-86.82	341.29	-3.55	-90.37
N#CC1=CC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C=C1[O-]	REAL300024607114	1	37	-2.0	-93.42	358.11	-2.34	-95.76
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(Cl)=NC=C1[O-]	REAL300024607120	0	35	-2.0	-90.43	347.95	-2.55	-92.98
N#CC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C(N)[N-]C1=O	REAL300024607129	0	38	-2.0	-85.85	361.84	-5.41	-91.26
O=C(CSC1=NNC(=O)[N-]1)NCC[N-]C(=O)C(F)(F)C(F)(F)C(F)F	REAL300024607131	1	34	-2.0	-84.21	346.37	-3.25	-87.46
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1N=CC(=O)[N-]C1=O	REAL300024607150	0	37	-2.0	-95.50	356.99	-7.83	-103.33
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C[N-]N=CC1=O	REAL300024607296	0	34	-2.0	-78.71	325.20	-4.15	-82.86
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC(F)=C1[O-]	REAL300024607311	0	36	-2.0	-102.15	342.02	-1.09	-103.24
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC([O-])=C1F	REAL300024607470	1	36	-2.0	-100.24	342.34	-2.72	-102.96
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300024607568	0	38	-2.0	-94.61	363.95	-0.99	-95.60
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(=O)N[N-]1	REAL300024607647	0	33	-2.0	-85.25	320.97	-6.32	-91.57
C[PH](C)([O-])C(=O)C(=O)NCCNC(=O)CSC1=NC(=O)NN1	REAL300024607655	0	38	-2.0	-90.11	359.53	-5.48	-95.59
C[PH](C)([O-])C(=O)C(=O)NCCNC(=O)CSC1=NC(=O)[N-]N1	REAL300024607655	1	38	-2.0	-90.11	359.53	-5.48	-95.59
O=C(C=C([O-])C1=CC=CC=N1)C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024607690	0	41	-2.0	-99.44	388.74	-1.36	-100.80
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=C(CC2CC2)NC1=O	REAL300024607714	0	44	-2.0	-85.10	397.03	-2.19	-87.29
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=C(CC2CC2)[N-]C1=O	REAL300024607714	1	44	-2.0	-85.10	397.03	-2.19	-87.29
COCC1=NC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024607740	0	41	-2.0	-85.90	379.04	-5.55	-91.45
COCC1=NC=C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300024607740	1	41	-2.0	-85.90	379.04	-5.55	-91.45
CC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300024607750	0	41	-2.0	-88.19	383.97	-0.25	-88.44
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(=O)N([O-])C=C1	REAL300024607816	0	36	-2.0	-102.80	343.98	-2.25	-105.05
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL300024607857	0	36	-2.0	-93.52	354.81	-2.58	-96.10
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=NC(=O)N[N-]1	REAL300024607859	0	32	-2.0	-85.79	315.57	-7.60	-93.39
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C(O)C=CC=C1Cl	REAL300024607865	0	36	-2.0	-92.55	357.19	-2.44	-94.99
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C([O-])C=CC=C1Cl	REAL300024607865	1	36	-2.0	-92.55	357.19	-2.44	-94.99
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CN([O-])C1=O	REAL300024607875	0	36	-2.0	-98.41	341.20	-2.07	-100.48
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C(F)C=CC(O)=C1F	REAL300024607924	0	36	-2.0	-90.40	354.07	-2.85	-93.25
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C(F)C=CC([O-])=C1F	REAL300024607924	1	36	-2.0	-90.40	354.07	-2.85	-93.25
N#CC1=CN(CC(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]C1=O	REAL300024608086	0	39	-2.0	-100.38	381.41	-5.55	-105.93
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300024608163	0	36	-2.0	-86.44	353.94	-2.21	-88.65
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC(F)=CC=C1[O-]	REAL300024608172	1	36	-2.0	-93.59	342.21	-1.10	-94.69
CC1=CC=NC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300024608288	1	38	-2.0	-96.94	353.35	-2.16	-99.10
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300024608357	0	36	-2.0	-98.19	358.16	-0.59	-98.78
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC(=S)N1[O-]	REAL300024608515	0	36	-2.0	-119.38	352.17	-0.19	-119.57
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300024608690	1	44	-2.0	-86.28	392.95	-2.65	-88.93
NC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=CC([O-])=C1Cl	REAL300024608709	1	38	-2.0	-88.71	366.67	-4.31	-93.02
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C([O-])C(Cl)=N1	REAL300024608714	0	35	-2.0	-83.06	351.34	-4.01	-87.07
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608792	0	40	-2.0	-90.64	374.23	-2.73	-93.37
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C([O-])C=C1Cl	REAL300024608799	1	36	-2.0	-88.23	350.45	-2.26	-90.49
N#CC1=CC(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=C([O-])C=C1N	REAL300024608802	0	39	-2.0	-93.40	369.51	-2.88	-96.28
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1=NC([O-])=CS1	REAL300024608817	0	35	-2.0	-105.06	347.49	-6.39	-111.45
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=C([O-])C=CC=C1F	REAL300024608845	1	36	-2.0	-93.18	347.70	-2.82	-96.00
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CN1[N-]C(=O)C=CC1=O	REAL300024608849	0	38	-2.0	-92.10	362.76	-5.73	-97.83
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C(F)C=C1[O-]	REAL300024608854	0	36	-2.0	-96.60	342.20	-1.09	-97.69
CC1=CC=C(F)C([O-])=C1C(=O)NCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024608915	0	39	-2.0	-97.93	367.15	-2.26	-100.19
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)CC1SC(=O)[N-]C1=O	REAL300024609030	0	36	-2.0	-85.29	354.76	-7.16	-92.45
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=C([O-])C(F)=C1F	REAL300024609064	0	36	-2.0	-91.54	348.57	-2.62	-94.16
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300024609068	1	37	-2.0	-77.39	357.50	-3.98	-81.37
O=C(CSC1=NNC(=O)[N-]1)NCCNC(=O)C1=CC=CC(Cl)=C1[O-]	REAL300024609075	0	36	-2.0	-96.98	351.82	-0.63	-97.61
CC1=CC(=O)C(C(=O)NCCNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024609120	0	37	-2.0	-88.66	349.69	-2.51	-91.17
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CN1[N-]C(C(=O)NCCCCCCNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024624808	0	48	-2.0	-89.24	429.79	-1.50	-90.74
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CN1[N-]C(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024628132	0	40	-2.0	-93.66	363.80	-2.04	-95.70
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O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300024630189	0	39	-2.0	-89.30	363.74	-1.09	-90.39
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C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024630491	0	42	-2.0	-92.58	382.84	-3.02	-95.60
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CCN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024630491	1	42	-2.0	-92.58	382.84	-3.02	-95.60
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024630577	0	40	-2.0	-106.76	366.43	0.21	-106.55
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O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=C(O)C=CC=C2Cl)C1	REAL300024630603	0	40	-2.0	-100.00	379.64	0.00	-100.00
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300024630603	1	40	-2.0	-100.00	379.64	0.00	-100.00
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O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300024630636	0	40	-2.0	-91.79	376.51	-0.41	-92.20
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CC1=CC=NC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300024630834	0	42	-2.0	-101.82	375.80	0.26	-101.56
CC1=CC=NC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024630834	1	42	-2.0	-101.82	375.80	0.26	-101.56
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CC=CC(=S)N2[O-])C1	REAL300024630948	0	40	-2.0	-125.84	374.63	2.25	-123.59
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O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=C(O)C=CC=C2F)C1	REAL300024631115	0	40	-2.0	-94.77	370.14	-0.38	-95.15
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N#CC1=CC=C(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024631317	0	40	-2.0	-82.27	373.48	-1.84	-84.11
CN1N=C(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024631361	0	39	-2.0	-95.18	360.69	-3.66	-98.84
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O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024631633	0	38	-2.0	-90.59	356.41	-6.90	-97.49
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024631633	1	38	-2.0	-85.12	358.01	-6.15	-91.27
NC1=NC=C(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024631687	1	40	-2.0	-86.69	362.81	-2.99	-89.68
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COC1=NC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC(=O)[N-]1	REAL300024631762	0	42	-2.0	-93.28	384.14	-5.85	-99.13
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300024631771	0	39	-2.0	-98.11	371.67	0.09	-98.02
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300024631809	0	40	-2.0	-97.93	376.43	0.19	-97.74
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O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300024631973	1	39	-2.0	-85.47	373.57	-0.57	-86.04
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024631993	0	40	-2.0	-88.53	367.46	-4.70	-93.23
CCN1[N-]C(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024632049	0	43	-2.0	-92.12	387.97	-1.22	-93.34
CN1[N-]C(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024632067	0	40	-2.0	-91.19	366.16	-2.15	-93.34
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300024632203	1	40	-2.0	-95.11	366.59	-0.26	-95.37
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CC1=CN=C(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024632301	1	42	-2.0	-103.37	376.92	0.21	-103.16
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CC([O-])=CS2)C1	REAL300024632321	0	37	-2.0	-98.34	352.64	-1.41	-99.75
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024632337	0	40	-2.0	-106.50	366.06	0.21	-106.29
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024632499	0	38	-2.0	-88.29	353.26	-6.11	-94.40
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024632499	1	38	-2.0	-86.15	354.36	-5.46	-91.61
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300024632637	0	42	-2.0	-93.34	386.18	-3.36	-96.70
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024632644	0	36	-2.0	-93.30	336.08	-3.56	-96.86
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300024632655	0	40	-2.0	-92.59	375.70	-2.55	-95.14
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024633418	0	41	-2.0	-93.52	364.86	-4.08	-97.60
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024633466	0	43	-2.0	-96.81	382.75	-2.61	-99.42
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024633806	0	43	-2.0	-102.85	383.74	1.76	-101.09
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024633881	0	43	-2.0	-86.37	384.31	-3.16	-89.53
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024633892	1	39	-2.0	-85.13	348.01	-2.09	-87.22
CCN1[N-]C(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024633997	0	46	-2.0	-91.89	398.25	0.61	-91.28
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300024634023	0	42	-2.0	-94.66	371.03	-1.84	-96.50
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300024634075	0	41	-2.0	-85.04	366.88	-0.38	-85.42
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024634133	0	40	-2.0	-87.95	353.81	-2.04	-89.99
CN(C(=O)CSC1=NC(=O)NN1)C1CCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300024634138	0	45	-2.0	-91.08	387.02	-1.16	-92.24
CN(C(=O)CSC1=NC(=O)[N-]N1)C1CCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300024634138	1	45	-2.0	-91.08	387.02	-1.16	-92.24
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300024634156	1	45	-2.0	-97.47	392.70	-2.47	-99.94
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300024634158	0	43	-2.0	-107.98	383.32	1.72	-106.26
CC1=C([O-])N=C(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024634177	1	42	-2.0	-90.84	379.45	-1.30	-92.14
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024634191	0	43	-2.0	-99.38	384.40	1.77	-97.61
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024634212	0	43	-2.0	-117.96	383.37	1.57	-116.39
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300024634313	0	42	-2.0	-110.59	383.59	-2.26	-112.85
CC1=CC(=O)C(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024634451	0	44	-2.0	-93.07	382.05	1.78	-91.29
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024634461	0	39	-2.0	-85.26	347.27	-2.72	-87.98
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300024634627	0	43	-2.0	-90.97	376.44	-0.33	-91.30
CN(C(=O)C1=NC=CC=C1[O-])C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634877	1	42	-2.0	-101.50	366.22	1.86	-99.64
CN(C(=O)C1=NNC(=O)[N-]C1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024634966	0	41	-2.0	-93.58	365.73	-3.97	-97.55
CN(C(=O)CN1C(=O)[N-]NC1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635052	0	43	-2.0	-96.22	382.47	-2.59	-98.81
CN(C(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635836	1	39	-2.0	-85.91	349.20	-1.79	-87.70
CN(C(=O)C1=CC=C([O-])C=C1F)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635898	1	43	-2.0	-93.14	374.46	1.04	-92.10
CN(C(=O)C1=CC([O-])=CC(=O)O1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635901	0	42	-2.0	-87.56	374.98	0.48	-87.08
CN(C(=O)C1=C[N-]N=CC1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635958	0	41	-2.0	-85.59	368.12	-0.37	-85.96
CN(C(=O)C1=CC=CC(F)=C1[O-])C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024635965	0	43	-2.0	-108.67	378.58	1.80	-106.87
CN(C(=O)C1=CC=CC([O-])=C1F)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636020	1	43	-2.0	-104.83	378.83	1.08	-103.75
CN(C(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636084	0	40	-2.0	-86.05	354.02	-1.91	-87.96
CN(C(=O)C(=O)[PH](C)(C)[O-])C1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024636089	0	45	-2.0	-88.83	387.65	-0.88	-89.71
CN(C(=O)C(=O)[PH](C)(C)[O-])C1CCN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024636089	1	45	-2.0	-88.83	387.65	-0.88	-89.71
CN(C(=O)C1=CC(=O)N([O-])C=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636134	0	43	-2.0	-106.17	376.40	1.51	-104.66
CN(C(=O)C1=NC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636148	0	39	-2.0	-85.93	349.50	-2.62	-88.55
CN(C(=O)C1=CC=CN([O-])C1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636152	0	43	-2.0	-102.84	382.16	1.65	-101.19
CN(C(=O)C1=NC(N)=CC(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636224	0	43	-2.0	-94.89	377.34	-2.14	-97.03
CN(C(=O)C1=CC(F)=CC=C1[O-])C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636248	1	43	-2.0	-99.61	374.19	2.52	-97.09
CC1=CC=NC(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024636289	1	45	-2.0	-101.37	386.46	2.58	-98.79
CN(C(=O)CC1=NC([O-])=CS1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636422	0	42	-2.0	-110.35	383.53	-2.25	-112.60
CN(C(=O)C1=C([O-])C=CC=C1F)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636432	0	43	-2.0	-94.28	383.96	1.28	-93.00
CN(C(=O)C1=CC=C(F)C=C1[O-])C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636433	0	43	-2.0	-103.75	374.19	2.54	-101.21
CC1=CC(=O)C(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024636517	0	44	-2.0	-91.84	382.89	1.89	-89.95
CN(C(=O)C1=CC=CC(=O)N1[O-])C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636532	0	43	-2.0	-123.46	375.98	2.29	-121.17
CN(C(=O)C1=NN(C)C(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636574	0	42	-2.0	-94.30	372.18	-1.75	-96.05
CN(C(=O)C1=CC=C(F)C([O-])=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636687	1	43	-2.0	-89.78	376.03	1.00	-88.78
CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636732	0	41	-2.0	-82.83	366.87	-3.43	-86.26
CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636732	1	41	-2.0	-82.83	366.87	-3.43	-86.26
CN(C(=O)C1=CN=C(N)NC1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636766	0	43	-2.0	-90.21	380.28	-1.78	-91.99
CN(C(=O)C1=CN=C(N)[N-]C1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636766	1	43	-2.0	-90.21	380.28	-1.78	-91.99
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636846	0	39	-2.0	-91.25	349.17	-1.80	-93.05
CC1SC(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024636861	0	42	-2.0	-92.40	381.29	-1.13	-93.53
CC1=C([O-])N=C(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024636861	1	42	-2.0	-92.40	381.29	-1.13	-93.53
CN(C(=O)C1=CC(=O)NC([O-])=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024636952	0	43	-2.0	-85.59	375.31	-3.41	-89.00
CCN1[N-]C(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024636990	0	46	-2.0	-90.84	398.72	0.76	-90.08
CN(C(=O)C1=CC(=O)N(C)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024637006	0	43	-2.0	-89.99	376.99	-0.17	-90.16
CN(C(=O)C1=CC=C(O)C(F)=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024637086	0	43	-2.0	-91.77	376.00	1.05	-90.72
CN(C(=O)C1=CC=C([O-])C(F)=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024637086	1	43	-2.0	-91.77	376.00	1.05	-90.72
CC1=CN=C(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(O)=C1	REAL300024637141	0	45	-2.0	-102.95	387.66	2.50	-100.45
CC1=CN=C(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024637141	1	45	-2.0	-102.95	387.66	2.50	-100.45
CN(C(=O)C1=CC([O-])=CS1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024637153	0	40	-2.0	-100.69	361.41	-0.20	-100.89
CN(C(=O)C1=CN([O-])C(=O)C=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024637164	0	43	-2.0	-101.79	384.85	1.76	-100.03
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024637258	0	41	-2.0	-84.37	366.90	-3.75	-88.12
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024637258	1	41	-2.0	-84.37	366.90	-3.75	-88.12
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024637357	0	39	-2.0	-91.10	348.68	-1.82	-92.92
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1	REAL300024638103	0	41	-2.0	-88.62	357.85	-2.91	-91.53
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)CN2C(=O)[N-]NC2=O)CC1	REAL300024638151	0	43	-2.0	-91.37	377.62	-1.65	-93.02
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1	REAL300024638491	0	43	-2.0	-117.43	365.21	2.00	-115.43
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1	REAL300024638566	0	43	-2.0	-84.20	366.62	-2.56	-86.76
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300024638577	1	39	-2.0	-85.22	341.79	-0.42	-85.64
CCN1[N-]C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300024638682	0	46	-2.0	-87.24	391.16	1.80	-85.44
CN1N=C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)[N-]C1=O	REAL300024638708	0	42	-2.0	-108.36	361.58	-1.09	-109.45
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O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300024638818	0	40	-2.0	-100.01	344.01	-1.22	-101.23
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CCN1[N-]C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300024643398	0	46	-2.0	-89.23	398.98	-0.31	-89.54
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C[PH](C)([O-])C(=O)C(=O)N1CCC(NC(=O)CSC2=NC(=O)NN2)CC1	REAL300024643539	0	45	-2.0	-90.66	393.85	-2.47	-93.13
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C[PH](C)([O-])C(=O)C(=O)NC1CCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300024645490	0	45	-2.0	-89.44	396.34	-2.26	-91.70
C[PH](C)([O-])C(=O)C(=O)NC1CCN(C(=O)CSC2=NC(=O)[N-]N2)CC1	REAL300024645490	1	45	-2.0	-89.44	396.34	-2.26	-91.70
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CC1=CC=NC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1O	REAL300024645690	0	45	-2.0	-97.26	390.17	1.03	-96.23
CC1=CC=NC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1[O-]	REAL300024645690	1	45	-2.0	-97.26	390.17	1.03	-96.23
O=C(CC1=NC([O-])=CS1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024645823	0	42	-2.0	-106.39	384.34	-3.19	-109.58
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=C(O)C=CC=C2F)CC1	REAL300024645833	0	43	-2.0	-92.08	384.47	0.37	-91.71
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=C([O-])C=CC=C2F)CC1	REAL300024645833	1	43	-2.0	-92.08	384.47	0.37	-91.71
CC1=CC(=O)C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=N[N-]1	REAL300024645918	0	44	-2.0	-89.23	386.51	0.67	-88.56
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC=CC(=O)N2[O-])CC1	REAL300024645933	0	43	-2.0	-116.55	377.90	1.97	-114.58
CN1N=C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)[N-]C1=O	REAL300024645975	0	42	-2.0	-91.92	375.11	-2.91	-94.83
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC=C(F)C(O)=C2)CC1	REAL300024646088	0	43	-2.0	-89.87	381.03	0.48	-89.39
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC=C(F)C([O-])=C2)CC1	REAL300024646088	1	43	-2.0	-89.87	381.03	0.48	-89.39
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=NC(=O)[N-]C(=O)N2)CC1	REAL300024646133	0	41	-2.0	-88.98	370.91	-6.16	-95.14
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=NC(=O)NC(=O)[N-]2)CC1	REAL300024646133	1	41	-2.0	-82.73	371.56	-5.40	-88.13
NC1=NC=C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C(=O)[N-]1	REAL300024646167	1	43	-2.0	-85.29	376.17	-2.22	-87.51
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC=NC=C2[O-])CC1	REAL300024646242	1	42	-2.0	-96.85	367.90	0.24	-96.61
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300024646247	0	39	-2.0	-89.87	352.53	-2.62	-92.49
CC1=C([O-])N=C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)S1	REAL300024646262	1	42	-2.0	-92.30	384.33	-2.97	-95.27
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC(=O)NC([O-])=C2)CC1	REAL300024646353	0	43	-2.0	-84.85	380.89	-3.93	-88.78
CCN1[N-]C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300024646391	0	46	-2.0	-88.87	402.34	-0.46	-89.33
CN1[N-]C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300024646407	0	43	-2.0	-88.12	380.60	-1.39	-89.51
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300024646487	1	43	-2.0	-89.83	380.99	0.53	-89.30
CC1=CN=C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C([O-])=C1	REAL300024646542	1	45	-2.0	-99.05	391.29	0.96	-98.09
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC([O-])=CS2)CC1	REAL300024646554	0	40	-2.0	-94.75	366.98	-0.64	-95.39
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CN([O-])C(=O)C=C2)CC1	REAL300024646565	0	43	-2.0	-102.56	380.46	0.99	-101.57
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1	REAL300024646659	0	41	-2.0	-81.22	368.85	-4.65	-85.87
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1	REAL300024646659	1	41	-2.0	-81.22	368.85	-4.65	-85.87
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300024646758	0	39	-2.0	-91.48	349.67	-2.86	-94.34
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300024647480	1	42	-2.0	-87.54	369.19	-2.13	-89.67
CN1N=C(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)[N-]C1=O	REAL300024647564	0	45	-2.0	-95.06	391.74	-2.05	-97.11
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300024647592	0	44	-2.0	-82.22	381.99	-0.74	-82.96
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300024647626	0	43	-2.0	-88.38	374.05	-2.22	-90.60
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300024647787	0	42	-2.0	-86.83	369.01	-2.83	-89.66
CN1[N-]C(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300024647870	0	46	-2.0	-91.03	397.27	-0.47	-91.50
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=NC=CC=C2[O-])CC1	REAL300024648118	1	45	-2.0	-99.89	389.56	1.07	-98.82
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=COC(=O)[N-]2)CC1	REAL300024648581	1	42	-2.0	-87.10	372.68	-3.37	-90.47
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=C[N-]N=CC2=O)CC1	REAL300024648648	0	44	-2.0	-79.42	381.73	-0.22	-79.64
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=CC(=O)N[N-]2)CC1	REAL300024648705	0	43	-2.0	-87.31	377.53	-2.38	-89.69
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=NC(=O)N[N-]2)CC1	REAL300024648737	0	42	-2.0	-87.21	372.13	-3.67	-90.88
CN1N=C(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)[N-]C1=O	REAL300024648940	0	45	-2.0	-93.82	394.86	-2.18	-96.00
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=CC=NC=C2[O-])CC1	REAL300024649058	1	45	-2.0	-100.19	387.61	0.95	-99.24
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300024649060	0	42	-2.0	-91.73	372.25	-1.89	-93.62
CN1[N-]C(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300024649140	0	46	-2.0	-89.92	400.35	-0.67	-90.59
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=CC([O-])=CS2)CC1	REAL300024649224	0	43	-2.0	-97.32	386.76	0.07	-97.25
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300024649343	0	42	-2.0	-93.62	369.39	-2.13	-95.75
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024650071	0	41	-2.0	-102.40	366.47	-5.13	-107.53
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024650119	0	43	-2.0	-106.17	383.47	-3.61	-109.78
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024650459	0	43	-2.0	-108.78	385.02	0.73	-108.05
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024650534	0	43	-2.0	-92.49	385.72	-4.16	-96.65
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024650545	1	39	-2.0	-90.20	349.86	-2.86	-93.06
CCN1[N-]C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024650650	0	46	-2.0	-98.36	399.05	-0.30	-98.66
CN1N=C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024650676	0	42	-2.0	-102.43	372.19	-2.75	-105.18
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300024650728	0	41	-2.0	-102.08	368.31	-1.38	-103.46
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024650786	0	40	-2.0	-94.29	354.53	-2.92	-97.21
C[PH](C)([O-])C(=O)C(=O)N1CCCC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024650791	0	45	-2.0	-96.96	387.94	-2.54	-99.50
C[PH](C)([O-])C(=O)C(=O)N1CCCC(NC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024650791	1	45	-2.0	-96.96	387.94	-2.54	-99.50
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)CCC2=NNC(=O)[N-]2)C1	REAL300024650809	0	45	-2.0	-98.16	393.81	-2.96	-101.12
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300024650811	0	43	-2.0	-111.98	378.63	0.52	-111.46
CC1SC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024650830	0	42	-2.0	-95.13	381.74	-2.14	-97.27
CC1=C([O-])N=C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024650830	1	42	-2.0	-95.13	381.74	-2.14	-97.27
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024650844	0	43	-2.0	-106.99	385.67	0.75	-106.24
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024650865	0	43	-2.0	-125.73	384.63	0.51	-125.22
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300024650966	0	42	-2.0	-116.64	384.31	-3.25	-119.89
CC1=CC(=O)C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024651104	0	44	-2.0	-101.51	383.67	0.76	-100.75
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024651114	0	39	-2.0	-91.35	349.31	-3.54	-94.89
CN1[N-]C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024651280	0	43	-2.0	-97.30	377.23	-1.23	-98.53
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=NC=CC=C2[O-])C1	REAL300024651530	1	42	-2.0	-110.94	369.85	0.32	-110.62
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024651619	0	41	-2.0	-100.40	369.32	-5.19	-105.59
O=C(CN1C(=O)[N-]NC1=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024651705	0	43	-2.0	-103.79	383.47	-3.50	-107.29
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=COC(=O)[N-]2)C1	REAL300024652489	1	39	-2.0	-90.48	352.97	-4.08	-94.56
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC=C([O-])C=C2F)C1	REAL300024652551	1	43	-2.0	-98.98	379.26	0.51	-98.47
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300024652554	0	42	-2.0	-92.20	378.11	-0.34	-92.54
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=C[N-]N=CC2=O)C1	REAL300024652611	0	41	-2.0	-84.75	362.06	-0.94	-85.69
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC=CC(F)=C2[O-])C1	REAL300024652618	0	43	-2.0	-118.52	378.81	2.10	-116.42
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC=CC([O-])=C2F)C1	REAL300024652673	1	43	-2.0	-113.67	379.13	0.49	-113.18
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC(=O)N[N-]2)C1	REAL300024652737	0	40	-2.0	-93.54	357.80	-3.10	-96.64
C[PH](C)([O-])C(=O)C(=O)NC1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024652742	0	45	-2.0	-96.72	396.35	-2.26	-98.98
C[PH](C)([O-])C(=O)C(=O)NC1CCCN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024652742	1	45	-2.0	-96.72	396.35	-2.26	-98.98
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024652787	0	43	-2.0	-111.98	380.77	0.96	-111.02
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=NC(=O)N[N-]2)C1	REAL300024652801	0	39	-2.0	-91.55	352.36	-4.42	-95.97
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024652805	0	43	-2.0	-99.22	377.95	1.14	-98.08
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC(F)=CC=C2O)C1	REAL300024652901	0	43	-2.0	-107.71	379.00	2.09	-105.62
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC(F)=CC=C2[O-])C1	REAL300024652901	1	43	-2.0	-107.71	379.00	2.09	-105.62
CC1=CC=NC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300024652942	0	45	-2.0	-110.88	390.17	1.02	-109.86
CC1=CC=NC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024652942	1	45	-2.0	-110.88	390.17	1.02	-109.86
O=C(CC1=NC([O-])=CS1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024653075	0	42	-2.0	-119.60	384.31	-3.19	-122.79
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=C(O)C=CC=C2F)C1	REAL300024653085	0	43	-2.0	-102.63	384.56	0.38	-102.25
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=C([O-])C=CC=C2F)C1	REAL300024653085	1	43	-2.0	-102.63	384.56	0.38	-102.25
CC1=CC(=O)C(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024653170	0	44	-2.0	-99.75	386.49	0.67	-99.08
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024653185	0	43	-2.0	-133.15	377.84	1.95	-131.20
CN1N=C(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024653227	0	42	-2.0	-100.88	375.09	-2.92	-103.80
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300024653340	1	43	-2.0	-94.07	380.97	0.47	-93.60
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024653385	0	41	-2.0	-89.22	371.56	-5.39	-94.61
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024653385	1	41	-2.0	-89.22	371.56	-5.39	-94.61
NC1=NC=C(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N1	REAL300024653419	0	43	-2.0	-90.64	376.28	-2.23	-92.87
NC1=NC=C(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024653419	1	43	-2.0	-90.64	376.28	-2.23	-92.87
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC=NC=C2O)C1	REAL300024653494	0	42	-2.0	-111.38	367.87	0.22	-111.16
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC=NC=C2[O-])C1	REAL300024653494	1	42	-2.0	-111.38	367.87	0.22	-111.16
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024653499	0	39	-2.0	-96.38	352.57	-2.61	-98.99
CC1SC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024653514	0	42	-2.0	-95.70	384.31	-2.99	-98.69
CC1=C([O-])N=C(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024653514	1	42	-2.0	-95.70	384.31	-2.99	-98.69
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024653605	0	43	-2.0	-92.13	380.89	-3.93	-96.06
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CN(CCCNC(=O)C1=CN([O-])C(=O)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663159	0	42	-2.0	-104.53	383.21	0.68	-103.85
CN(CCCNC(=O)C1=CC(=O)NC([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663270	0	42	-2.0	-88.03	383.40	-4.23	-92.26
CN(CCCNC(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663281	1	38	-2.0	-89.92	355.47	-4.39	-94.31
CCN1[N-]C(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024663446	0	45	-2.0	-92.10	404.84	-0.77	-92.87
CN(CCCNC(=O)C1=CC=CC(=S)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024663466	0	42	-2.0	-121.84	391.76	2.73	-119.11
CN(CCCNC(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663489	0	41	-2.0	-94.81	377.89	-3.19	-98.00
CN(CCCNC(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663571	0	40	-2.0	-82.91	364.52	-1.24	-84.15
CN(CCCNC(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663662	0	39	-2.0	-88.71	360.30	-3.41	-92.12
CN(CCCNC(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)NN1	REAL300024663667	0	44	-2.0	-90.66	394.75	-2.37	-93.03
CN(CCCNC(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)[N-]N1	REAL300024663667	1	44	-2.0	-90.66	394.75	-2.37	-93.03
CN(CCCNC(=O)C1=CC=CN([O-])C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663695	0	42	-2.0	-102.94	380.52	0.83	-102.11
CC1SC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=NC1=O	REAL300024663721	0	41	-2.0	-96.55	386.84	-3.27	-99.82
CC1=C([O-])N=C(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024663721	1	41	-2.0	-96.55	386.84	-3.27	-99.82
CN(CCCNC(=O)C1=CC(=O)N([O-])C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663750	0	42	-2.0	-105.06	383.58	0.68	-104.38
CN(CCCNC(=O)C1=CC=CC(=O)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024663780	0	42	-2.0	-118.78	380.65	1.70	-117.08
CN(CCCNC(=O)CC1=NC([O-])=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024663937	0	41	-2.0	-108.70	387.08	-3.47	-112.17
CC1=CC(=O)C(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024664158	0	43	-2.0	-92.79	389.02	0.39	-92.40
CN(CCCNC(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664171	0	38	-2.0	-89.31	355.16	-4.68	-93.99
CN(CCCNC(=O)C1=CN=C(C=N[O-])S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664277	0	41	-2.0	-100.37	395.95	-1.80	-102.17
COC1=NC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300024664289	0	44	-2.0	-92.56	401.29	-5.37	-97.93
CN(CCCNC(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024664424	0	42	-2.0	-91.31	383.11	-1.70	-93.01
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC=C1[O-]	REAL300024664676	1	41	-2.0	-101.71	369.64	0.62	-101.09
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300024664795	0	40	-2.0	-94.51	369.70	-5.25	-99.76
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C(=O)[N-]NC1=O	REAL300024664945	0	42	-2.0	-95.92	386.25	-3.86	-99.78
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300024666173	1	42	-2.0	-97.74	392.31	1.03	-96.71
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300024666197	1	43	-2.0	-84.87	394.53	0.06	-84.81
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300024666294	1	38	-2.0	-86.04	352.73	-3.06	-89.10
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N-]C(=O)C(F)(F)F	REAL300024666358	0	41	-2.0	-87.96	390.69	-3.58	-91.54
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([O-])C=C1F	REAL300024666379	1	42	-2.0	-93.30	378.41	-0.21	-93.51
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC([O-])=CC(=O)O1	REAL300024666385	0	41	-2.0	-88.77	378.45	-0.78	-89.55
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300024666391	1	43	-2.0	-86.81	393.85	0.12	-86.69
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300024666408	0	43	-2.0	-100.37	396.30	-5.00	-105.37
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]N=CC1=O	REAL300024666481	0	40	-2.0	-87.31	371.27	-1.66	-88.97
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(F)=C1[O-]	REAL300024666489	0	42	-2.0	-106.17	381.79	0.59	-105.58
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC([O-])=C1F	REAL300024666573	1	42	-2.0	-103.18	382.03	-0.20	-103.38
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300024666666	0	39	-2.0	-88.17	358.16	-3.16	-91.33
CN(CCCNC(=O)CSC1=NC(=O)NN1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300024666672	0	44	-2.0	-92.44	392.86	-2.02	-94.46
CN(CCCNC(=O)CSC1=NC(=O)[N-]N1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300024666672	1	44	-2.0	-92.44	392.86	-2.02	-94.46
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300024666755	0	42	-2.0	-106.39	380.08	0.24	-106.15
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300024666777	0	38	-2.0	-86.88	352.95	-3.86	-90.74
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(O)C=CC=C1Cl	REAL300024666779	0	42	-2.0	-95.18	397.01	0.40	-94.78
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C([O-])C=CC=C1Cl	REAL300024666779	1	42	-2.0	-95.18	397.01	0.40	-94.78
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CN([O-])C1=O	REAL300024666783	0	42	-2.0	-112.44	387.43	0.45	-111.99
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(F)=CC=C1O	REAL300024666937	0	42	-2.0	-97.13	381.99	0.58	-96.55
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(F)=CC=C1[O-]	REAL300024666937	1	42	-2.0	-97.13	381.99	0.58	-96.55
CC1=CC=NC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300024666999	0	44	-2.0	-101.30	389.73	1.30	-100.00
CC1=CC=NC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300024666999	1	44	-2.0	-101.30	389.73	1.30	-100.00
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(=S)N1[O-]	REAL300024667102	0	42	-2.0	-114.29	398.70	0.87	-113.42
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([O-])C=C1Cl	REAL300024667235	1	42	-2.0	-91.37	386.53	0.23	-91.14
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=NC([O-])=CS1	REAL300024667246	0	41	-2.0	-108.83	386.81	-3.52	-112.35
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C([O-])C=CC=C1F	REAL300024667261	1	42	-2.0	-96.03	387.52	0.02	-96.01
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300024667262	0	44	-2.0	-96.72	402.35	-2.89	-99.61
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(F)C=C1[O-]	REAL300024667263	0	42	-2.0	-102.97	378.13	1.30	-101.67
CC1=CC=C(F)C([O-])=C1C(=O)N(C)CCCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024667293	0	45	-2.0	-101.10	406.97	0.57	-100.53
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300024667378	0	42	-2.0	-100.69	391.60	1.06	-99.63
CC1=CC(=O)C(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024667406	0	43	-2.0	-92.05	386.44	0.64	-91.41
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300024667428	0	42	-2.0	-111.02	387.60	0.25	-110.77
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300024667451	0	42	-2.0	-91.91	397.14	-1.83	-93.74
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300024667492	0	41	-2.0	-95.31	375.63	-3.00	-98.31
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(F)C=CC(O)=C1O	REAL300024667537	0	43	-2.0	-97.15	398.23	-1.92	-99.07
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300024667537	1	43	-2.0	-97.15	398.23	-1.92	-99.07
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300024667546	0	43	-2.0	-94.33	396.47	0.94	-93.39
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300024667626	0	42	-2.0	-90.32	388.56	-2.21	-92.53
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(F)C(O)=C1	REAL300024667674	0	42	-2.0	-90.53	379.88	-0.26	-90.79
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(F)C([O-])=C1	REAL300024667674	1	42	-2.0	-90.53	379.88	-0.26	-90.79
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(Cl)C=C1O	REAL300024667692	0	42	-2.0	-102.69	388.45	1.75	-100.94
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300024667692	1	42	-2.0	-102.69	388.45	1.75	-100.94
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024667755	0	40	-2.0	-89.15	370.83	-5.45	-94.60
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024667755	1	40	-2.0	-87.69	368.13	-4.27	-91.96
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C(N)[N-]C1=O	REAL300024667808	1	42	-2.0	-96.23	385.59	-3.00	-99.23
COC1=NC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300024667878	0	44	-2.0	-92.89	395.82	-4.49	-97.38
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300024667922	0	42	-2.0	-86.94	389.68	0.24	-86.70
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC=C1[O-]	REAL300024667929	0	41	-2.0	-100.75	371.09	-1.48	-102.23
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300024667935	0	38	-2.0	-92.39	352.57	-3.04	-95.43
CC1=C([O-])N=C(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024667956	1	41	-2.0	-91.83	384.37	-2.33	-94.16
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300024668043	1	44	-2.0	-89.64	404.00	-0.22	-89.86
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C(C=N[O-])S1	REAL300024668060	0	41	-2.0	-103.00	391.26	-2.31	-105.31
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300024668095	0	42	-2.0	-86.86	388.22	-4.43	-91.29
CCN1[N-]C(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024668149	0	45	-2.0	-91.67	402.14	-0.49	-92.16
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300024668166	0	42	-2.0	-90.93	380.39	-1.43	-92.36
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300024668295	1	42	-2.0	-92.30	379.84	-0.21	-92.51
CC1=C(CC(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N(C)[N-]1	REAL300024668355	0	48	-2.0	-99.67	424.05	-0.38	-100.05
CC1=CN=C(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300024668389	1	44	-2.0	-103.20	391.09	1.25	-101.95
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC([O-])=CS1	REAL300024668407	0	39	-2.0	-101.58	365.06	-1.45	-103.03
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300024668422	0	42	-2.0	-100.20	387.80	0.47	-99.73
CN(CCCNC(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668577	0	40	-2.0	-92.06	373.42	-6.46	-98.52
CN(CCCNC(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668577	1	40	-2.0	-85.89	374.34	-5.69	-91.58
CN(CCCNC(=O)CN1[N-]C(=O)C=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668710	0	44	-2.0	-95.05	402.08	-2.82	-97.87
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668717	0	38	-2.0	-92.71	355.04	-2.92	-95.63
CN(CCCNC(=O)C1=CN([O-])C(=O)NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024668728	0	42	-2.0	-89.42	385.77	-1.69	-91.11
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCN1C(=O)C1=COC(=O)[N-]1	REAL300024669055	1	45	-2.0	-92.06	375.59	-0.87	-92.93
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCN1C(=O)C1=CC(=O)N[N-]1	REAL300024669122	0	46	-2.0	-98.75	380.58	-1.00	-99.75
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCN1C(=O)C1=NC(=O)N[N-]1	REAL300024669176	0	45	-2.0	-95.91	373.03	-0.80	-96.71
CC(NC(=O)C1=COC(=O)[N-]1)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669524	1	45	-2.0	-102.27	377.19	-1.34	-103.61
CC(NC(=O)C1=CC(=O)N[N-]1)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669576	0	46	-2.0	-106.00	381.70	-0.38	-106.38
CC(NC(=O)C1=NC(=O)N[N-]1)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669586	0	45	-2.0	-104.95	376.31	-1.67	-106.62
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024669731	0	45	-2.0	-107.41	376.76	0.14	-107.27
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300024669863	0	45	-2.0	-103.31	375.53	-1.03	-104.34
CCN(CCCNC(=O)C1=NNC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024670926	0	43	-2.0	-92.54	388.07	-4.66	-97.20
CCN(CCCNC(=O)C1=CN([O-])C(=O)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671301	0	45	-2.0	-104.23	403.18	1.60	-102.63
CCN(CCCNC(=O)C1=CC(=O)NC([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671370	0	45	-2.0	-87.78	399.61	-3.42	-91.20
CCN(CCCNC(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671380	1	41	-2.0	-89.76	371.67	-3.59	-93.35
CCN(CCCNC(=O)C1=CC(=O)N(CC)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671483	0	48	-2.0	-91.79	421.05	0.04	-91.75
CCN(CCCNC(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671507	0	44	-2.0	-94.46	397.86	-2.27	-96.73
CCN(CCCNC(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671554	0	43	-2.0	-82.79	380.73	-0.44	-83.23
CCN(CCCNC(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671608	0	42	-2.0	-88.52	376.51	-2.60	-91.12
CCN(CCCNC(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)NN1	REAL300024671613	0	47	-2.0	-90.32	414.71	-1.47	-91.79
CCN(CCCNC(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)[N-]N1	REAL300024671613	1	47	-2.0	-90.32	414.71	-1.47	-91.79
CCN(CCCNC(=O)C1=CC=CN([O-])C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671633	0	45	-2.0	-102.96	396.73	1.64	-101.32
CCN(CCCNC(=O)C1=CC(=O)N([O-])C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671661	0	45	-2.0	-104.80	403.55	1.59	-103.21
CCN(CCCNC(=O)C1=CC=CC(=O)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024671681	0	45	-2.0	-118.50	400.62	2.61	-115.89
CCN(CCCNC(=O)C1=N[N-]C(C)=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671908	0	46	-2.0	-92.54	405.23	1.20	-91.34
CCN(CCCNC(=O)C1=NNC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024671917	0	41	-2.0	-91.60	375.03	-3.93	-95.53
CCN(CCCNC(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024672074	0	45	-2.0	-91.06	399.32	-0.89	-91.95
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC=C1[O-]	REAL300024672324	1	44	-2.0	-102.14	388.41	1.83	-100.31
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300024672413	0	43	-2.0	-95.04	387.65	-4.13	-99.17
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300024673234	1	41	-2.0	-85.85	369.42	-1.92	-87.77
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([O-])C=C1F	REAL300024673293	1	45	-2.0	-92.45	395.97	0.59	-91.86
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC([O-])=CC(=O)O1	REAL300024673296	0	44	-2.0	-89.25	396.45	0.12	-89.13
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]N=CC1=O	REAL300024673349	0	43	-2.0	-88.01	386.52	-0.94	-88.95
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(F)=C1[O-]	REAL300024673356	0	45	-2.0	-108.34	395.52	2.06	-106.28
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC([O-])=C1F	REAL300024673406	1	45	-2.0	-105.16	395.83	0.60	-104.56
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300024673466	0	42	-2.0	-88.47	376.25	-2.06	-90.53
CCN(CCCNC(=O)CSC1=NC(=O)NN1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300024673471	0	47	-2.0	-92.84	411.08	-1.06	-93.90
CCN(CCCNC(=O)CSC1=NC(=O)[N-]N1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300024673471	1	47	-2.0	-92.84	411.08	-1.06	-93.90
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300024673516	0	45	-2.0	-105.46	397.45	1.11	-104.35
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300024673530	0	41	-2.0	-86.83	371.16	-2.37	-89.20
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CN([O-])C1=O	REAL300024673533	0	45	-2.0	-112.47	408.16	1.43	-111.04
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(F)=CC=C1O	REAL300024673626	0	45	-2.0	-98.69	395.71	2.06	-96.63
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(F)=CC=C1[O-]	REAL300024673626	1	45	-2.0	-98.69	395.71	2.06	-96.63
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC(C)=C1O	REAL300024673666	0	47	-2.0	-101.56	405.76	2.42	-99.14
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC(C)=C1[O-]	REAL300024673666	1	47	-2.0	-101.56	405.76	2.42	-99.14
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=N[N-]C(C)=CC1=O	REAL300024673880	0	46	-2.0	-92.58	405.11	1.71	-90.87
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300024673894	0	45	-2.0	-121.81	394.72	1.95	-119.86
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300024673935	0	44	-2.0	-95.71	393.83	-1.92	-97.63
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(F)C(O)=C1	REAL300024674042	0	45	-2.0	-90.42	397.32	0.59	-89.83
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(F)C([O-])=C1	REAL300024674042	1	45	-2.0	-90.42	397.32	0.59	-89.83
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024674084	0	43	-2.0	-89.32	389.48	-4.01	-93.33
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024674084	1	43	-2.0	-84.41	389.78	-3.12	-87.53
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C(N)[N-]C1=O	REAL300024674116	1	45	-2.0	-96.95	406.29	-2.05	-99.00
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC=C1[O-]	REAL300024674184	0	44	-2.0	-99.91	394.70	-0.85	-100.76
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300024674189	0	41	-2.0	-92.95	371.88	-2.18	-95.13
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300024674287	0	45	-2.0	-86.87	408.95	-3.45	-90.32
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(CC)[N-]1	REAL300024674323	0	48	-2.0	-92.18	421.24	0.54	-91.64
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300024674338	0	45	-2.0	-91.38	399.50	-0.39	-91.77
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300024674416	1	45	-2.0	-92.00	397.29	0.62	-91.38
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=C(C)C=C1[O-]	REAL300024674467	1	47	-2.0	-103.66	409.85	2.47	-101.19
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC([O-])=CS1	REAL300024674478	0	42	-2.0	-102.67	381.93	-0.74	-103.41
CCN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300024674489	0	45	-2.0	-100.02	403.68	1.21	-98.81
CCN(CCCNC(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024674580	0	43	-2.0	-85.59	394.31	-4.78	-90.37
CCN(CCCNC(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024674580	1	43	-2.0	-85.59	394.31	-4.78	-90.37
CCN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024674668	0	41	-2.0	-92.45	371.25	-2.12	-94.57
O=C(CSC1=NNC(=O)[N-]1)N(CCCNC(=O)C1=COC(=O)[N-]1)C1CC1	REAL300024675388	1	42	-2.0	-92.13	378.64	-3.01	-95.14
CN1N=C(C(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)[N-]C1=O	REAL300024675472	0	45	-2.0	-93.47	403.93	-1.83	-95.30
O=C(CSC1=NNC(=O)[N-]1)N(CCCNC(=O)C1=C[N-]N=CC1=O)C1CC1	REAL300024675500	0	44	-2.0	-85.02	387.68	0.14	-84.88
O=C(CSC1=NNC(=O)[N-]1)N(CCCNC(=O)C1=CC(=O)N[N-]1)C1CC1	REAL300024675534	0	43	-2.0	-87.69	386.25	-2.03	-89.72
O=C(CSC1=NNC(=O)[N-]1)N(CCCNC(=O)C1=NC(=O)N[N-]1)C1CC1	REAL300024675695	0	42	-2.0	-88.07	381.27	-3.33	-91.40
CN1[N-]C(C(=O)NCCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)=CC1=O	REAL300024675778	0	46	-2.0	-90.24	409.06	-0.32	-90.56
O=C(CSC1=NNC(=O)[N-]1)NCCCN(C(=O)C1=NC=CC=C1[O-])C1CC1	REAL300024676026	1	45	-2.0	-98.52	391.87	2.20	-96.32
O=C(CSC1=NNC(=O)[N-]1)NCCCN(C(=O)C1=COC(=O)[N-]1)C1CC1	REAL300024676489	1	42	-2.0	-90.88	375.50	-1.11	-91.99
O=C(CSC1=NNC(=O)[N-]1)NCCCN(C(=O)C1=C[N-]N=CC1=O)C1CC1	REAL300024676556	0	44	-2.0	-83.40	385.95	-0.63	-84.03
O=C(CSC1=NNC(=O)[N-]1)NCCCN(C(=O)C1=CC(=O)N[N-]1)C1CC1	REAL300024676613	0	43	-2.0	-89.95	380.36	-1.55	-91.50
O=C(CSC1=NNC(=O)[N-]1)NCCCN(C(=O)C1=NC(=O)N[N-]1)C1CC1	REAL300024676645	0	42	-2.0	-91.39	374.45	-1.79	-93.18
CN1N=C(C(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)[N-]C1=O	REAL300024676848	0	45	-2.0	-95.97	397.11	-1.33	-97.30
O=C(CSC1=NNC(=O)[N-]1)NCCCN(C(=O)C1=CC=NC=C1[O-])C1CC1	REAL300024676966	0	45	-2.0	-99.18	389.71	0.57	-98.61
O=C(CSC1=NNC(=O)[N-]1)NCCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300024676968	0	42	-2.0	-96.95	375.60	-1.58	-98.53
CN1[N-]C(C(=O)N(CCCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=CC1=O	REAL300024677048	0	46	-2.0	-91.73	402.87	0.18	-91.55
O=C(CSC1=NNC(=O)[N-]1)NCCCN(C(=O)C1=CC([O-])=CS1)C1CC1	REAL300024677132	0	43	-2.0	-104.37	383.24	-0.21	-104.58
O=C(CSC1=NNC(=O)[N-]1)N(CCCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300024677251	0	42	-2.0	-91.39	381.42	-1.56	-92.95
CN(C(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024677955	1	42	-2.0	-85.51	364.32	-1.06	-86.57
CN(C(=O)C1=NN(C)C(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678039	0	45	-2.0	-91.90	386.70	-0.89	-92.79
CN(C(=O)C1=C[N-]N=CC1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678067	0	44	-2.0	-84.75	382.25	0.45	-84.30
CN(C(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678101	0	43	-2.0	-85.49	369.13	-1.04	-86.53
CN(C(=O)C1=NC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678262	0	42	-2.0	-85.24	363.95	-1.74	-86.98
CN(C(=O)C1=CC(=O)N(C)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024678345	0	46	-2.0	-88.04	392.00	0.66	-87.38
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300024678593	1	45	-2.0	-96.95	383.13	1.99	-94.96
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300024679056	1	42	-2.0	-84.45	363.25	-1.03	-85.48
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300024679123	0	44	-2.0	-81.14	376.21	0.34	-80.80
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300024679180	0	43	-2.0	-84.64	368.52	-1.07	-85.71
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300024679212	0	42	-2.0	-84.06	362.90	-1.73	-85.79
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1	REAL300024679415	0	45	-2.0	-90.82	385.80	-0.93	-91.75
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC=NC=C2[O-])CC1	REAL300024679533	0	45	-2.0	-95.00	383.62	0.24	-94.76
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300024679535	0	42	-2.0	-89.09	363.07	-1.17	-90.26
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1	REAL300024679615	0	46	-2.0	-86.77	390.93	0.58	-86.19
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC([O-])=CS2)CC1	REAL300024679699	0	43	-2.0	-94.59	377.93	0.74	-93.85
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024679818	0	42	-2.0	-89.49	364.16	-0.92	-90.41
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024680546	0	41	-2.0	-100.40	369.32	-5.19	-105.59
O=C(CN1C(=O)[N-]NC1=O)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024680594	0	43	-2.0	-103.79	383.47	-3.50	-107.29
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024680934	0	43	-2.0	-112.39	380.40	0.97	-111.42
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024681009	0	43	-2.0	-92.13	380.89	-3.93	-96.06
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=COC(=O)[N-]2)C1	REAL300024681020	1	39	-2.0	-90.48	352.97	-4.08	-94.56
CCN1[N-]C(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024681125	0	46	-2.0	-97.45	402.31	-0.47	-97.92
CN1N=C(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024681151	0	42	-2.0	-100.88	375.09	-2.92	-103.80
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=C[N-]N=CC2=O)C1	REAL300024681203	0	41	-2.0	-84.75	362.06	-0.94	-85.69
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC(=O)N[N-]2)C1	REAL300024681261	0	40	-2.0	-93.54	357.80	-3.10	-96.64
C[PH](C)([O-])C(=O)C(=O)NC1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024681266	0	45	-2.0	-96.72	396.35	-2.26	-98.98
C[PH](C)([O-])C(=O)C(=O)NC1CCCN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024681266	1	45	-2.0	-96.72	396.35	-2.26	-98.98
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024681286	0	43	-2.0	-99.22	377.95	1.14	-98.08
CC1SC(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024681305	0	42	-2.0	-95.70	384.31	-2.99	-98.69
CC1=C([O-])N=C(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024681305	1	42	-2.0	-95.70	384.31	-2.99	-98.69
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024681319	0	43	-2.0	-111.98	380.77	0.96	-111.02
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024681340	0	43	-2.0	-133.15	377.84	1.95	-131.20
O=C(CC1=NC([O-])=CS1)NC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024681441	0	42	-2.0	-119.60	384.31	-3.19	-122.79
CC1=CC(=O)C(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024681579	0	44	-2.0	-99.75	386.49	0.67	-99.08
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=NC(=O)N[N-]2)C1	REAL300024681589	0	39	-2.0	-91.55	352.36	-4.42	-95.97
CN1[N-]C(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024681755	0	43	-2.0	-96.51	380.61	-1.38	-97.89
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=NC=CC=C2O)C1	REAL300024682005	0	42	-2.0	-113.70	366.88	0.71	-112.99
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300024682005	1	42	-2.0	-113.70	366.88	0.71	-112.99
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024682094	0	41	-2.0	-102.40	366.47	-5.13	-107.53
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024682180	0	43	-2.0	-106.17	383.47	-3.61	-109.78
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024682964	1	39	-2.0	-90.20	349.86	-2.86	-93.06
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300024683026	1	43	-2.0	-99.58	378.82	0.07	-99.51
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300024683029	0	42	-2.0	-93.44	377.20	-0.51	-93.95
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300024683086	0	41	-2.0	-102.08	368.31	-1.38	-103.46
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300024683093	0	43	-2.0	-120.78	381.00	0.42	-120.36
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300024683148	1	43	-2.0	-113.75	381.27	0.09	-113.66
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024683212	0	40	-2.0	-94.29	354.53	-2.92	-97.21
C[PH](C)([O-])C(=O)C(=O)N1CCCC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024683217	0	45	-2.0	-96.96	387.94	-2.54	-99.50
C[PH](C)([O-])C(=O)C(=O)N1CCCC(NC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024683217	1	45	-2.0	-96.96	387.94	-2.54	-99.50
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024683262	0	43	-2.0	-106.99	385.67	0.75	-106.24
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024683276	0	39	-2.0	-91.35	349.31	-3.54	-94.89
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300024683280	0	43	-2.0	-111.98	378.63	0.52	-111.46
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300024683376	0	43	-2.0	-110.41	378.53	1.27	-109.14
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300024683376	1	43	-2.0	-110.41	378.53	1.27	-109.14
CC1=CC=NC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300024683417	0	45	-2.0	-114.60	389.77	0.87	-113.73
CC1=CC=NC(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024683417	1	45	-2.0	-114.60	389.77	0.87	-113.73
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300024683550	0	42	-2.0	-116.64	384.31	-3.25	-119.89
CC1=CC(=O)C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024683645	0	44	-2.0	-101.51	383.67	0.76	-100.75
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024683660	0	43	-2.0	-125.73	384.63	0.51	-125.22
CN1N=C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024683702	0	42	-2.0	-102.43	372.19	-2.75	-105.18
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300024683815	0	43	-2.0	-95.38	381.52	0.07	-95.31
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300024683815	1	43	-2.0	-95.38	381.52	0.07	-95.31
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024683860	0	41	-2.0	-90.98	368.04	-5.36	-96.34
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024683860	1	41	-2.0	-89.11	368.63	-4.61	-93.72
NC1=NC=C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024683894	1	43	-2.0	-99.75	376.98	-2.82	-102.57
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300024683969	0	42	-2.0	-113.47	369.85	-1.61	-115.08
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024683974	0	39	-2.0	-97.65	349.35	-2.97	-100.62
CC1=C([O-])N=C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024683989	1	42	-2.0	-95.13	381.74	-2.14	-97.27
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024684080	0	43	-2.0	-92.49	385.72	-4.16	-96.65
CCN1[N-]C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024684118	0	46	-2.0	-98.36	399.05	-0.30	-98.66
CN1[N-]C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024684134	0	43	-2.0	-97.30	377.23	-1.23	-98.53
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300024684214	1	43	-2.0	-106.26	379.71	0.06	-106.20
CC1=CN=C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024684269	1	45	-2.0	-115.21	388.31	1.35	-113.86
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC([O-])=CS2)C1	REAL300024684281	0	40	-2.0	-106.60	364.16	-1.11	-107.71
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024684292	0	43	-2.0	-108.78	385.02	0.73	-108.05
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024684386	0	41	-2.0	-89.22	371.56	-5.39	-94.61
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024684386	1	41	-2.0	-89.22	371.56	-5.39	-94.61
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024684485	0	39	-2.0	-96.38	352.57	-2.61	-98.99
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CCNC(=O)C2=COC(=O)[N-]2)CC1	REAL300024685151	1	44	-2.0	-85.57	386.90	-6.01	-91.58
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CCNC(=O)C2=CC(=O)N[N-]2)CC1	REAL300024685217	0	45	-2.0	-86.28	391.72	-5.02	-91.30
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CCNC(=O)C2=NC(=O)N[N-]2)CC1	REAL300024685276	0	44	-2.0	-85.41	387.41	-6.13	-91.54
O=C(CSC1=NNC(=O)[N-]1)NCCN1CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300024685602	1	44	-2.0	-88.11	384.53	-4.56	-92.67
O=C(CSC1=NNC(=O)[N-]1)NCCN1CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300024685649	0	45	-2.0	-87.55	389.40	-4.67	-92.22
O=C(CSC1=NNC(=O)[N-]1)NCCN1CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300024685658	0	44	-2.0	-87.72	384.17	-5.26	-92.98
O=C(CSC1=NNC(=O)[N-]1)NCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300024685783	0	44	-2.0	-92.41	384.35	-4.69	-97.10
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300024685900	0	44	-2.0	-90.05	387.56	-4.37	-94.42
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024687040	0	38	-2.0	-95.25	355.95	-5.94	-101.19
O=C(CN1C(=O)[N-]NC1=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024687124	0	40	-2.0	-98.96	370.04	-4.28	-103.24
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024687710	0	40	-2.0	-106.52	366.08	0.21	-106.31
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024687824	0	40	-2.0	-88.51	367.46	-4.70	-93.21
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=COC(=O)[N-]2)C1	REAL300024687835	1	36	-2.0	-87.57	339.53	-4.86	-92.43
O=C(CSC1=NNC(=O)[N-]1)N1CCC([N-]C(=O)C(F)(F)C(F)(F)F)C1	REAL300024687924	0	35	-2.0	-82.76	343.76	-1.56	-84.32
CCN1[N-]C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024688004	0	43	-2.0	-92.75	388.95	-1.23	-93.98
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC=CC(=S)N2[O-])C1	REAL300024688026	0	40	-2.0	-125.91	374.63	2.25	-123.66
CN1N=C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024688050	0	39	-2.0	-95.97	361.61	-3.67	-99.64
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=C[N-]N=CC2=O)C1	REAL300024688138	0	38	-2.0	-81.08	347.64	-1.71	-82.79
CC1=C(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N(C)[N-]1	REAL300024688179	0	46	-2.0	-103.92	407.84	-0.83	-104.75
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC(=O)N[N-]2)C1	REAL300024688233	0	37	-2.0	-89.14	344.36	-3.87	-93.01
C[PH](C)([O-])C(=O)C(=O)NC1CCN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024688238	1	42	-2.0	-91.39	381.95	-3.04	-94.43
CN1[N-]C(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024688241	0	43	-2.0	-103.33	387.86	-1.52	-104.85
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024688268	0	40	-2.0	-96.97	364.56	0.36	-96.61
CC1=C([O-])N=C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024688296	1	39	-2.0	-93.40	370.93	-3.75	-97.15
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300024688309	1	39	-2.0	-86.04	374.54	-0.58	-86.62
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024688326	0	40	-2.0	-108.18	367.37	0.20	-107.98
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024688359	0	40	-2.0	-122.19	363.52	1.21	-120.98
O=C(C[N-]C(=O)C(F)(F)F)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688479	0	39	-2.0	-89.76	374.52	-3.99	-93.75
NC1=NC([O-])=C(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024688480	0	41	-2.0	-107.63	385.69	-4.82	-112.45
O=C(CC1=NC([O-])=CS1)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688524	0	39	-2.0	-111.04	370.88	-3.96	-115.00
O=C(CN1N=CC(=O)[N-]C1=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024688551	0	41	-2.0	-101.10	380.37	-5.39	-106.49
CC1=CC(=O)C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024688753	0	41	-2.0	-93.75	373.11	-0.08	-93.83
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=NNC(=O)[N-]2)C1	REAL300024688768	0	36	-2.0	-93.01	338.88	-5.33	-98.34
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CN=C(C=N[O-])S2)C1	REAL300024688876	0	39	-2.0	-101.04	378.79	-2.27	-103.31
COC1=NC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC(=O)[N-]1	REAL300024688889	0	42	-2.0	-94.10	385.08	-5.86	-99.96
CN1[N-]C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024689032	0	40	-2.0	-91.93	367.18	-2.16	-94.09
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300024689284	1	39	-2.0	-107.21	352.63	-0.04	-107.25
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024689405	0	38	-2.0	-96.92	352.25	-5.81	-102.73
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024689564	0	40	-2.0	-91.66	368.79	-4.34	-96.00
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300024690870	1	40	-2.0	-104.38	375.20	0.70	-103.68
N#CC1=CC([O-])=CC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024690895	1	41	-2.0	-96.45	376.19	-0.53	-96.98
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024690994	1	36	-2.0	-88.63	336.14	-3.98	-92.61
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300024691060	0	39	-2.0	-91.69	374.52	-4.04	-95.73
NC1=NC([O-])=C(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024691061	0	41	-2.0	-103.81	384.39	-4.86	-108.67
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300024691070	0	40	-2.0	-87.77	377.08	-0.41	-88.18
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300024691083	1	40	-2.0	-94.91	365.15	-0.65	-95.56
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300024691089	0	39	-2.0	-88.03	360.34	-1.26	-89.29
N#CC1=CC=C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C=C1[O-]	REAL300024691095	1	41	-2.0	-87.74	376.72	-0.35	-88.09
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300024691098	0	39	-2.0	-100.05	370.29	-1.18	-101.23
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300024691114	0	41	-2.0	-95.80	380.24	-5.42	-101.22
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300024691192	0	38	-2.0	-89.94	354.50	-2.07	-92.01
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300024691201	0	40	-2.0	-114.04	364.64	0.38	-113.66
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300024691287	1	40	-2.0	-108.40	364.90	-0.67	-109.07
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024691385	0	37	-2.0	-89.15	340.12	-3.68	-92.83
C[PH](C)([O-])C(=O)C(=O)N1CCC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024691391	0	42	-2.0	-94.85	379.01	-3.05	-97.90
C[PH](C)([O-])C(=O)C(=O)N1CCC(NC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024691391	1	42	-2.0	-94.85	379.01	-3.05	-97.90
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024691477	0	40	-2.0	-106.66	360.99	-0.29	-106.95
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024691501	0	36	-2.0	-89.02	335.81	-4.60	-93.62
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=C(O)C=CC=C2Cl)C1	REAL300024691503	0	40	-2.0	-102.51	380.44	-0.04	-102.55
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300024691503	1	40	-2.0	-102.51	380.44	-0.04	-102.55
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300024691507	0	40	-2.0	-112.46	370.58	0.03	-112.43
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300024691536	0	40	-2.0	-97.70	377.49	-0.47	-98.17
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300024691536	1	40	-2.0	-97.70	377.49	-0.47	-98.17
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300024691671	0	40	-2.0	-103.52	364.89	0.25	-103.27
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300024691671	1	40	-2.0	-103.52	364.89	0.25	-103.27
CC1=CC=NC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300024691734	0	42	-2.0	-107.06	372.96	0.64	-106.42
CC1=CC=NC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024691734	1	42	-2.0	-107.06	372.96	0.64	-106.42
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300024691848	0	40	-2.0	-122.42	381.80	0.45	-121.97
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300024691952	0	39	-2.0	-84.41	370.32	-1.13	-85.54
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=C(O)C=C2Cl)C1	REAL300024691989	0	40	-2.0	-93.12	373.87	-0.22	-93.34
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300024691989	1	40	-2.0	-93.12	373.87	-0.22	-93.34
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300024692000	0	39	-2.0	-104.72	369.64	-3.99	-108.71
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300024692017	0	42	-2.0	-93.81	386.01	-3.32	-97.13
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300024692134	0	40	-2.0	-97.00	371.24	-0.58	-97.58
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300024692140	0	40	-2.0	-108.42	374.44	0.86	-107.56
CC1=CC(=O)C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024692168	0	41	-2.0	-96.43	369.44	0.05	-96.38
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024692193	0	40	-2.0	-119.24	370.70	-0.18	-119.42
N#CC1=CC=C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024692217	0	40	-2.0	-93.88	380.33	-2.26	-96.14
CN1N=C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024692261	0	39	-2.0	-97.80	358.49	-3.57	-101.37
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300024692308	0	41	-2.0	-105.29	381.86	-2.37	-107.66
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300024692308	1	41	-2.0	-105.29	381.86	-2.37	-107.66
N#CC1=CC=C([O-])C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024692317	0	41	-2.0	-100.37	379.35	0.58	-99.79
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300024692399	0	40	-2.0	-96.60	375.91	-2.53	-99.13
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300024692450	0	40	-2.0	-91.39	362.76	-0.72	-92.11
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300024692450	1	40	-2.0	-91.39	362.76	-0.72	-92.11
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=C(Cl)C=C2O)C1	REAL300024692468	0	40	-2.0	-107.15	375.23	0.67	-106.48
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300024692468	1	40	-2.0	-107.15	375.23	0.67	-106.48
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024692533	0	38	-2.0	-89.50	353.83	-6.24	-95.74
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024692533	1	38	-2.0	-86.51	354.49	-5.50	-92.01
NC1=NC=C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024692587	1	40	-2.0	-102.50	369.08	-3.41	-105.91
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300024692620	0	40	-2.0	-107.52	371.19	-0.61	-108.13
COC1=NC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC(=O)[N-]1	REAL300024692662	0	42	-2.0	-96.02	379.88	-5.26	-101.28
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300024692671	0	39	-2.0	-103.15	368.83	0.48	-102.67
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300024692709	0	40	-2.0	-88.01	372.55	-0.25	-88.26
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300024692717	0	39	-2.0	-106.90	353.36	-1.69	-108.59
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024692723	0	36	-2.0	-93.27	336.07	-3.56	-96.83
CC1=C([O-])N=C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024692745	1	39	-2.0	-93.75	367.94	-3.17	-96.92
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300024692836	1	42	-2.0	-92.95	378.64	-0.56	-93.51
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300024692853	0	39	-2.0	-103.39	373.95	-2.64	-106.03
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300024692873	1	39	-2.0	-87.39	370.61	-0.22	-87.61
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024692893	0	40	-2.0	-88.47	371.48	-4.86	-93.33
CCN1[N-]C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024692949	0	43	-2.0	-94.53	385.52	-1.12	-95.65
CN1[N-]C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024692967	0	40	-2.0	-93.56	363.71	-2.05	-95.61
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300024693103	1	40	-2.0	-94.78	362.74	-0.70	-95.48
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300024693146	0	40	-2.0	-95.18	367.55	-0.72	-95.90
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300024693151	0	39	-2.0	-104.99	369.55	-1.24	-106.23
CC1=C(CC(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N(C)[N-]1	REAL300024693166	0	46	-2.0	-96.03	406.66	-0.88	-96.91
CC1=CN=C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024693201	1	42	-2.0	-108.76	374.08	0.60	-108.16
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC([O-])=CS2)C1	REAL300024693221	0	37	-2.0	-102.34	347.58	-1.77	-104.11
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024693237	0	40	-2.0	-102.66	371.04	0.04	-102.62
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024693399	0	38	-2.0	-90.21	357.52	-6.92	-97.13
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024693399	1	38	-2.0	-85.48	358.16	-6.16	-91.64
O=C(CN1[N-]C(=O)C=CC1=O)NC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024693537	0	42	-2.0	-99.62	386.20	-3.29	-102.91
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024693544	0	36	-2.0	-92.99	339.16	-3.39	-96.38
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300024693555	0	40	-2.0	-88.82	368.98	-2.15	-90.97
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC2NC(=O)C2=COC(=O)[N-]2)CC1	REAL300024693933	1	43	-2.0	-89.50	381.65	-2.61	-92.11
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC2NC(=O)C2=CC(=O)N[N-]2)CC1	REAL300024694015	0	44	-2.0	-88.58	386.49	-1.62	-90.20
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC2NC(=O)C2=NNC(=O)[N-]2)CC1	REAL300024694086	0	43	-2.0	-92.06	381.04	-3.07	-95.13
O=C(CSC1=NNC(=O)[N-]1)NC1CC12CCN(C(=O)C1=COC(=O)[N-]1)CC2	REAL300024694455	1	43	-2.0	-87.26	378.23	-1.33	-88.59
O=C(CSC1=NNC(=O)[N-]1)NC1CC12CCN(C(=O)C1=CC(=O)N[N-]1)CC2	REAL300024694509	0	44	-2.0	-88.44	383.09	-1.44	-89.88
O=C(CSC1=NNC(=O)[N-]1)NC1CC12CCN(C(=O)C1=NC(=O)N[N-]1)CC2	REAL300024694522	0	43	-2.0	-87.41	377.82	-2.07	-89.48
O=C(CSC1=NNC(=O)[N-]1)NC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300024694671	0	43	-2.0	-93.79	378.05	-1.49	-95.28
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300024694817	0	43	-2.0	-92.99	381.22	-1.13	-94.12
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=NNC(=O)[N-]C1=O)C1CC1	REAL300024695914	0	41	-2.0	-90.02	374.40	-5.31	-95.33
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)CN1C(=O)[N-]NC1=O)C1CC1	REAL300024695962	0	43	-2.0	-90.75	391.43	-4.17	-94.92
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=CN([O-])C(=O)C=C1)C1CC1	REAL300024696302	0	43	-2.0	-101.84	388.39	0.30	-101.54
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=CC(=O)NC([O-])=C1)C1CC1	REAL300024696377	0	43	-2.0	-88.07	385.94	-4.08	-92.15
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=COC(=O)[N-]1)C1CC1	REAL300024696388	1	39	-2.0	-90.58	360.94	-4.77	-95.35
CCN1[N-]C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=CC1=O	REAL300024696493	0	46	-2.0	-89.67	410.31	-1.14	-90.81
CN1N=C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)[N-]C1=O	REAL300024696519	0	42	-2.0	-92.41	380.09	-3.03	-95.44
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=C[N-]N=CC1=O)C1CC1	REAL300024696571	0	41	-2.0	-81.60	369.99	-1.61	-83.21
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=CC(=O)N[N-]1)C1CC1	REAL300024696629	0	40	-2.0	-87.05	365.77	-3.79	-90.84
C[PH](C)([O-])C(=O)C(=O)NCC(NC(=O)CSC1=NC(=O)NN1)C1CC1	REAL300024696634	0	45	-2.0	-91.75	404.31	-2.94	-94.69
C[PH](C)([O-])C(=O)C(=O)NCC(NC(=O)CSC1=NC(=O)[N-]N1)C1CC1	REAL300024696634	1	45	-2.0	-91.75	404.31	-2.94	-94.69
O=C(CCC1=NC(=O)NN1)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696652	0	45	-2.0	-100.00	401.68	-4.10	-104.10
O=C(CCC1=NC(=O)[N-]N1)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024696652	1	45	-2.0	-100.00	401.68	-4.10	-104.10
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=CC=CN([O-])C1=O)C1CC1	REAL300024696654	0	43	-2.0	-104.84	383.07	0.99	-103.85
CC1SC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=NC1=O	REAL300024696673	0	42	-2.0	-98.61	389.38	-3.11	-101.72
CC1=C([O-])N=C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)S1	REAL300024696673	1	42	-2.0	-98.61	389.38	-3.11	-101.72
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CCN1[N-]C(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=CC1=O	REAL300024699486	0	46	-2.0	-89.69	410.30	-1.13	-90.82
CN1[N-]C(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=CC1=O	REAL300024699502	0	43	-2.0	-89.20	385.65	-1.53	-90.73
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O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300024699853	0	39	-2.0	-92.47	360.51	-3.30	-95.77
CN(CC1CCCN(C(=O)C2=COC(=O)[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024700203	1	45	-2.0	-95.08	383.35	-0.27	-95.35
CN(CC1CCCN(C(=O)C2=CC(=O)N[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024700281	0	46	-2.0	-99.06	387.84	-0.37	-99.43
CN(CC1CCCN(C(=O)C2=NC(=O)N[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024700349	0	45	-2.0	-92.62	383.45	-0.99	-93.61
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=COC(=O)[N-]1	REAL300024700705	1	45	-2.0	-97.12	383.80	-0.20	-97.32
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)N[N-]1	REAL300024700757	0	46	-2.0	-100.40	388.66	-0.29	-100.69
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=NC(=O)N[N-]1	REAL300024700767	0	45	-2.0	-98.98	383.46	-0.93	-99.91
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300024700912	0	45	-2.0	-103.68	383.34	-0.19	-103.87
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024701051	0	45	-2.0	-99.14	383.32	-0.40	-99.54
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC(C1)N2C(=O)C1=COC(=O)[N-]1	REAL300024701754	1	40	-2.0	-85.43	350.67	-0.91	-86.34
CN1N=C(C(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)[N-]C1=O	REAL300024701841	0	43	-2.0	-91.35	373.41	-0.66	-92.01
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC(C1)N2C(=O)C1=C[N-]N=CC1=O	REAL300024701873	0	42	-2.0	-85.57	369.08	0.76	-84.81
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC(C1)N2C(=O)C1=CC(=O)N[N-]1	REAL300024701907	0	41	-2.0	-84.70	355.66	-0.80	-85.50
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CN1[N-]C(C(=O)N2C3CCC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)=CC1=O	REAL300024702163	0	44	-2.0	-87.52	378.68	0.85	-86.67
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=NC=CC=C1[O-])C2	REAL300024702412	1	43	-2.0	-96.96	368.28	2.91	-94.05
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=COC(=O)[N-]1)C2	REAL300024702887	1	40	-2.0	-84.95	350.86	-0.69	-85.64
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300024702957	0	42	-2.0	-83.08	369.63	0.72	-82.36
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300024703016	0	41	-2.0	-84.66	356.20	-0.75	-85.41
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300024703050	0	40	-2.0	-84.32	350.51	-1.38	-85.70
CN1N=C(C(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024703264	0	43	-2.0	-90.29	373.44	-0.61	-90.90
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=CC=NC=C1[O-])C2	REAL300024703394	0	43	-2.0	-93.04	370.36	1.18	-91.86
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300024703397	0	40	-2.0	-88.69	351.02	-0.69	-89.38
CN1[N-]C(C(=O)N2CC3CCC(C2)N3C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024703484	0	44	-2.0	-87.09	379.00	0.96	-86.13
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=CC([O-])=CS1)C2	REAL300024703574	0	41	-2.0	-93.43	364.96	1.01	-92.42
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300024703699	0	40	-2.0	-88.88	350.50	-0.67	-89.55
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024704944	0	38	-2.0	-97.49	352.39	-5.83	-103.32
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024705028	0	40	-2.0	-91.50	368.78	-4.34	-95.84
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024705614	0	40	-2.0	-100.90	371.26	0.03	-100.87
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024705728	0	40	-2.0	-88.85	371.66	-4.88	-93.73
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024705739	1	36	-2.0	-88.73	336.20	-4.00	-92.73
CCN1[N-]C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024705908	0	43	-2.0	-93.20	384.75	-1.05	-94.25
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300024705930	0	40	-2.0	-115.45	381.85	0.46	-114.99
CN1N=C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024705954	0	39	-2.0	-96.10	357.59	-3.50	-99.60
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300024706042	0	38	-2.0	-92.84	354.61	-2.10	-94.94
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024706137	0	37	-2.0	-90.87	341.04	-3.76	-94.63
C[PH](C)([O-])C(=O)C(=O)N1CC[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024706142	0	42	-2.0	-93.74	374.13	-3.10	-96.84
C[PH](C)([O-])C(=O)C(=O)N1CC[C@H](NC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024706142	1	42	-2.0	-93.74	374.13	-3.10	-96.84
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300024706172	0	40	-2.0	-112.93	370.52	0.03	-112.90
CC1=C([O-])N=C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024706200	1	39	-2.0	-93.80	367.96	-3.16	-96.96
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C[PH](C)([O-])C(=O)C(=O)N[C@H]1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024709295	0	42	-2.0	-91.16	381.92	-3.02	-94.18
C[PH](C)([O-])C(=O)C(=O)N[C@H]1CCN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024709295	1	42	-2.0	-91.16	381.92	-3.02	-94.18
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CC1=CC=NC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300024709638	0	42	-2.0	-103.57	376.74	0.25	-103.32
CC1=CC=NC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024709638	1	42	-2.0	-103.57	376.74	0.25	-103.32
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O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300024709893	1	40	-2.0	-91.66	372.86	0.20	-91.46
O=C(CC1=NC([O-])=CS1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709904	0	39	-2.0	-111.38	369.83	-3.94	-115.32
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=C(O)C=CC=C2F)C1	REAL300024709919	0	40	-2.0	-95.94	371.02	-0.37	-96.31
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=C([O-])C=CC=C2F)C1	REAL300024709919	1	40	-2.0	-95.94	371.02	-0.37	-96.31
O=C(CN1[N-]C(=O)C=CC1=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024709921	0	42	-2.0	-96.03	385.10	-3.28	-99.31
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300024710038	0	40	-2.0	-95.38	370.95	-0.18	-95.56
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300024710044	0	40	-2.0	-104.81	375.14	1.80	-103.01
CC1=CC(=O)C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024710072	0	41	-2.0	-93.72	373.12	-0.08	-93.80
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024710097	0	40	-2.0	-121.88	363.44	1.19	-120.69
N#CC1=CC=C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024710121	0	40	-2.0	-81.95	373.32	-1.83	-83.78
CN1N=C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024710165	0	39	-2.0	-94.77	360.64	-3.65	-98.42
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300024710212	1	41	-2.0	-101.59	381.83	-2.32	-103.91
N#CC1=CC=C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024710213	0	41	-2.0	-99.47	378.99	1.67	-97.80
N#CC1=CC=C([O-])C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024710221	0	41	-2.0	-98.07	380.01	1.67	-96.40
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300024710303	0	40	-2.0	-88.72	368.80	-2.15	-90.87
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O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300024710372	1	40	-2.0	-101.48	374.93	1.79	-99.69
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024710437	0	38	-2.0	-85.34	358.06	-6.15	-91.49
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NC1=NC=C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N1	REAL300024710491	0	40	-2.0	-86.73	362.74	-2.98	-89.71
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CC1SC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024710649	0	39	-2.0	-94.18	370.09	-3.74	-97.92
CC1=C([O-])N=C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024710649	1	39	-2.0	-94.18	370.09	-3.74	-97.92
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C(=O)C2=CC=C(O)C=C2)C1	REAL300024710740	0	42	-2.0	-92.06	381.55	-0.47	-92.53
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O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024710797	0	40	-2.0	-88.56	367.47	-4.70	-93.26
CCN1[N-]C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024710853	0	43	-2.0	-92.72	388.91	-1.23	-93.95
CN1[N-]C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024710871	0	40	-2.0	-91.37	366.21	-2.16	-93.53
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CC1=CN=C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024711105	1	42	-2.0	-105.25	377.86	0.19	-105.06
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O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024711141	0	40	-2.0	-108.19	367.00	0.19	-108.00
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O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024726434	0	40	-2.0	-105.37	364.22	0.08	-105.29
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300024726463	0	40	-2.0	-91.31	380.46	-1.43	-92.74
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300024726463	1	40	-2.0	-91.31	380.46	-1.43	-92.74
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC(F)=CC=C2O)C1	REAL300024726598	0	40	-2.0	-97.40	368.58	0.30	-97.10
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC(F)=CC=C2[O-])C1	REAL300024726598	1	40	-2.0	-97.40	368.58	0.30	-97.10
CC1=CC=NC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300024726661	0	42	-2.0	-100.29	379.74	-0.77	-101.06
CC1=CC=NC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024726661	1	42	-2.0	-100.29	379.74	-0.77	-101.06
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC=CC(=S)N2[O-])C1	REAL300024726775	0	40	-2.0	-114.41	375.49	1.94	-112.47
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300024726879	0	39	-2.0	-89.33	372.37	-2.04	-91.37
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC=C(O)C=C2Cl)C1	REAL300024726916	0	40	-2.0	-90.69	376.80	-0.83	-91.52
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300024726916	1	40	-2.0	-90.69	376.80	-0.83	-91.52
O=C(CC1=NC([O-])=CS1)N[C@H]1C[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024726927	0	39	-2.0	-105.32	370.79	-4.25	-109.57
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=C(O)C=CC=C2F)C1	REAL300024726942	0	40	-2.0	-93.10	370.99	-0.66	-93.76
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=C([O-])C=CC=C2F)C1	REAL300024726942	1	40	-2.0	-93.10	370.99	-0.66	-93.76
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300024726944	0	42	-2.0	-95.61	389.11	-4.31	-99.92
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300024727061	0	40	-2.0	-94.66	374.92	-1.21	-95.87
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300024727067	0	40	-2.0	-95.85	375.17	1.54	-94.31
CC1=CC(=O)C(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024727095	0	41	-2.0	-91.51	372.98	-0.36	-91.87
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024727120	0	40	-2.0	-116.81	362.09	0.74	-116.07
N#CC1=CC=C(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024727144	0	40	-2.0	-80.04	377.38	-2.87	-82.91
CN1N=C(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024727188	0	39	-2.0	-93.69	364.57	-4.68	-98.37
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300024727235	0	41	-2.0	-94.91	379.47	-2.77	-97.68
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300024727235	1	41	-2.0	-94.91	379.47	-2.77	-97.68
N#CC1=CC=C([O-])C(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024727244	0	41	-2.0	-92.71	379.93	1.41	-91.30
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300024727326	0	40	-2.0	-90.01	367.21	-2.61	-92.62
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC=C(F)C(O)=C2)C1	REAL300024727377	0	40	-2.0	-100.49	367.50	-0.59	-101.08
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300024727377	1	40	-2.0	-100.49	367.50	-0.59	-101.08
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C(F)(F)C(F)(F)F)C1	REAL300024727387	0	35	-2.0	-80.84	349.09	-2.54	-83.38
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H]([N-]C(=O)C(F)(F)C(F)(F)F)C1	REAL300024727387	1	35	-2.0	-80.84	349.09	-2.54	-83.38
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC=C(Cl)C=C2O)C1	REAL300024727395	0	40	-2.0	-95.39	375.82	1.49	-93.90
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300024727395	1	40	-2.0	-95.39	375.82	1.49	-93.90
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024727460	0	38	-2.0	-89.15	360.46	-7.93	-97.08
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024727460	1	38	-2.0	-88.37	355.76	-6.61	-94.98
NC1=NC=C(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024727514	1	40	-2.0	-90.27	362.59	-3.30	-93.57
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300024727547	0	40	-2.0	-104.40	374.91	-1.23	-105.63
COC1=NC(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC(=O)[N-]1	REAL300024727589	0	42	-2.0	-91.37	385.01	-6.14	-97.51
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300024727598	0	39	-2.0	-96.66	375.61	-0.95	-97.61
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300024727636	0	40	-2.0	-96.28	377.29	-0.11	-96.39
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC=NC=C2[O-])C1	REAL300024727644	1	39	-2.0	-100.81	357.44	-1.57	-102.38
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024727650	0	36	-2.0	-91.22	342.09	-4.40	-95.62
CC1=C([O-])N=C(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024727672	1	39	-2.0	-102.24	371.05	-4.04	-106.28
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300024727763	1	42	-2.0	-90.22	384.66	-1.50	-91.72
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CN=C(C=N[O-])S2)C1	REAL300024727780	0	39	-2.0	-103.86	377.38	-2.75	-106.61
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300024727800	1	39	-2.0	-83.87	377.48	-1.60	-85.47
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024727820	0	40	-2.0	-86.60	370.43	-5.72	-92.32
CCN1[N-]C(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024727876	0	43	-2.0	-90.51	391.88	-2.25	-92.76
CN1[N-]C(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024727894	0	40	-2.0	-89.71	370.15	-3.18	-92.89
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300024728030	1	40	-2.0	-91.68	370.53	-1.27	-92.95
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300024728073	0	40	-2.0	-92.69	376.71	-1.20	-93.89
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300024728078	0	39	-2.0	-93.93	370.56	-0.39	-94.32
CC1=C(CC(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N(C)[N-]1	REAL300024728093	0	46	-2.0	-96.96	407.83	-1.13	-98.09
CC1=CN=C(C(=O)N[C@H]2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024728128	1	42	-2.0	-101.83	380.83	-0.83	-102.66
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC([O-])=CS2)C1	REAL300024728148	0	37	-2.0	-97.14	356.56	-2.44	-99.58
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024728164	0	40	-2.0	-104.30	366.91	-0.09	-104.39
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024728326	0	38	-2.0	-89.15	360.46	-7.93	-97.08
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024728326	1	38	-2.0	-88.37	355.76	-6.61	-94.98
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300024728464	0	42	-2.0	-95.61	389.11	-4.31	-99.92
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024728471	0	36	-2.0	-91.22	342.09	-4.40	-95.62
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](NC(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300024728482	0	40	-2.0	-90.01	367.21	-2.61	-92.62
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CNC(=O)C2=COC(=O)[N-]2)C1	REAL300024729221	1	42	-2.0	-94.48	372.92	-3.41	-97.89
CN1N=C(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024729305	0	45	-2.0	-95.72	395.06	-2.21	-97.93
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CNC(=O)C2=C[N-]N=CC2=O)C1	REAL300024729333	0	44	-2.0	-86.94	381.98	-0.26	-87.20
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300024729367	0	43	-2.0	-90.45	377.74	-2.42	-92.87
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300024729528	0	42	-2.0	-93.37	372.34	-3.72	-97.09
CN1[N-]C(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024729611	0	46	-2.0	-92.72	400.55	-0.71	-93.43
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300024729859	1	45	-2.0	-98.21	386.81	1.43	-96.78
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024730322	1	42	-2.0	-85.57	369.81	-2.16	-87.73
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300024730389	0	44	-2.0	-82.84	382.34	-0.79	-83.63
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024730446	0	43	-2.0	-87.86	374.50	-2.25	-90.11
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024730478	0	42	-2.0	-86.19	369.43	-2.86	-89.05
CN1N=C(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024730681	0	45	-2.0	-95.32	392.10	-2.05	-97.37
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300024730799	0	45	-2.0	-101.21	389.83	-0.91	-102.12
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024730801	0	42	-2.0	-92.08	369.27	-2.28	-94.36
CN1[N-]C(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024730881	0	46	-2.0	-90.63	397.24	-0.54	-91.17
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C2=CC([O-])=CS2)C1	REAL300024730965	0	43	-2.0	-98.54	384.93	-0.35	-98.89
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300024731084	0	42	-2.0	-94.99	372.50	-1.94	-96.93
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024731788	1	42	-2.0	-85.57	369.81	-2.16	-87.73
CN1N=C(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024731872	0	45	-2.0	-95.32	392.10	-2.05	-97.37
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300024731900	0	44	-2.0	-82.84	382.34	-0.79	-83.63
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024731934	0	43	-2.0	-87.86	374.50	-2.25	-90.11
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024732095	0	42	-2.0	-86.19	369.43	-2.86	-89.05
CN1[N-]C(C(=O)N2CCCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024732178	0	46	-2.0	-90.63	397.24	-0.54	-91.17
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CNC(=O)C2=NC=CC=C2[O-])C1	REAL300024732426	1	45	-2.0	-100.21	389.78	1.04	-99.17
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CNC(=O)C2=COC(=O)[N-]2)C1	REAL300024732889	1	42	-2.0	-94.48	372.92	-3.41	-97.89
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CNC(=O)C2=C[N-]N=CC2=O)C1	REAL300024732956	0	44	-2.0	-86.94	381.98	-0.26	-87.20
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300024733013	0	43	-2.0	-90.45	377.74	-2.42	-92.87
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300024733045	0	42	-2.0	-93.37	372.34	-3.72	-97.09
CN1N=C(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024733248	0	45	-2.0	-95.72	395.06	-2.21	-97.93
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CNC(=O)C2=CC=NC=C2[O-])C1	REAL300024733366	1	45	-2.0	-97.35	387.84	0.93	-96.42
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CN1[N-]C(C(=O)NCC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024733448	0	46	-2.0	-92.72	400.55	-0.71	-93.43
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CN1N=C(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024734439	0	45	-2.0	-100.33	387.86	-2.27	-102.60
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CN1[N-]C(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024734745	0	46	-2.0	-96.46	394.04	-0.75	-97.21
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O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN1C(=O)C1=NC(=O)N[N-]1	REAL300024735510	0	42	-2.0	-91.25	361.19	-1.97	-93.22
CN1N=C(C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024735681	0	45	-2.0	-102.61	383.97	-1.16	-103.77
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN1C(=O)C1=CC=NC=C1[O-]	REAL300024735780	0	45	-2.0	-107.56	381.65	0.16	-107.40
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300024735782	0	42	-2.0	-100.73	361.17	-1.44	-102.17
CN1[N-]C(C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024735853	0	46	-2.0	-98.96	388.96	0.30	-98.66
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN1C(=O)C1=CC([O-])=CS1	REAL300024735919	0	43	-2.0	-109.40	375.88	0.24	-109.16
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300024736035	0	42	-2.0	-95.17	365.97	-1.97	-97.14
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN1C(=O)C1=COC(=O)[N-]1	REAL300024736739	1	42	-2.0	-89.37	361.53	-1.27	-90.64
CN1N=C(C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024736823	0	45	-2.0	-102.61	383.97	-1.16	-103.77
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN1C(=O)C1=C[N-]N=CC1=O	REAL300024736851	0	44	-2.0	-85.95	375.17	0.05	-85.90
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN1C(=O)C1=CC(=O)N[N-]1	REAL300024736885	0	43	-2.0	-95.93	366.23	-1.40	-97.33
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN1C(=O)C1=NC(=O)N[N-]1	REAL300024737046	0	42	-2.0	-91.25	361.19	-1.97	-93.22
CN1[N-]C(C(=O)N2CCCCC2CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024737129	0	46	-2.0	-98.96	388.96	0.30	-98.66
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CNC(=O)C1=NC=CC=C1[O-]	REAL300024737377	1	45	-2.0	-112.70	382.58	0.98	-111.72
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CNC(=O)C1=COC(=O)[N-]1	REAL300024737840	1	42	-2.0	-90.58	366.35	-3.45	-94.03
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CNC(=O)C1=C[N-]N=CC1=O	REAL300024737907	0	44	-2.0	-86.51	375.40	-0.30	-86.81
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CNC(=O)C1=CC(=O)N[N-]1	REAL300024737964	0	43	-2.0	-93.31	370.53	-2.47	-95.78
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CNC(=O)C1=NC(=O)N[N-]1	REAL300024737996	0	42	-2.0	-91.16	365.13	-3.77	-94.93
CN1N=C(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024738199	0	45	-2.0	-100.33	387.86	-2.27	-102.60
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CNC(=O)C1=CC=NC=C1[O-]	REAL300024738317	1	45	-2.0	-112.02	381.33	0.88	-111.14
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300024738319	0	42	-2.0	-95.17	365.97	-1.97	-97.14
CN1[N-]C(C(=O)NCC2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024738399	0	46	-2.0	-96.46	394.04	-0.75	-97.21
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CNC(=O)C1=CC([O-])=CS1	REAL300024738483	0	43	-2.0	-103.30	380.46	0.00	-103.30
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300024738602	0	42	-2.0	-100.73	361.17	-1.44	-102.17
CC(NC(=O)C1=COC(=O)[N-]1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739047	1	45	-2.0	-95.73	384.84	-2.89	-98.62
CC(NC(=O)C1=CC(=O)N[N-]1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739125	0	46	-2.0	-91.62	389.67	-1.90	-93.52
CC(NC(=O)C1=NC(=O)N[N-]1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739193	0	45	-2.0	-94.59	389.78	-2.96	-97.55
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024739549	1	45	-2.0	-85.28	381.49	-1.65	-86.93
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024739601	0	46	-2.0	-89.09	391.96	-1.50	-90.59
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024739611	0	45	-2.0	-86.21	381.33	-2.37	-88.58
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024739756	0	45	-2.0	-92.35	381.50	-1.68	-94.03
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024739895	0	45	-2.0	-96.43	389.93	-1.17	-97.60
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=NNC(=O)[N-]C1=O	REAL300024740647	0	39	-2.0	-89.50	365.52	-5.23	-94.73
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024740697	0	41	-2.0	-91.69	379.68	-3.56	-95.25
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CN([O-])C(=O)C=C1	REAL300024741063	0	41	-2.0	-102.46	376.63	0.92	-101.54
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)NC([O-])=C1	REAL300024741138	0	41	-2.0	-84.27	377.10	-3.98	-88.25
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=COC(=O)[N-]1	REAL300024741149	1	37	-2.0	-84.72	349.16	-4.15	-88.87
CCN1[N-]C(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)=CC1=O	REAL300024741258	0	44	-2.0	-87.73	398.78	-0.48	-88.21
CN1N=C(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)[N-]C1=O	REAL300024741286	0	40	-2.0	-90.85	371.25	-2.95	-93.80
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=C[N-]N=CC1=O	REAL300024741340	0	39	-2.0	-77.27	358.22	-0.99	-78.26
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)N[N-]1	REAL300024741403	0	38	-2.0	-84.41	354.30	-3.11	-87.52
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NC(=O)NN3)C[C@H]21	REAL300024741408	0	43	-2.0	-89.86	387.14	-2.30	-92.16
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)CSC3=NC(=O)[N-]N3)C[C@H]21	REAL300024741408	1	43	-2.0	-89.86	387.14	-2.30	-92.16
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC=CN([O-])C1=O	REAL300024741430	0	41	-2.0	-96.32	374.26	1.08	-95.24
CC1SC(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)=NC1=O	REAL300024741450	0	40	-2.0	-91.12	381.01	-3.00	-94.12
CC1=C([O-])N=C(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)S1	REAL300024741450	1	40	-2.0	-91.12	381.01	-3.00	-94.12
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC(=O)N([O-])C=C1	REAL300024741466	0	41	-2.0	-102.98	377.01	0.91	-102.07
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CC=CC(=O)N1[O-]	REAL300024741490	0	41	-2.0	-116.97	374.15	1.92	-115.05
O=C(CC1=NC([O-])=CS1)N[C@@H]1[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]21	REAL300024741599	0	40	-2.0	-105.59	380.48	-3.24	-108.83
CC1=CC(=O)C(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)=N[N-]1	REAL300024741747	0	42	-2.0	-87.92	382.65	0.63	-87.29
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CN1[N-]C(C(=O)N[C@@H]2[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@H]32)=CC1=O	REAL300024741930	0	41	-2.0	-87.04	376.81	-1.44	-88.48
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C3=NC=CC=C3[O-])C[C@H]21	REAL300024742180	1	40	-2.0	-99.77	362.51	0.73	-99.04
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O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C3=COC(=O)[N-]3)C[C@H]21	REAL300024743207	1	37	-2.0	-87.48	345.89	-3.06	-90.54
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C3=CC=C([O-])C=C3F)C[C@H]21	REAL300024743274	1	41	-2.0	-89.69	374.49	0.02	-89.67
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C3=CC([O-])=CC(=O)O3)C[C@H]21	REAL300024743277	0	40	-2.0	-87.67	370.92	-0.56	-88.23
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)CCC3=NC(=O)[N-]N3)C[C@H]21	REAL300024743328	1	43	-2.0	-96.76	390.16	-3.48	-100.24
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C3=C[N-]N=CC3=O)C[C@H]21	REAL300024743337	0	39	-2.0	-87.26	363.86	-1.45	-88.71
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C3=CC=CC(F)=C3[O-])C[C@H]21	REAL300024743344	0	41	-2.0	-102.72	374.09	1.36	-101.36
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C3=CC=CC([O-])=C3F)C[C@H]21	REAL300024743402	1	41	-2.0	-99.83	374.34	0.03	-99.80
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)N[N-]3)C[C@H]21	REAL300024743472	0	38	-2.0	-86.72	350.54	-2.98	-89.70
C[PH](C)([O-])C(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NC(=O)NN1	REAL300024743477	0	43	-2.0	-90.95	384.13	-2.33	-93.28
C[PH](C)([O-])C(=O)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSC1=NC(=O)[N-]N1	REAL300024743477	1	43	-2.0	-90.95	384.13	-2.33	-93.28
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C3=CC(=O)N([O-])C=C3)C[C@H]21	REAL300024743525	0	41	-2.0	-100.88	381.89	0.78	-100.10
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C3=NNC(=O)[N-]3)C[C@H]21	REAL300024743541	0	37	-2.0	-90.15	345.25	-4.44	-94.59
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C3=CC=CN([O-])C3=O)C[C@H]21	REAL300024743546	0	41	-2.0	-105.55	375.37	0.51	-105.04
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C3=CC(F)=CC=C3O)C[C@H]21	REAL300024743648	0	41	-2.0	-94.66	374.78	1.26	-93.40
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)C3=CC(F)=CC=C3[O-])C[C@H]21	REAL300024743648	1	41	-2.0	-94.66	374.78	1.26	-93.40
CC1=CC=NC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300024743690	0	43	-2.0	-99.30	383.13	1.43	-97.87
CC1=CC=NC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300024743690	1	43	-2.0	-99.30	383.13	1.43	-97.87
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CN(C(=O)CC3=NC([O-])=CS3)C[C@H]21	REAL300024743831	0	40	-2.0	-104.69	380.54	-3.27	-107.96
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CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(F)=CC=C1[O-]	REAL300024755397	1	39	-2.0	-93.72	362.02	0.00	-93.72
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CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(=S)N1[O-]	REAL300024755656	0	39	-2.0	-118.21	371.98	0.89	-117.32
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C(Cl)=N1	REAL300024755806	0	38	-2.0	-85.26	371.15	-2.92	-88.18
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CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=NC([O-])=CS1	REAL300024755880	0	38	-2.0	-106.67	367.30	-5.30	-111.97
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C([O-])C=CC=C1F	REAL300024755901	1	39	-2.0	-93.90	367.51	-1.72	-95.62
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300024755904	0	41	-2.0	-93.49	382.57	-4.62	-98.11
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CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1SC(=O)[N-]C1=O	REAL300024756038	0	39	-2.0	-85.98	374.57	-6.06	-92.04
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C(F)=C1F	REAL300024756068	0	39	-2.0	-93.14	368.37	-1.51	-94.65
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300024756071	1	40	-2.0	-78.34	377.28	-2.88	-81.22
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(Cl)=C1[O-]	REAL300024756077	0	39	-2.0	-96.44	371.63	0.47	-95.97
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CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300024756118	0	44	-2.0	-99.53	399.28	-1.56	-101.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(=O)N1[O-]	REAL300024756148	0	39	-2.0	-114.94	360.86	-0.15	-115.09
CSC1=NC=C(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300024757174	1	41	-2.0	-86.92	387.14	-3.17	-90.09
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)NC([O-])=C1	REAL300024757181	0	39	-2.0	-87.09	363.89	-6.03	-93.12
CCN1[N-]C(C(=O)NC(C)CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024757255	0	42	-2.0	-89.71	385.33	-2.56	-92.27
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300024757277	0	39	-2.0	-89.12	363.60	-3.49	-92.61
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024757292	0	39	-2.0	-91.75	377.77	-5.38	-97.13
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CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NC(Cl)=C1[O-]	REAL300024757533	0	38	-2.0	-94.59	367.07	-1.42	-96.01
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CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([O-])=CS1	REAL300024757629	0	36	-2.0	-95.84	350.01	-2.74	-98.58
CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN([O-])C(=O)C=C1	REAL300024757650	0	39	-2.0	-103.52	363.42	-1.13	-104.65
CC1=C(C(=O)NCC(C)NC(=O)CSC2=NNC(=O)[N-]2)C(=S)[N-]C(=O)N1	REAL300024757679	1	41	-2.0	-101.75	391.20	-4.10	-105.85
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CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024758102	0	35	-2.0	-93.08	335.53	-4.74	-97.82
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CC(CNC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024758153	1	40	-2.0	-80.93	377.31	-2.89	-83.82
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CCN1[N-]C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024760322	0	43	-2.0	-94.53	385.52	-1.12	-95.65
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C[PH](C)([O-])C(=O)C(=O)N1CCC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024760556	0	42	-2.0	-94.85	379.01	-3.05	-97.90
C[PH](C)([O-])C(=O)C(=O)N1CCC(NC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024760556	1	42	-2.0	-94.85	379.01	-3.05	-97.90
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COC1=NC(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC(=O)[N-]1	REAL300024761207	0	42	-2.0	-96.02	379.88	-5.26	-101.28
CN1[N-]C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024761350	0	40	-2.0	-93.56	363.71	-2.05	-95.61
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NC1=NC([O-])=C(CC(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024763379	0	41	-2.0	-107.63	385.69	-4.82	-112.45
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C[PH](C)([O-])C(=O)C(=O)NC1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024763709	0	42	-2.0	-91.39	381.95	-3.04	-94.43
C[PH](C)([O-])C(=O)C(=O)NC1CCN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024763709	1	42	-2.0	-91.39	381.95	-3.04	-94.43
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O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC(F)=CC=C2[O-])C1	REAL300024763989	1	40	-2.0	-100.80	365.59	1.31	-99.49
CC1=CC=NC(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300024764052	0	42	-2.0	-103.58	376.79	0.25	-103.33
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CCN1[N-]C(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024767215	0	46	-2.0	-92.91	406.90	-0.56	-93.47
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C[PH](C)([O-])C(=O)C(=O)N1CCC(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024767356	0	45	-2.0	-95.44	395.50	-2.54	-97.98
C[PH](C)([O-])C(=O)C(=O)N1CCC(CNC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024767356	1	45	-2.0	-95.44	395.50	-2.54	-97.98
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C[PH](C)([O-])C(=O)C(=O)NCC1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024769307	0	45	-2.0	-91.15	403.97	-2.41	-93.56
C[PH](C)([O-])C(=O)C(=O)NCC1CCN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024769307	1	45	-2.0	-91.15	403.97	-2.41	-93.56
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O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=C([O-])C=CC=C2F)C1	REAL300024769650	1	43	-2.0	-94.93	392.28	0.22	-94.71
CC1=CC(=O)C(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024769735	0	44	-2.0	-92.01	394.28	0.53	-91.48
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CC(CCNC(=O)C1=CC=CC(=O)N1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024778213	0	42	-2.0	-127.50	382.31	0.53	-126.97
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CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC=CC=C1[O-]	REAL300024779109	1	41	-2.0	-104.35	374.28	-1.11	-105.46
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CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300024781365	0	42	-2.0	-92.99	395.19	-0.43	-93.42
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(F)=CC=C1[O-]	REAL300024781370	1	42	-2.0	-100.84	383.46	0.66	-100.18
CC1=CC=NC(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300024781432	1	44	-2.0	-104.25	394.60	-0.42	-104.67
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(=S)N1[O-]	REAL300024781535	0	42	-2.0	-125.91	393.42	1.57	-124.34
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C=C1Cl	REAL300024781668	1	42	-2.0	-94.89	391.70	-0.47	-95.36
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=NC([O-])=CS1	REAL300024781679	0	41	-2.0	-112.73	388.74	-4.63	-117.36
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C([O-])C=CC=C1F	REAL300024781694	1	42	-2.0	-104.70	388.95	-1.06	-105.76
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300024781695	0	44	-2.0	-99.70	404.02	-3.96	-103.66
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(F)C=C1[O-]	REAL300024781696	0	42	-2.0	-103.91	383.45	0.67	-103.24
CC1=CC=C(F)C([O-])=C1C(=O)NC(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024781726	0	45	-2.0	-111.62	408.40	-0.51	-112.13
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(Cl)=C1[O-]	REAL300024781811	0	42	-2.0	-104.04	393.08	1.13	-102.91
CC1=CC(=O)C(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024781839	0	43	-2.0	-96.12	390.95	-0.76	-96.88
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(=O)N1[O-]	REAL300024781861	0	42	-2.0	-122.90	382.31	0.53	-122.37
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C#N)[N-]C1=O	REAL300024781884	0	42	-2.0	-86.45	392.21	-2.52	-88.97
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NN(C)C(=O)[N-]1	REAL300024781925	0	41	-2.0	-98.86	379.48	-4.34	-103.20
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(F)C=CC(O)=C1O	REAL300024781970	0	43	-2.0	-98.87	399.69	-2.99	-101.86
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300024781970	1	43	-2.0	-98.87	399.69	-2.99	-101.86
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(C#N)=CC=C1[O-]	REAL300024781979	0	43	-2.0	-98.11	397.88	1.02	-97.09
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300024782059	0	42	-2.0	-91.82	387.64	-2.84	-94.66
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(F)C(O)=C1	REAL300024782107	0	42	-2.0	-97.07	385.44	-0.96	-98.03
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(F)C([O-])=C1	REAL300024782107	1	42	-2.0	-97.07	385.44	-0.96	-98.03
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(F)(F)C(F)(F)F	REAL300024782117	0	37	-2.0	-82.05	360.13	-2.23	-84.28
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)[N-]C(=O)C(F)(F)C(F)(F)F	REAL300024782117	1	37	-2.0	-82.05	360.13	-2.23	-84.28
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(Cl)C=C1O	REAL300024782125	0	42	-2.0	-103.65	393.78	1.12	-102.53
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(Cl)C=C1[O-]	REAL300024782125	1	42	-2.0	-103.65	393.78	1.12	-102.53
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024782188	0	40	-2.0	-89.52	376.00	-6.84	-96.36
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024782188	1	40	-2.0	-89.52	376.00	-6.84	-96.36
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C(N)NC1=O	REAL300024782241	0	42	-2.0	-91.93	380.60	-3.67	-95.60
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C(N)[N-]C1=O	REAL300024782241	1	42	-2.0	-91.93	380.60	-3.67	-95.60
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NC=C1O	REAL300024782362	0	41	-2.0	-103.83	372.34	-1.21	-105.04
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NC=C1[O-]	REAL300024782362	1	41	-2.0	-103.83	372.34	-1.21	-105.04
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300024782368	0	38	-2.0	-96.78	356.97	-4.06	-100.84
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)C(C)S1	REAL300024782389	0	41	-2.0	-99.57	388.77	-4.43	-104.00
CC1=C([O-])N=C(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024782389	1	41	-2.0	-99.57	388.77	-4.43	-104.00
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(=O)C1=CC=C(O)C=C1	REAL300024782476	0	44	-2.0	-94.06	399.54	-1.15	-95.21
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(=O)C1=CC=C([O-])C=C1	REAL300024782476	1	44	-2.0	-94.06	399.54	-1.15	-95.21
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C(C=N[O-])S1	REAL300024782493	0	41	-2.0	-103.92	397.61	-2.95	-106.87
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)NC([O-])=C1	REAL300024782528	0	42	-2.0	-91.54	385.33	-5.37	-96.91
CCN1[N-]C(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024782582	0	45	-2.0	-95.83	406.78	-1.89	-97.72
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300024782599	0	42	-2.0	-95.02	385.05	-2.82	-97.84
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(O)C(F)=C1	REAL300024782728	0	42	-2.0	-96.57	385.40	-0.92	-97.49
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300024782728	1	42	-2.0	-96.57	385.40	-0.92	-97.49
CC1=CN=C(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1	REAL300024782822	0	44	-2.0	-105.86	395.73	-0.48	-106.34
CC1=CN=C(C(=O)NC(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300024782822	1	44	-2.0	-105.86	395.73	-0.48	-106.34
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([O-])=CS1	REAL300024782840	0	39	-2.0	-101.40	371.46	-2.07	-103.47
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN([O-])C(=O)C=C1	REAL300024782855	0	42	-2.0	-108.54	384.87	-0.46	-109.00
CC(CCNC(=O)C1=NC(=O)[N-]C(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783010	0	40	-2.0	-90.57	375.36	-7.61	-98.18
CC(CCNC(=O)C1=NC(=O)NC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783010	1	40	-2.0	-86.33	376.00	-6.85	-93.18
CC(CCNC(=O)CN1[N-]C(=O)C=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783143	0	44	-2.0	-100.57	404.02	-3.97	-104.54
CC(CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783150	0	38	-2.0	-93.72	356.97	-4.07	-97.79
CC(CCNC(=O)C1=CN([O-])C(=O)NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024783161	0	42	-2.0	-89.97	387.71	-2.83	-92.80
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CCCNC(=O)C1=COC(=O)[N-]1	REAL300024783522	1	45	-2.0	-89.12	399.41	-2.71	-91.83
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CCCNC(=O)C1=CC(=O)N[N-]1	REAL300024783600	0	46	-2.0	-90.46	404.24	-1.73	-92.19
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CCCNC(=O)C1=NC(=O)N[N-]1	REAL300024783668	0	45	-2.0	-89.32	398.83	-3.01	-92.33
O=C(CSC1=NNC(=O)[N-]1)NCCCC1CCCN1C(=O)C1=COC(=O)[N-]1	REAL300024783988	1	45	-2.0	-90.34	395.10	-1.64	-91.98
O=C(CSC1=NNC(=O)[N-]1)NCCCC1CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300024784038	0	46	-2.0	-92.27	399.97	-1.54	-93.81
O=C(CSC1=NNC(=O)[N-]1)NCCCC1CCCN1C(=O)C1=NC(=O)N[N-]1	REAL300024784046	0	45	-2.0	-90.97	394.74	-2.27	-93.24
O=C(CSC1=NNC(=O)[N-]1)NCCCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300024784163	0	45	-2.0	-95.51	394.96	-1.40	-96.91
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300024784286	0	45	-2.0	-93.70	398.98	-1.24	-94.94
CN(CCNC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024784745	1	44	-2.0	-89.70	395.02	-1.05	-90.75
CN(CCNC(=O)CCC1=NNC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785538	0	43	-2.0	-94.49	394.96	-6.08	-100.57
CC(=O)[N-]C1=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024785539	1	41	-2.0	-85.93	388.92	-2.60	-88.53
CN(CCNC(=O)CCN1C=C[N-]C(=O)C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785676	1	44	-2.0	-97.30	400.71	-1.95	-99.25
COC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)NC(=O)[N-]C1=O	REAL300024785777	1	42	-2.0	-93.60	384.12	-4.92	-98.52
CN(CCNC(=O)C1=NNC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785880	0	37	-2.0	-95.01	350.36	-6.23	-101.24
CN(CCNC(=O)CN1C(=O)[N-]NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024785990	0	39	-2.0	-98.59	364.48	-4.57	-103.16
CN(CCNC(=O)C1=CN([O-])C(=O)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786801	0	39	-2.0	-106.94	361.71	-0.09	-107.03
CN(CCNC(=O)C1=CC(=O)NC([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786955	0	39	-2.0	-88.58	361.90	-4.99	-93.57
CN(CCNC(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024786967	1	35	-2.0	-88.80	333.97	-5.15	-93.95
CN(CC[N-]C(=O)C(F)(F)C(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024787084	1	34	-2.0	-86.09	340.35	-1.80	-87.89
CC1=CC(=O)C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024788216	0	40	-2.0	-94.69	367.52	-0.37	-95.06
CN(CCNC(=O)C1=NNC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788234	0	35	-2.0	-93.00	333.56	-5.61	-98.61
CN(CCNC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788258	1	40	-2.0	-88.68	375.99	-1.14	-89.82
CN(CCNC(=O)C1=CN=C(C=N[O-])S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788388	0	38	-2.0	-100.97	374.45	-2.56	-103.53
COC1=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300024788408	0	41	-2.0	-93.86	379.79	-6.13	-99.99
CN(CCNC(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024788615	0	39	-2.0	-92.41	361.62	-2.46	-94.87
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC=C1[O-]	REAL300024788871	1	38	-2.0	-103.98	348.15	-0.15	-104.13
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300024788983	1	44	-2.0	-97.02	400.43	-1.99	-99.01
CC(=O)[N-]C1=NC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024788994	1	41	-2.0	-85.13	386.31	-2.00	-87.13
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300024789022	0	37	-2.0	-96.66	348.20	-6.02	-102.68
COC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)NC(=O)[N-]C1=O	REAL300024789071	1	42	-2.0	-92.31	390.61	-6.40	-98.71
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C(=O)[N-]NC1=O	REAL300024789233	0	39	-2.0	-98.62	364.75	-4.62	-103.24
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300024790348	1	44	-2.0	-102.27	401.82	-1.51	-103.78
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300024791140	0	43	-2.0	-94.33	394.69	-6.14	-100.47
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300024791150	0	41	-2.0	-96.97	378.13	0.75	-96.22
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300024791164	1	39	-2.0	-98.14	370.81	0.27	-97.87
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300024791194	1	40	-2.0	-86.43	373.03	-0.71	-87.14
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300024791276	0	41	-2.0	-113.21	380.55	1.34	-111.87
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300024791330	1	35	-2.0	-87.91	331.23	-3.82	-91.73
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC([O-])=C1[N+](=O)[O-]	REAL300024791403	0	41	-2.0	-110.68	384.69	-0.10	-110.78
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N-]C(=O)C(F)(F)F	REAL300024791419	0	38	-2.0	-89.82	369.19	-4.34	-94.16
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=C([O-])N=C(N)S1	REAL300024791420	0	40	-2.0	-106.87	380.39	-5.13	-112.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(F)C=C([O-])C=C1F	REAL300024791431	0	39	-2.0	-88.37	372.55	-0.73	-89.10
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([O-])C=C1F	REAL300024791452	1	39	-2.0	-95.56	356.91	-0.97	-96.53
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC([O-])=CC(=O)O1	REAL300024791460	0	38	-2.0	-90.42	356.95	-1.54	-91.96
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300024791470	1	40	-2.0	-88.42	374.20	-0.59	-89.01
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300024791474	0	38	-2.0	-98.61	366.44	-1.77	-100.38
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1	REAL300024791481	0	41	-2.0	-90.85	388.21	-3.75	-94.60
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300024791498	0	40	-2.0	-104.10	374.80	-5.76	-109.86
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1=NNC(=O)[N-]1	REAL300024791582	0	41	-2.0	-93.90	374.81	-3.99	-97.89
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]N=CC1=O	REAL300024791604	0	37	-2.0	-87.80	349.77	-2.42	-90.22
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(F)=C1[O-]	REAL300024791616	0	39	-2.0	-106.03	360.29	-0.17	-106.20
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC([O-])=C1F	REAL300024791732	1	39	-2.0	-103.18	360.53	-0.96	-104.14
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300024791808	0	41	-2.0	-90.18	379.97	0.76	-89.42
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300024791874	0	36	-2.0	-90.06	336.66	-3.92	-93.98
CN(CCNC(=O)CSC1=NC(=O)NN1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300024791882	0	41	-2.0	-92.77	371.36	-2.79	-95.56
CN(CCNC(=O)CSC1=NC(=O)[N-]N1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300024791882	1	41	-2.0	-92.77	371.36	-2.79	-95.56
COCC1=NC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024791945	0	44	-2.0	-90.51	399.65	-3.90	-94.41
COCC1=NC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300024791945	1	44	-2.0	-90.51	399.65	-3.90	-94.41
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300024792003	0	39	-2.0	-108.71	358.58	-0.52	-109.23
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300024792037	0	35	-2.0	-88.73	331.45	-4.62	-93.35
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(O)C=CC=C1Cl	REAL300024792042	0	39	-2.0	-95.30	375.51	-0.36	-95.66
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C([O-])C=CC=C1Cl	REAL300024792042	1	39	-2.0	-95.30	375.51	-0.36	-95.66
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CN([O-])C1=O	REAL300024792049	0	39	-2.0	-118.90	365.94	-0.32	-119.22
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(F)C=CC(O)=C1F	REAL300024792081	0	39	-2.0	-93.30	372.36	-0.78	-94.08
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(F)C=CC([O-])=C1F	REAL300024792081	1	39	-2.0	-93.30	372.36	-0.78	-94.08
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(N)=CC(=O)[N-]1	REAL300024792194	0	39	-2.0	-99.77	360.07	-4.16	-103.93
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300024792261	0	39	-2.0	-90.77	368.14	-0.49	-91.26
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(F)=CC=C1[O-]	REAL300024792268	1	39	-2.0	-97.68	360.49	-0.18	-97.86
CC1=CC=NC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300024792354	1	41	-2.0	-103.64	368.23	0.53	-103.11
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(=S)N1[O-]	REAL300024792527	0	39	-2.0	-123.87	377.15	0.11	-123.76
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300024792677	0	38	-2.0	-85.51	366.90	-1.35	-86.86
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([O-])C=C1Cl	REAL300024792737	1	39	-2.0	-93.62	365.03	-0.54	-94.16
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300024792739	0	42	-2.0	-100.65	388.33	-1.96	-102.61
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=NC([O-])=CS1	REAL300024792751	0	38	-2.0	-109.23	365.31	-4.28	-113.51
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C([O-])C=CC=C1F	REAL300024792772	1	39	-2.0	-101.35	366.02	-0.74	-102.09
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300024792775	0	41	-2.0	-99.13	380.86	-3.65	-102.78
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(F)C=C1[O-]	REAL300024792777	0	39	-2.0	-106.39	356.64	0.54	-105.85
CC1=CC=C(F)C([O-])=C1C(=O)N(C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300024792823	0	42	-2.0	-107.70	385.47	-0.19	-107.89
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1SC(=O)[N-]C1=O	REAL300024792909	0	39	-2.0	-91.10	372.85	-5.03	-96.13
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([O-])C(F)=C1F	REAL300024792939	0	39	-2.0	-94.43	366.87	-0.88	-95.31
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300024792942	1	40	-2.0	-82.29	378.47	-2.39	-84.68
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300024792948	0	39	-2.0	-100.82	370.11	0.30	-100.52
CC1=CC(=O)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024792984	0	40	-2.0	-94.31	364.94	-0.12	-94.43
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300024792989	0	44	-2.0	-107.18	396.70	-0.57	-107.75
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300024793019	0	39	-2.0	-119.78	366.04	-0.52	-120.30
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300024793058	0	39	-2.0	-97.24	375.64	-2.60	-99.84
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300024793086	0	41	-2.0	-88.50	379.66	0.48	-88.02
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300024793127	0	38	-2.0	-97.50	354.20	-3.77	-101.27
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794163	0	39	-2.0	-94.26	375.78	-4.33	-98.59
CC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(=S)[N-]C(=O)N1	REAL300024794165	1	41	-2.0	-109.10	390.09	-2.92	-112.02
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300024794339	1	39	-2.0	-94.01	358.35	-0.98	-94.99
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300024794398	0	39	-2.0	-95.14	364.56	-0.91	-96.05
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300024794404	0	38	-2.0	-98.47	365.21	-1.68	-100.15
CC1=C(CC(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N(C)[N-]1	REAL300024794424	0	45	-2.0	-103.53	402.55	-1.14	-104.67
CC1=CN=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300024794469	1	41	-2.0	-105.47	369.59	0.49	-104.98
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC([O-])=CS1	REAL300024794500	0	36	-2.0	-103.34	343.56	-2.21	-105.55
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300024794521	0	39	-2.0	-100.23	366.30	-0.29	-100.52
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=S)[N-]C(=O)N1	REAL300024794550	1	41	-2.0	-111.06	389.21	-3.04	-114.10
CN(CCNC(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794756	0	37	-2.0	-90.53	351.92	-7.22	-97.75
CN(CCNC(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794756	1	37	-2.0	-85.87	352.84	-6.45	-92.32
CN(CCNC(=O)CN1[N-]C(=O)C=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794960	0	41	-2.0	-99.21	380.59	-3.58	-102.79
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794973	0	35	-2.0	-92.91	333.54	-3.68	-96.59
CN(CCNC(=O)C1=CN([O-])C(=O)NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024794992	0	39	-2.0	-89.68	364.27	-2.45	-92.13
CN(CCNC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024795024	1	40	-2.0	-80.98	375.59	-1.82	-82.80
CCN(CCNC(=O)C1=NNC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796156	0	40	-2.0	-94.98	366.56	-5.43	-100.41
CCN(CCNC(=O)CN1C(=O)[N-]NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796236	0	42	-2.0	-98.64	380.68	-3.76	-102.40
CCN(CCNC(=O)C1=CN([O-])C(=O)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796789	0	42	-2.0	-106.44	381.68	0.82	-105.62
CCN(CCNC(=O)C1=CC(=O)NC([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796900	0	42	-2.0	-88.49	378.11	-4.19	-92.68
CCN(CCNC(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796911	1	38	-2.0	-88.60	350.18	-4.35	-92.95
CCN(CC[N-]C(=O)C(F)(F)C(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024796998	1	37	-2.0	-85.79	360.32	-0.87	-86.66
CCN(CCNC(=O)C1=CC(=O)N(CC)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797076	0	45	-2.0	-93.16	399.56	-0.72	-93.88
CCN(CCNC(=O)C1=CC=CC(=S)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024797096	0	42	-2.0	-126.93	390.23	2.88	-124.05
CCN(CCNC(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797119	0	41	-2.0	-95.47	376.29	-3.03	-98.50
CCN(CCNC(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797201	0	40	-2.0	-82.47	359.23	-1.20	-83.67
CCN(CCNC(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797292	0	39	-2.0	-89.49	355.01	-3.36	-92.85
CCN(CCNC(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)NN1	REAL300024797297	0	44	-2.0	-93.00	393.22	-2.22	-95.22
CCN(CCNC(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)[N-]N1	REAL300024797297	1	44	-2.0	-93.00	393.22	-2.22	-95.22
CCN(CCNC(=O)CCC1=NC(=O)NN1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797322	0	44	-2.0	-99.13	390.94	-3.68	-102.81
CCN(CCNC(=O)CCC1=NC(=O)[N-]N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797322	1	44	-2.0	-99.13	390.94	-3.68	-102.81
CCN(CCNC(=O)C1=CC=CN([O-])C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797325	0	42	-2.0	-99.43	375.24	0.88	-98.55
CCN(CCNC(=O)C1=NC(=O)C(C)S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797351	0	41	-2.0	-94.39	381.55	-3.22	-97.61
CCN(CCNC(=O)C1=NC([O-])=C(C)S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797351	1	41	-2.0	-94.39	381.55	-3.22	-97.61
CCN(CCNC(=O)C1=CC(=O)N([O-])C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797380	0	42	-2.0	-106.45	382.05	0.83	-105.62
CCN(CCNC(=O)C1=CC=CC(=O)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024797410	0	42	-2.0	-123.47	379.12	1.84	-121.63
CCN(CCNC(=O)CC1=NC([O-])=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797567	0	41	-2.0	-108.80	385.55	-3.32	-112.12
CCN(CCNC(=O)C1=N[N-]C(C)=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797788	0	43	-2.0	-94.70	383.73	0.44	-94.26
CCN(CCNC(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797801	0	38	-2.0	-88.30	353.63	-4.53	-92.83
CCN(CCNC(=O)C1=CN=C(C=N[O-])S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024797907	0	41	-2.0	-100.49	394.42	-1.65	-102.14
CCN(CCNC(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024798054	0	42	-2.0	-92.33	377.83	-1.65	-93.98
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC=C1[O-]	REAL300024798306	1	41	-2.0	-104.35	366.91	1.07	-103.28
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300024798425	0	40	-2.0	-97.05	366.15	-4.89	-101.94
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C(=O)[N-]NC1=O	REAL300024798575	0	42	-2.0	-98.22	384.72	-3.71	-101.93
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300024799803	1	42	-2.0	-102.86	384.53	1.75	-101.11
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300024799827	1	43	-2.0	-86.16	390.46	0.13	-86.03
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300024799924	1	38	-2.0	-87.98	350.31	-2.37	-90.35
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N-]C(=O)C(F)(F)F	REAL300024799988	0	41	-2.0	-90.38	385.13	-3.55	-93.93
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([O-])C=C1F	REAL300024800009	1	42	-2.0	-94.65	374.47	-0.17	-94.82
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC([O-])=CC(=O)O1	REAL300024800015	0	41	-2.0	-90.74	374.95	-0.64	-91.38
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300024800021	1	43	-2.0	-88.54	392.93	0.29	-88.25
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300024800038	0	43	-2.0	-99.67	395.06	-4.83	-104.50
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]N=CC1=O	REAL300024800111	0	40	-2.0	-92.27	365.03	-1.71	-93.98
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(F)=C1[O-]	REAL300024800119	0	42	-2.0	-112.02	374.02	1.30	-110.72
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC([O-])=C1F	REAL300024800203	1	42	-2.0	-108.08	374.33	-0.15	-108.23
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300024800296	0	39	-2.0	-90.33	354.74	-2.82	-93.15
CCN(CCNC(=O)CSC1=NC(=O)NN1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300024800302	0	44	-2.0	-93.97	389.41	-2.25	-96.22
CCN(CCNC(=O)CSC1=NC(=O)[N-]N1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300024800302	1	44	-2.0	-93.97	389.41	-2.25	-96.22
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300024800385	0	42	-2.0	-107.48	375.95	0.35	-107.13
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300024800407	0	38	-2.0	-88.71	349.67	-3.14	-91.85
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(O)C=CC=C1Cl	REAL300024800409	0	42	-2.0	-99.44	388.14	0.51	-98.93
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C([O-])C=CC=C1Cl	REAL300024800409	1	42	-2.0	-99.44	388.14	0.51	-98.93
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CN([O-])C1=O	REAL300024800413	0	42	-2.0	-110.62	386.67	0.67	-109.95
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(F)=CC=C1O	REAL300024800567	0	42	-2.0	-102.05	374.21	1.30	-100.75
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(F)=CC=C1[O-]	REAL300024800567	1	42	-2.0	-102.05	374.21	1.30	-100.75
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC(C)=C1O	REAL300024800629	0	44	-2.0	-104.02	386.81	1.85	-102.17
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC(C)=C1[O-]	REAL300024800629	1	44	-2.0	-104.02	386.81	1.85	-102.17
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(=S)N1[O-]	REAL300024800732	0	42	-2.0	-128.95	384.33	2.20	-126.75
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(O)C=C1Cl	REAL300024800865	0	42	-2.0	-92.90	382.65	0.26	-92.64
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([O-])C=C1Cl	REAL300024800865	1	42	-2.0	-92.90	382.65	0.26	-92.64
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=NC([O-])=CS1	REAL300024800876	0	41	-2.0	-108.53	381.52	-3.47	-112.00
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300024800892	0	44	-2.0	-98.86	400.82	-2.73	-101.59
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300024801008	0	42	-2.0	-106.25	383.83	1.78	-104.47
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=N[N-]C(C)=CC1=O	REAL300024801036	0	43	-2.0	-94.83	383.61	0.95	-93.88
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300024801058	0	42	-2.0	-125.85	373.22	1.19	-124.66
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300024801081	0	42	-2.0	-91.38	396.44	-1.62	-93.00
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300024801122	0	41	-2.0	-97.72	372.33	-2.69	-100.41
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300024801167	1	43	-2.0	-96.32	393.54	-1.73	-98.05
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(C#N)C=C1[O-]	REAL300024801168	0	43	-2.0	-103.00	388.60	1.61	-101.39
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300024801176	0	43	-2.0	-99.15	395.31	0.59	-98.56
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300024801256	0	42	-2.0	-93.08	382.10	-2.33	-95.41
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(F)C([O-])=C1	REAL300024801304	1	42	-2.0	-91.79	375.83	-0.18	-91.97
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300024801322	1	42	-2.0	-105.46	384.52	1.75	-103.71
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024801385	0	40	-2.0	-89.03	368.29	-3.93	-92.96
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024801385	1	40	-2.0	-89.03	368.29	-3.93	-92.96
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C(N)NC1=O	REAL300024801438	0	42	-2.0	-96.72	384.79	-2.81	-99.53
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C(N)[N-]C1=O	REAL300024801438	1	42	-2.0	-96.72	384.79	-2.81	-99.53
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300024801565	0	38	-2.0	-94.80	350.38	-2.94	-97.74
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)C(C)S1	REAL300024801586	0	41	-2.0	-93.71	382.09	-1.80	-95.51
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC([O-])=C(C)S1	REAL300024801586	1	41	-2.0	-93.71	382.09	-1.80	-95.51
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(=O)C1=CC=C(O)C=C1	REAL300024801673	0	44	-2.0	-91.11	398.74	-0.12	-91.23
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300024801673	1	44	-2.0	-91.11	398.74	-0.12	-91.23
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C(C=N[O-])S1	REAL300024801690	0	41	-2.0	-105.04	386.67	-2.33	-107.37
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300024801725	0	42	-2.0	-88.77	387.45	-4.22	-92.99
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(CC)[N-]1	REAL300024801779	0	45	-2.0	-94.15	399.74	-0.22	-94.37
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300024801796	0	42	-2.0	-93.29	378.00	-1.15	-94.44
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(O)C(F)=C1	REAL300024801925	0	42	-2.0	-93.60	375.79	-0.14	-93.74
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300024801925	1	42	-2.0	-93.60	375.79	-0.14	-93.74
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=C(C)C=C1O	REAL300024802019	0	44	-2.0	-105.90	388.35	1.71	-104.19
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=C(C)C=C1[O-]	REAL300024802019	1	44	-2.0	-105.90	388.35	1.71	-104.19
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC([O-])=CS1	REAL300024802037	0	39	-2.0	-104.45	360.43	-1.51	-105.96
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300024802052	0	42	-2.0	-100.19	382.18	0.45	-99.74
CCN(CCNC(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802207	0	40	-2.0	-90.20	368.13	-6.42	-96.62
CCN(CCNC(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802207	1	40	-2.0	-85.33	372.81	-5.54	-90.87
CCN(CCNC(=O)CN1[N-]C(=O)C=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802340	0	44	-2.0	-99.30	396.79	-2.78	-102.08
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802347	0	38	-2.0	-92.75	349.75	-2.88	-95.63
CCN(CCNC(=O)C1=CN([O-])C(=O)NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024802358	0	42	-2.0	-89.51	380.49	-1.64	-91.15
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300024803115	0	41	-2.0	-97.78	373.44	-5.23	-103.01
O=C(CN1C(=O)[N-]NC1=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803163	0	43	-2.0	-100.92	387.02	-3.55	-104.47
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300024803503	0	43	-2.0	-109.55	384.52	0.90	-108.65
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300024803578	0	43	-2.0	-90.20	384.98	-4.01	-94.21
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=COC(=O)[N-]1	REAL300024803589	1	39	-2.0	-89.86	357.06	-4.18	-94.04
CCN1[N-]C(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024803694	0	46	-2.0	-95.67	406.43	-0.53	-96.20
CN1N=C(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024803720	0	42	-2.0	-98.61	379.21	-2.97	-101.58
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=C[N-]N=CC1=O	REAL300024803772	0	41	-2.0	-95.32	356.99	0.89	-94.43
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC(=O)N[N-]1	REAL300024803830	0	40	-2.0	-91.73	361.88	-3.17	-94.90
C[PH](C)([O-])C(=O)C(=O)NCC1CCCN1C(=O)CSC1=NC(=O)NN1	REAL300024803835	0	45	-2.0	-94.78	394.80	-2.37	-97.15
C[PH](C)([O-])C(=O)C(=O)NCC1CCCN1C(=O)CSC1=NC(=O)[N-]N1	REAL300024803835	1	45	-2.0	-94.78	394.80	-2.37	-97.15
O=C(CCC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024803853	0	45	-2.0	-96.31	397.90	-2.97	-99.28
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC=CN([O-])C1=O	REAL300024803855	0	43	-2.0	-118.44	374.21	2.65	-115.79
CC1SC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=NC1=O	REAL300024803874	0	42	-2.0	-95.05	388.43	-3.05	-98.10
CC1=C([O-])N=C(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024803874	1	42	-2.0	-95.05	388.43	-3.05	-98.10
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300024803888	0	43	-2.0	-109.17	384.89	0.90	-108.27
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300024803909	0	43	-2.0	-100.40	380.56	0.98	-99.42
O=C(CC1=NC([O-])=CS1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300024804010	0	42	-2.0	-113.03	388.39	-3.26	-116.29
CC1=CC(=O)C(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024804148	0	44	-2.0	-98.08	390.59	0.63	-97.45
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=NC(=O)N[N-]1	REAL300024804158	0	39	-2.0	-90.16	356.47	-4.47	-94.63
CN1[N-]C(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024804324	0	43	-2.0	-94.69	384.20	-1.43	-96.12
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=NC=CC=C1[O-]	REAL300024804574	1	42	-2.0	-108.19	370.05	0.68	-107.51
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300024804663	0	41	-2.0	-98.51	369.63	-5.11	-103.62
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300024804749	0	43	-2.0	-100.02	387.26	-3.61	-103.63
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=COC(=O)[N-]1	REAL300024805533	1	39	-2.0	-90.17	353.29	-3.07	-93.24
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC=C([O-])C=C1F	REAL300024805595	1	43	-2.0	-97.01	375.57	0.74	-96.27
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300024805598	0	42	-2.0	-91.61	378.38	-0.59	-92.20
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300024805655	0	41	-2.0	-88.98	362.26	-0.69	-89.67
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300024805662	0	43	-2.0	-111.95	375.09	2.05	-109.90
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC=CC([O-])=C1F	REAL300024805717	1	43	-2.0	-110.39	375.40	0.72	-109.67
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300024805781	0	40	-2.0	-92.46	358.13	-2.98	-95.44
C[PH](C)([O-])C(=O)C(=O)N1CCCC1CNC(=O)CSC1=NC(=O)NN1	REAL300024805786	0	45	-2.0	-94.89	392.45	-2.37	-97.26
C[PH](C)([O-])C(=O)C(=O)N1CCCC1CNC(=O)CSC1=NC(=O)[N-]N1	REAL300024805786	1	45	-2.0	-94.89	392.45	-2.37	-97.26
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300024805831	0	43	-2.0	-112.83	375.51	1.14	-111.69
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=NC(=O)N[N-]1	REAL300024805845	0	39	-2.0	-91.01	352.90	-3.70	-94.71
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC=CN([O-])C1=O	REAL300024805849	0	43	-2.0	-108.44	377.41	1.37	-107.07
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC(F)=CC=C1O	REAL300024805945	0	43	-2.0	-102.30	375.28	2.05	-100.25
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300024805945	1	43	-2.0	-102.30	375.28	2.05	-100.25
CC1=CC=NC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300024805986	0	45	-2.0	-108.09	390.41	1.36	-106.73
CC1=CC=NC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300024805986	1	45	-2.0	-108.09	390.41	1.36	-106.73
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)CC1=NC([O-])=CS1	REAL300024806119	0	42	-2.0	-111.56	388.12	-3.27	-114.83
CC1=CC(=O)C(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024806214	0	44	-2.0	-97.76	386.82	0.77	-96.99
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300024806229	0	43	-2.0	-110.94	384.22	1.25	-109.69
CN1N=C(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024806271	0	42	-2.0	-99.82	375.66	-2.79	-102.61
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300024806384	1	43	-2.0	-95.25	376.40	0.66	-94.59
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024806429	0	41	-2.0	-88.71	372.84	-4.71	-93.42
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024806429	1	41	-2.0	-88.71	372.84	-4.71	-93.42
NC1=NC=C(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024806463	0	43	-2.0	-96.99	376.85	-2.02	-99.01
NC1=NC=C(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300024806463	1	43	-2.0	-96.99	376.85	-2.02	-99.01
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300024806543	0	39	-2.0	-95.52	353.12	-2.84	-98.36
CC1SC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)=NC1=O	REAL300024806558	0	42	-2.0	-95.54	385.07	-2.29	-97.83
CC1=C([O-])N=C(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024806558	1	42	-2.0	-95.54	385.07	-2.29	-97.83
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300024806649	0	43	-2.0	-92.60	375.72	-3.57	-96.17
CCN1[N-]C(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024806687	0	46	-2.0	-96.37	402.65	-0.34	-96.71
CN1[N-]C(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024806703	0	43	-2.0	-95.38	380.86	-1.27	-96.65
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC=C(O)C(F)=C1	REAL300024806783	0	43	-2.0	-96.96	376.39	0.71	-96.25
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300024806783	1	43	-2.0	-96.96	376.39	0.71	-96.25
CC1=CN=C(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1	REAL300024806838	0	45	-2.0	-109.72	391.51	1.30	-108.42
CC1=CN=C(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300024806838	1	45	-2.0	-109.72	391.51	1.30	-108.42
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC([O-])=CS1	REAL300024806850	0	40	-2.0	-107.44	361.84	-0.43	-107.87
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300024806861	0	43	-2.0	-112.68	375.55	1.10	-111.58
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024806955	0	41	-2.0	-90.62	375.00	-6.23	-96.85
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024806955	1	41	-2.0	-87.42	375.65	-5.47	-92.89
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300024807054	0	39	-2.0	-94.25	356.63	-2.69	-96.94
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024807800	0	41	-2.0	-92.34	377.11	-5.34	-97.68
O=C(CN1C(=O)[N-]NC1=O)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024807848	0	43	-2.0	-92.88	391.23	-3.67	-96.55
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024808188	0	43	-2.0	-104.16	388.20	0.80	-103.36
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024808263	0	43	-2.0	-88.62	388.66	-4.11	-92.73
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=COC(=O)[N-]2)C1	REAL300024808274	1	39	-2.0	-90.89	360.74	-4.27	-95.16
CCN1[N-]C(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024808379	0	46	-2.0	-91.94	410.11	-0.63	-92.57
CN1N=C(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024808405	0	42	-2.0	-94.73	382.88	-3.07	-97.80
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=C[N-]N=CC2=O)C1	REAL300024808457	0	41	-2.0	-83.14	369.78	-1.11	-84.25
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300024808515	0	40	-2.0	-88.83	365.56	-3.28	-92.11
C[PH](C)([O-])C(=O)C(=O)NCC1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024808520	0	45	-2.0	-91.15	403.97	-2.41	-93.56
C[PH](C)([O-])C(=O)C(=O)NCC1CCN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024808520	1	45	-2.0	-91.15	403.97	-2.41	-93.56
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024808540	0	43	-2.0	-104.58	385.79	0.96	-103.62
CC1SC(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024808559	0	42	-2.0	-98.14	392.10	-3.15	-101.29
CC1=C([O-])N=C(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024808559	1	42	-2.0	-98.14	392.10	-3.15	-101.29
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024808573	0	43	-2.0	-105.05	388.57	0.79	-104.26
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024808594	0	43	-2.0	-116.58	385.71	1.80	-114.78
O=C(CC1=NC([O-])=CS1)NCC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024808695	0	42	-2.0	-105.05	392.07	-3.35	-108.40
CC1=CC(=O)C(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024808833	0	44	-2.0	-92.01	394.28	0.53	-91.48
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300024808843	0	39	-2.0	-90.28	360.15	-4.56	-94.84
CN1[N-]C(C(=O)NCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024809009	0	43	-2.0	-91.25	388.38	-1.56	-92.81
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300024809259	1	42	-2.0	-103.96	374.01	0.50	-103.46
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024809348	0	41	-2.0	-94.82	373.62	-5.26	-100.08
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024809434	0	43	-2.0	-94.77	391.32	-3.76	-98.53
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024810218	1	39	-2.0	-87.82	357.33	-3.38	-91.20
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300024810280	1	43	-2.0	-92.06	386.53	-0.11	-92.17
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300024810283	0	42	-2.0	-88.59	382.40	-0.75	-89.34
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300024810340	0	41	-2.0	-89.46	375.55	-1.49	-90.95
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300024810347	0	43	-2.0	-107.47	385.69	0.98	-106.49
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300024810402	1	43	-2.0	-103.59	385.95	-0.05	-103.64
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024810466	0	40	-2.0	-89.15	362.38	-3.21	-92.36
C[PH](C)([O-])C(=O)C(=O)N1CCC(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024810471	0	45	-2.0	-95.44	395.50	-2.54	-97.98
C[PH](C)([O-])C(=O)C(=O)N1CCC(CNC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024810471	1	45	-2.0	-95.44	395.50	-2.54	-97.98
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024810516	0	43	-2.0	-101.17	392.60	0.65	-100.52
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024810530	0	39	-2.0	-88.05	357.13	-4.04	-92.09
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300024810534	0	43	-2.0	-114.31	392.20	0.58	-113.73
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300024810630	0	43	-2.0	-98.44	386.11	0.91	-97.53
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300024810630	1	43	-2.0	-98.44	386.11	0.91	-97.53
CC1=CC=NC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300024810671	0	45	-2.0	-103.80	394.34	1.20	-102.60
CC1=CC=NC(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024810671	1	45	-2.0	-103.80	394.34	1.20	-102.60
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300024810804	0	42	-2.0	-107.33	392.17	-3.42	-110.75
CC1=CC(=O)C(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024810899	0	44	-2.0	-93.98	390.82	0.60	-93.38
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024810914	0	43	-2.0	-112.71	391.87	0.44	-112.27
CN1N=C(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024810956	0	42	-2.0	-96.11	379.66	-2.97	-99.08
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300024811069	0	43	-2.0	-103.95	382.44	-0.23	-104.18
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300024811069	1	43	-2.0	-103.95	382.44	-0.23	-104.18
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024811114	0	41	-2.0	-89.45	374.98	-5.63	-95.08
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024811114	1	41	-2.0	-85.18	375.75	-4.92	-90.10
NC1=NC=C(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024811148	1	43	-2.0	-98.65	390.34	-2.87	-101.52
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300024811223	0	42	-2.0	-101.66	374.74	-1.15	-102.81
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024811228	0	39	-2.0	-92.27	357.45	-3.00	-95.27
CC1=C([O-])N=C(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024811243	1	42	-2.0	-93.27	389.28	-2.61	-95.88
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024811334	0	43	-2.0	-87.07	392.83	-4.32	-91.39
CCN1[N-]C(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024811372	0	46	-2.0	-92.91	406.90	-0.56	-93.47
CN1[N-]C(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024811388	0	43	-2.0	-92.01	385.09	-1.50	-93.51
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300024811468	1	43	-2.0	-95.59	382.40	-0.19	-95.78
CC1=CN=C(C(=O)N2CCC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024811523	1	45	-2.0	-105.57	395.27	1.20	-104.37
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC([O-])=CS2)C1	REAL300024811535	0	40	-2.0	-100.67	368.96	-1.22	-101.89
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024811546	0	43	-2.0	-100.78	392.31	0.65	-100.13
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024811640	0	41	-2.0	-86.72	379.33	-5.57	-92.29
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024811640	1	41	-2.0	-86.72	379.33	-5.57	-92.29
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300024811739	0	39	-2.0	-93.46	360.30	-2.79	-96.25
CCCN(CCNC(=O)C1=NNC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812455	0	43	-2.0	-94.68	388.06	-4.68	-99.36
CCCN(CCNC(=O)C1=CN([O-])C(=O)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812830	0	45	-2.0	-106.10	403.18	1.58	-104.52
CCCN(CCNC(=O)C1=CC(=O)NC([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812899	0	45	-2.0	-88.19	399.61	-3.44	-91.63
CCCN(CCNC(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024812909	1	41	-2.0	-88.22	371.68	-3.60	-91.82
CCCN(CCNC(=O)C1=CC(=O)N(CC)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813012	0	48	-2.0	-92.85	421.05	0.03	-92.82
CCCN(CCNC(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813036	0	44	-2.0	-95.10	397.79	-2.27	-97.37
CCCN(CCNC(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813083	0	43	-2.0	-82.09	380.74	-0.45	-82.54
CCCN(CCNC(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813137	0	42	-2.0	-89.15	376.51	-2.62	-91.77
CCCN(CCNC(=O)CCC1=NC(=O)[N-]N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813160	1	47	-2.0	-98.83	412.43	-2.94	-101.77
CCCN(CCNC(=O)C1=CC=CN([O-])C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813162	0	45	-2.0	-99.03	396.74	1.63	-97.40
CCCN(CCNC(=O)C1=CC(=O)N([O-])C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813190	0	45	-2.0	-106.19	403.55	1.59	-104.60
CCCN(CCNC(=O)C1=CC=CC(=O)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024813210	0	45	-2.0	-123.13	400.62	2.60	-120.53
CCCN(CCNC(=O)C1=N[N-]C(C)=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813437	0	46	-2.0	-94.40	405.23	1.19	-93.21
CCCN(CCNC(=O)C1=NNC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813446	0	41	-2.0	-92.08	375.03	-3.94	-96.02
CCCN(CCNC(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024813603	0	45	-2.0	-92.01	399.33	-0.90	-92.91
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC=C1[O-]	REAL300024813853	1	44	-2.0	-102.11	388.47	1.78	-100.33
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300024813942	0	43	-2.0	-98.24	387.39	-4.18	-102.42
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300024814763	1	41	-2.0	-91.91	371.88	-1.66	-93.57
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([O-])C=C1F	REAL300024814822	1	45	-2.0	-92.47	396.69	0.48	-91.99
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC([O-])=CC(=O)O1	REAL300024814825	0	44	-2.0	-94.79	396.43	0.07	-94.72
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]N=CC1=O	REAL300024814878	0	43	-2.0	-88.50	391.86	-0.75	-89.25
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(F)=C1[O-]	REAL300024814885	0	45	-2.0	-112.85	402.19	1.00	-111.85
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC([O-])=C1F	REAL300024814935	1	45	-2.0	-108.55	402.49	0.71	-107.84
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300024814995	0	42	-2.0	-91.89	376.17	-2.10	-93.99
CCCN(CCNC(=O)CSC1=NC(=O)NN1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300024815000	0	47	-2.0	-93.06	410.86	-1.17	-94.23
CCCN(CCNC(=O)CSC1=NC(=O)[N-]N1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300024815000	1	47	-2.0	-93.06	410.86	-1.17	-94.23
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300024815045	0	45	-2.0	-104.67	397.44	0.97	-103.70
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300024815059	0	41	-2.0	-92.54	371.07	-2.39	-94.93
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CN([O-])C1=O	REAL300024815062	0	45	-2.0	-122.95	408.08	1.43	-121.52
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(F)=CC=C1[O-]	REAL300024815155	1	45	-2.0	-96.00	396.40	1.85	-94.15
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC(C)=C1[O-]	REAL300024815195	1	47	-2.0	-103.84	408.41	2.61	-101.23
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C([O-])C=CC=C1F	REAL300024815327	0	45	-2.0	-96.66	400.46	0.71	-95.95
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(F)C=C1[O-]	REAL300024815328	0	45	-2.0	-97.69	396.42	1.84	-95.85
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=N[N-]C(C)=CC1=O	REAL300024815409	0	46	-2.0	-94.61	404.55	1.67	-92.94
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300024815423	0	45	-2.0	-108.19	401.85	0.94	-107.25
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300024815464	0	44	-2.0	-97.98	393.82	-1.96	-99.94
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(F)C([O-])=C1	REAL300024815571	1	45	-2.0	-96.21	397.68	0.48	-95.73
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024815613	0	43	-2.0	-88.92	387.71	-3.41	-92.33
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024815613	1	43	-2.0	-88.92	387.71	-3.41	-92.33
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C(N)NC1=O	REAL300024815645	0	45	-2.0	-96.91	406.29	-2.06	-98.97
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C(N)[N-]C1=O	REAL300024815645	1	45	-2.0	-96.91	406.29	-2.06	-98.97
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300024815718	0	41	-2.0	-97.90	371.88	-2.20	-100.10
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300024815816	0	45	-2.0	-88.72	408.95	-3.47	-92.19
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(CC)[N-]1	REAL300024815852	0	48	-2.0	-94.42	421.30	0.49	-93.93
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300024815867	0	45	-2.0	-94.13	399.58	-0.43	-94.56
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C(O)C(F)=C1	REAL300024815945	0	45	-2.0	-95.16	397.65	0.51	-94.65
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300024815945	1	45	-2.0	-95.16	397.65	0.51	-94.65
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=C(C)C=C1O	REAL300024815996	0	47	-2.0	-103.29	409.92	2.41	-100.88
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=C(C)C=C1[O-]	REAL300024815996	1	47	-2.0	-103.29	409.92	2.41	-100.88
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC([O-])=CS1	REAL300024816007	0	42	-2.0	-106.24	381.13	-0.77	-107.01
CCCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300024816018	0	45	-2.0	-100.10	403.68	1.20	-98.90
CCCN(CCNC(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024816109	0	43	-2.0	-89.82	389.62	-5.67	-95.49
CCCN(CCNC(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024816109	1	43	-2.0	-85.02	394.31	-4.78	-89.80
CCCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024816197	0	41	-2.0	-92.48	371.25	-2.13	-94.61
O=C(CSC1=NNC(=O)[N-]1)N(CCNC(=O)C1=NNC(=O)[N-]C1=O)C1CC1	REAL300024816941	0	41	-2.0	-93.69	376.31	-4.87	-98.56
O=C(CN1C(=O)[N-]NC1=O)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024816989	0	43	-2.0	-101.09	389.02	-3.03	-104.12
O=C(CSC1=NNC(=O)[N-]1)N(CCNC(=O)C1=CN([O-])C(=O)C=C1)C1CC1	REAL300024817329	0	43	-2.0	-105.64	387.39	1.27	-104.37
O=C(CSC1=NNC(=O)[N-]1)N(CCNC(=O)C1=CC(=O)NC([O-])=C1)C1CC1	REAL300024817404	0	43	-2.0	-91.08	385.07	-3.62	-94.70
O=C(CSC1=NNC(=O)[N-]1)N(CCNC(=O)C1=COC(=O)[N-]1)C1CC1	REAL300024817415	1	39	-2.0	-87.65	359.93	-3.79	-91.44
CCN1[N-]C(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)=CC1=O	REAL300024817520	0	46	-2.0	-95.65	406.51	-0.15	-95.80
CN1N=C(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)[N-]C1=O	REAL300024817546	0	42	-2.0	-94.94	382.07	-2.59	-97.53
O=C(CSC1=NNC(=O)[N-]1)N(CCNC(=O)C1=C[N-]N=CC1=O)C1CC1	REAL300024817598	0	41	-2.0	-81.64	368.98	-0.64	-82.28
O=C(CSC1=NNC(=O)[N-]1)N(CCNC(=O)C1=CC(=O)N[N-]1)C1CC1	REAL300024817656	0	40	-2.0	-88.29	364.75	-2.81	-91.10
C[PH](C)([O-])C(=O)C(=O)NCCN(C(=O)CSC1=NC(=O)NN1)C1CC1	REAL300024817661	0	45	-2.0	-92.79	401.35	-2.02	-94.81
C[PH](C)([O-])C(=O)C(=O)NCCN(C(=O)CSC1=NC(=O)[N-]N1)C1CC1	REAL300024817661	1	45	-2.0	-92.79	401.35	-2.02	-94.81
O=C(CCC1=NNC(=O)[N-]1)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817679	0	45	-2.0	-92.89	400.77	-2.60	-95.49
O=C(CSC1=NNC(=O)[N-]1)N(CCNC(=O)C1=CC=CN([O-])C1=O)C1CC1	REAL300024817681	0	43	-2.0	-99.27	384.98	1.44	-97.83
CC1SC(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)=NC1=O	REAL300024817700	0	42	-2.0	-96.44	388.50	-2.67	-99.11
CC1=C([O-])N=C(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)S1	REAL300024817700	1	42	-2.0	-96.44	388.50	-2.67	-99.11
O=C(CSC1=NNC(=O)[N-]1)N(CCNC(=O)C1=CC(=O)N([O-])C=C1)C1CC1	REAL300024817714	0	43	-2.0	-105.71	387.76	1.26	-104.45
O=C(CSC1=NNC(=O)[N-]1)N(CCNC(=O)C1=CC=CC(=O)N1[O-])C1CC1	REAL300024817735	0	43	-2.0	-122.93	384.83	2.28	-120.65
O=C(CC1=NC([O-])=CS1)NCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300024817836	0	42	-2.0	-110.04	389.86	-2.70	-112.74
CC1=CC(=O)C(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)=N[N-]1	REAL300024817974	0	44	-2.0	-93.53	393.47	1.00	-92.53
O=C(CSC1=NNC(=O)[N-]1)N(CCNC(=O)C1=NC(=O)N[N-]1)C1CC1	REAL300024817984	0	39	-2.0	-91.12	356.55	-4.09	-95.21
CN1[N-]C(C(=O)NCCN(C(=O)CSC2=NNC(=O)[N-]2)C2CC2)=CC1=O	REAL300024818150	0	43	-2.0	-94.73	384.78	-1.09	-95.82
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=NC=CC=C1[O-])C1CC1	REAL300024818400	1	42	-2.0	-102.05	370.37	1.42	-100.63
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=NNC(=O)[N-]C1=O)C1CC1	REAL300024818489	0	41	-2.0	-98.31	370.04	-4.56	-102.87
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)CN1C(=O)[N-]NC1=O)C1CC1	REAL300024818575	0	43	-2.0	-98.04	387.63	-3.27	-101.31
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=COC(=O)[N-]1)C1CC1	REAL300024819359	1	39	-2.0	-92.10	353.99	-1.89	-93.99
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=CC=C([O-])C=C1F)C1CC1	REAL300024819421	1	43	-2.0	-92.56	381.10	0.45	-92.11
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=CC([O-])=CC(=O)O1)C1CC1	REAL300024819424	0	42	-2.0	-95.10	378.71	-0.16	-95.26
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=C[N-]N=CC1=O)C1CC1	REAL300024819481	0	41	-2.0	-80.92	364.45	-1.42	-82.34
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=CC=CC(F)=C1[O-])C1CC1	REAL300024819488	0	43	-2.0	-104.01	379.70	1.69	-102.32
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=CC=CC([O-])=C1F)C1CC1	REAL300024819543	1	43	-2.0	-102.10	380.01	0.43	-101.67
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=CC(=O)N[N-]1)C1CC1	REAL300024819607	0	40	-2.0	-92.45	358.85	-2.33	-94.78
C[PH](C)([O-])C(=O)C(=O)N(CCNC(=O)CSC1=NC(=O)NN1)C1CC1	REAL300024819612	0	45	-2.0	-94.93	397.42	-1.84	-96.77
C[PH](C)([O-])C(=O)C(=O)N(CCNC(=O)CSC1=NC(=O)[N-]N1)C1CC1	REAL300024819612	1	45	-2.0	-94.93	397.42	-1.84	-96.77
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=CC(=O)N([O-])C=C1)C1CC1	REAL300024819657	0	43	-2.0	-105.45	381.22	0.92	-104.53
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=NC(=O)N[N-]1)C1CC1	REAL300024819671	0	39	-2.0	-93.02	352.95	-2.58	-95.60
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=CC=CN([O-])C1=O)C1CC1	REAL300024819675	0	43	-2.0	-101.87	380.77	0.53	-101.34
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=CC(F)=CC=C1O)C1CC1	REAL300024819771	0	43	-2.0	-96.87	379.96	1.69	-95.18
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=CC(F)=CC=C1[O-])C1CC1	REAL300024819771	1	43	-2.0	-96.87	379.96	1.69	-95.18
CC1=CC=NC(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=C1O	REAL300024819812	0	45	-2.0	-101.62	390.69	2.09	-99.53
CC1=CC=NC(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=C1[O-]	REAL300024819812	1	45	-2.0	-101.62	390.69	2.09	-99.53
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)CC1=NC([O-])=CS1)C1CC1	REAL300024819945	0	42	-2.0	-112.53	389.52	-2.99	-115.52
CC1=CC(=O)C(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=N[N-]1	REAL300024820040	0	44	-2.0	-94.78	387.23	1.32	-93.46
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=CC=CC(=O)N1[O-])C1CC1	REAL300024820055	0	43	-2.0	-115.18	379.37	1.59	-113.59
CN1N=C(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)[N-]C1=O	REAL300024820097	0	42	-2.0	-98.07	375.61	-2.12	-100.19
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=CC=C(F)C([O-])=C1)C1CC1	REAL300024820210	1	43	-2.0	-96.70	381.34	0.42	-96.28
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=NC(=O)[N-]C(=O)N1)C1CC1	REAL300024820255	0	41	-2.0	-89.10	372.08	-3.54	-92.64
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=NC(=O)NC(=O)[N-]1)C1CC1	REAL300024820255	1	41	-2.0	-89.10	372.08	-3.54	-92.64
NC1=NC=C(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C(=O)N1	REAL300024820289	0	43	-2.0	-87.57	378.89	-2.80	-90.37
NC1=NC=C(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C(=O)[N-]1	REAL300024820289	1	43	-2.0	-87.57	378.89	-2.80	-90.37
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300024820369	0	39	-2.0	-98.78	354.10	-2.36	-101.14
CC1SC(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=NC1=O	REAL300024820384	0	42	-2.0	-99.40	385.12	-1.12	-100.52
CC1=C([O-])N=C(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)S1	REAL300024820384	1	42	-2.0	-99.40	385.12	-1.12	-100.52
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=CC(=O)NC([O-])=C1)C1CC1	REAL300024820475	0	43	-2.0	-90.00	381.38	-3.99	-93.99
CCN1[N-]C(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=CC1=O	REAL300024820513	0	46	-2.0	-94.90	403.18	0.32	-94.58
CN1[N-]C(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=CC1=O	REAL300024820529	0	43	-2.0	-94.66	381.59	-0.62	-95.28
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=CC=C(O)C(F)=C1)C1CC1	REAL300024820609	0	43	-2.0	-95.95	381.30	0.47	-95.48
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=CC=C([O-])C(F)=C1)C1CC1	REAL300024820609	1	43	-2.0	-95.95	381.30	0.47	-95.48
CC1=CN=C(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C(O)=C1	REAL300024820664	0	45	-2.0	-101.73	391.38	2.18	-99.55
CC1=CN=C(C(=O)N(CCNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C([O-])=C1	REAL300024820664	1	45	-2.0	-101.73	391.38	2.18	-99.55
O=C(CSC1=NNC(=O)[N-]1)NCCN(C(=O)C1=CC([O-])=CS1)C1CC1	REAL300024820676	0	40	-2.0	-106.04	363.60	-0.91	-106.95
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O=C(CSC1=NNC(=O)[N-]1)N(CCNC(=O)C1=CC(=O)[N-]O1)C1CC1	REAL300024820880	0	39	-2.0	-91.61	359.50	-2.32	-93.93
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300024821370	1	44	-2.0	-102.27	401.82	-1.51	-103.78
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300024822163	0	43	-2.0	-94.33	394.69	-6.14	-100.47
CC(=O)[N-]C1=NC(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024822164	1	41	-2.0	-85.13	386.31	-2.00	-87.13
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300024822301	1	44	-2.0	-97.02	400.43	-1.99	-99.01
COC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)NC(=O)[N-]C1=O	REAL300024822402	1	42	-2.0	-92.31	390.61	-6.40	-98.71
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300024822505	0	37	-2.0	-96.66	348.20	-6.02	-102.68
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C(=O)[N-]NC1=O	REAL300024822615	0	39	-2.0	-98.62	364.75	-4.62	-103.24
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CN([O-])C1=O	REAL300024824169	0	39	-2.0	-118.90	365.94	-0.32	-119.22
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CC1=C([O-])N=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024824212	1	38	-2.0	-93.73	362.87	-3.09	-96.82
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300024824229	1	38	-2.0	-86.72	366.58	-0.32	-87.04
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300024824251	0	39	-2.0	-108.71	358.58	-0.52	-109.23
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300024824306	0	39	-2.0	-119.78	366.04	-0.52	-120.30
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N-]C(=O)C(F)(F)F	REAL300024824472	0	38	-2.0	-89.82	369.19	-4.34	-94.16
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=C([O-])N=C(N)S1	REAL300024824473	0	40	-2.0	-106.87	380.39	-5.13	-112.00
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=NC([O-])=CS1	REAL300024824530	0	38	-2.0	-109.23	365.31	-4.28	-113.51
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300024824567	0	40	-2.0	-104.10	374.80	-5.76	-109.86
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300024824642	0	35	-2.0	-93.39	351.83	-3.32	-96.71
COCC1=NC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024824743	0	44	-2.0	-90.51	399.65	-3.90	-94.41
COCC1=NC=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300024824743	1	44	-2.0	-90.51	399.65	-3.90	-94.41
CC1=CC(=O)C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024824841	0	40	-2.0	-94.31	364.94	-0.12	-94.43
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NNC(=O)[N-]1	REAL300024824859	0	35	-2.0	-94.33	331.37	-5.43	-99.76
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300024824883	0	40	-2.0	-89.36	373.13	-1.55	-90.91
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300024824883	1	40	-2.0	-89.36	373.13	-1.55	-90.91
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C(C=N[O-])S1	REAL300024825013	0	38	-2.0	-104.53	369.76	-3.07	-107.60
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300024825240	0	39	-2.0	-92.86	358.89	-2.19	-95.05
CN(CCNC(=O)C1=NC=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024825496	1	38	-2.0	-104.62	350.85	-0.71	-105.33
CN(CCNC(=O)CCN1C=C[N-]C(=O)C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825608	1	44	-2.0	-97.30	400.71	-1.95	-99.25
CC(=O)[N-]C1=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300024825619	1	41	-2.0	-85.93	388.92	-2.60	-88.53
CN(CCNC(=O)C1=NNC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825647	0	37	-2.0	-95.01	350.36	-6.23	-101.24
COC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)NC(=O)[N-]C1=O	REAL300024825696	1	42	-2.0	-93.60	384.12	-4.92	-98.52
CN(CCNC(=O)CN1C(=O)[N-]NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024825858	0	39	-2.0	-98.59	364.48	-4.57	-103.16
CN(CCNC(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024826973	1	44	-2.0	-89.70	395.02	-1.05	-90.75
CN(CCNC(=O)CCC1=NNC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827765	0	43	-2.0	-94.49	394.96	-6.08	-100.57
CN(CCNC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827775	0	41	-2.0	-95.28	382.01	1.20	-94.08
CN(CCNC(=O)C1=CC(Cl)=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024827789	1	39	-2.0	-101.68	370.35	1.51	-100.17
CN(CCNC(=O)C1=CC([O-])=CC(C#N)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827819	1	40	-2.0	-86.61	376.91	-0.26	-86.87
CN(CCNC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024827901	0	41	-2.0	-111.66	379.63	2.25	-109.41
CN(CCNC(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024827955	1	35	-2.0	-88.80	333.97	-5.15	-93.95
CN(CCNC(=O)C1=CC=CC([O-])=C1[N+](=O)[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024828028	0	41	-2.0	-110.19	382.78	1.19	-109.00
CN(CCNC(=O)C[N-]C(=O)C(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828044	0	38	-2.0	-89.78	369.19	-4.26	-94.04
CN(CCNC(=O)CC1=C([O-])N=C(N)S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828045	0	40	-2.0	-107.32	380.13	-5.11	-112.43
CN(CCNC(=O)C1=C(F)C=C([O-])C=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828056	0	39	-2.0	-88.12	372.06	-0.68	-88.80
CN(CCNC(=O)C1=CC=C([O-])C=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828077	1	39	-2.0	-94.07	360.57	-0.53	-94.60
CN(CCNC(=O)C1=CC([O-])=CC(=O)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828085	0	38	-2.0	-89.23	359.39	-1.38	-90.61
CN(CCNC(=O)C1=CC=C(C#N)C([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828095	1	40	-2.0	-98.91	375.93	-0.20	-99.11
CN(CCNC(=O)C1=CC(Cl)=NC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024828099	0	38	-2.0	-97.43	365.77	-0.40	-97.83
CN(CCNC(=O)C1=C(N)[N-]C(=O)C(C#N)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828106	0	41	-2.0	-88.47	379.93	-3.25	-91.72
CN(CCNC(=O)CN1N=CC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828123	0	40	-2.0	-100.10	374.81	-5.68	-105.78
CN(CCNC(=O)CCC1=NC(=O)[N-]N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828207	1	41	-2.0	-99.31	374.73	-4.49	-103.80
CN(CCNC(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828229	0	37	-2.0	-82.52	343.02	-2.01	-84.53
CN(CCNC(=O)C1=CC=CC(F)=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024828241	0	39	-2.0	-110.39	360.12	1.07	-109.32
CN(CCNC(=O)C1=CC=CC([O-])=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828357	1	39	-2.0	-106.61	360.44	-0.55	-107.16
CN(CCNC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828433	0	41	-2.0	-99.80	381.77	1.15	-98.65
CN(CCNC(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828499	0	36	-2.0	-89.53	338.80	-4.17	-93.70
CN(CCNC(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)NN1	REAL300024828507	0	41	-2.0	-93.37	373.25	-3.13	-96.50
CN(CCNC(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)[N-]N1	REAL300024828507	1	41	-2.0	-93.37	373.25	-3.13	-96.50
COCC1=NC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300024828570	0	44	-2.0	-89.47	397.14	-3.40	-92.87
COCC1=NC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300024828570	1	44	-2.0	-89.47	397.14	-3.40	-92.87
CN(CCNC(=O)C1=CC(=O)N([O-])C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828628	0	39	-2.0	-107.03	362.08	-0.09	-107.12
CN(CCNC(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828662	0	35	-2.0	-88.81	333.66	-5.44	-94.25
CN(CCNC(=O)C1=C(O)C=CC=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828667	0	39	-2.0	-95.80	375.29	-0.28	-96.08
CN(CCNC(=O)C1=C([O-])C=CC=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828667	1	39	-2.0	-95.80	375.29	-0.28	-96.08
CN(CCNC(=O)C1=CC=CN([O-])C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828674	0	39	-2.0	-99.66	359.02	0.07	-99.59
CN(CCNC(=O)C1=C(F)C=CC(O)=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828706	0	39	-2.0	-92.98	371.89	-0.70	-93.68
CN(CCNC(=O)C1=C(F)C=CC([O-])=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828706	1	39	-2.0	-92.98	371.89	-0.70	-93.68
CN(CCNC(=O)C1=CC(F)=CC=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024828893	0	39	-2.0	-101.08	360.03	1.05	-100.03
CN(CCNC(=O)C1=CC(F)=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024828893	1	39	-2.0	-101.08	360.03	1.05	-100.03
CC1=CC=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300024828979	0	41	-2.0	-104.32	371.45	0.00	-104.32
CC1=CC=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300024828979	1	41	-2.0	-104.32	371.45	0.00	-104.32
CN(CCNC(=O)C1=CC=C2N=NN([O-])C2=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830173	0	41	-2.0	-104.99	377.99	-1.59	-106.58
CN(CCNC(=O)C1=C(Cl)C(=O)[N-]S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830213	0	35	-2.0	-90.19	356.36	-2.87	-93.06
CN(CCNC(=O)C1=CN=C(N)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830235	1	39	-2.0	-89.03	357.24	-3.29	-92.32
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)[N-]C(=O)C(C#N)=C1	REAL300024830266	0	42	-2.0	-85.33	388.75	-1.48	-86.81
CN(CCNC(=O)C1=CC=C(F)C([O-])=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830286	0	39	-2.0	-106.39	366.36	-0.50	-106.89
CN(CCNC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830346	1	40	-2.0	-88.68	375.99	-1.14	-89.82
COC1=NC(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300024830351	0	41	-2.0	-93.86	379.79	-6.13	-99.99
CN(CCNC(=O)C1=CC=C2N[N-]N=C2C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830353	0	41	-2.0	-102.17	374.18	-0.67	-102.84
CN(CCNC(=O)C1=NC=CC(Cl)=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024830366	0	38	-2.0	-100.43	367.32	-0.17	-100.60
CN(CCNC(=O)CC1=CC=C([O-])C(Cl)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830372	1	42	-2.0	-102.83	396.46	0.58	-102.25
CN(CCNC(=O)C1=CC=C(Cl)C([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830412	0	39	-2.0	-89.09	372.08	-0.08	-89.17
CN(CCNC(=O)C1=CC=NC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024830423	1	38	-2.0	-104.10	348.91	-0.82	-104.92
CN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830433	0	35	-2.0	-92.91	333.54	-3.68	-96.59
CC1=C([O-])N=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024830466	1	38	-2.0	-94.60	365.34	-4.03	-98.63
CN(CCNC(=O)C(=O)C1=CC=C([O-])C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830582	1	41	-2.0	-91.92	376.38	-0.77	-92.69
CN(CCNC(=O)C1=CN=C(C=N[O-])S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830614	0	38	-2.0	-100.97	374.45	-2.56	-103.53
CN(CCNC(=O)C1=CC(=O)C=C(Cl)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830645	1	38	-2.0	-86.30	369.22	-0.85	-87.15
CSC1=NC=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300024830670	1	41	-2.0	-88.95	385.17	-2.13	-91.08
CN(CCNC(=O)C1=CC(=O)NC([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830677	0	39	-2.0	-88.58	361.90	-4.99	-93.57
CCN1[N-]C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024830751	0	42	-2.0	-93.18	383.35	-1.53	-94.71
CN(CCNC(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830773	0	39	-2.0	-92.41	361.62	-2.46	-94.87
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830788	0	39	-2.0	-94.26	375.78	-4.33	-98.59
CC1=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(=S)[N-]C(=O)N1	REAL300024830790	1	41	-2.0	-111.06	389.21	-3.04	-114.10
CN(CCNC(=O)C1=CC=C([O-])C(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024830964	1	39	-2.0	-93.16	362.24	-0.54	-93.70
CN(CCNC(=O)C1=CC(F)=C([O-])C(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024831023	0	39	-2.0	-93.97	368.45	-0.48	-94.45
CN(CCNC(=O)C1=CC=NC(Cl)=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024831029	0	38	-2.0	-102.32	365.09	-0.37	-102.69
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CC1=CN=C(C(=O)NCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300024831094	1	41	-2.0	-106.11	372.30	-0.07	-106.18
CN(CCNC(=O)C1=CC([O-])=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024831125	0	36	-2.0	-99.02	348.30	-1.68	-100.70
CN(CCNC(=O)C1=CN([O-])C(=O)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024831146	0	39	-2.0	-106.94	361.71	-0.09	-107.03
CC1=C(C(=O)N(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(=S)[N-]C(=O)N1	REAL300024831175	1	41	-2.0	-109.10	390.09	-2.92	-112.02
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024831381	0	37	-2.0	-90.89	349.33	-6.21	-97.10
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024831381	1	37	-2.0	-88.80	346.62	-5.06	-93.86
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300024831585	0	41	-2.0	-99.13	380.86	-3.65	-102.78
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300024831598	0	35	-2.0	-94.21	331.08	-3.80	-98.01
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300024831617	0	39	-2.0	-91.73	367.08	-2.96	-94.69
CN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300024831649	1	40	-2.0	-82.29	378.47	-2.39	-84.68
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300024832011	1	45	-2.0	-85.12	381.45	-1.61	-86.73
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300024832089	0	46	-2.0	-90.51	391.44	-1.45	-91.96
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300024832157	0	45	-2.0	-90.55	386.22	-2.06	-92.61
CC(NC(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832513	1	45	-2.0	-88.31	390.08	-2.59	-90.90
CC(NC(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832565	0	46	-2.0	-89.28	394.91	-1.60	-90.88
CC(NC(=O)C1=NC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832575	0	45	-2.0	-88.23	389.48	-2.90	-91.13
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300024832720	0	45	-2.0	-93.44	389.65	-1.12	-94.56
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300024832859	0	45	-2.0	-96.38	386.39	-1.50	-97.88
CC(C)N(CCCNC(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833500	1	44	-2.0	-88.91	388.64	-3.08	-91.99
CC(C)N(CCCNC(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833580	0	47	-2.0	-97.11	412.79	-1.68	-98.79
CC(C)N(CCCNC(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833605	0	46	-2.0	-82.10	397.69	0.07	-82.03
CC(C)N(CCCNC(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833637	0	45	-2.0	-87.79	393.47	-2.10	-89.89
CC(C)N(CCCNC(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833783	0	44	-2.0	-91.22	390.06	-3.17	-94.39
CC(C)N(CCCNC(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024833858	0	48	-2.0	-90.34	416.28	-0.39	-90.73
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC=CC=C1[O-]	REAL300024834095	1	47	-2.0	-99.08	400.75	2.18	-96.90
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300024834445	1	44	-2.0	-90.97	384.03	-1.27	-92.24
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]N=CC1=O	REAL300024834503	0	46	-2.0	-78.88	390.94	-0.26	-79.14
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300024834548	0	45	-2.0	-87.75	391.26	-1.88	-89.63
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300024834570	0	44	-2.0	-86.09	386.04	-2.54	-88.63
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300024834725	0	47	-2.0	-95.03	408.81	-1.73	-96.76
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=NC=C1[O-]	REAL300024834812	0	47	-2.0	-100.16	403.88	-0.68	-100.84
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300024834814	0	44	-2.0	-96.31	384.10	-1.83	-98.14
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300024834879	0	48	-2.0	-91.63	411.73	-0.06	-91.69
CC(C)N(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC([O-])=CS1	REAL300024834939	0	45	-2.0	-104.44	393.67	-0.23	-104.67
CC(C)N(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024835041	0	44	-2.0	-91.75	388.21	-1.61	-93.36
CCCN(C(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835344	1	45	-2.0	-90.37	387.17	0.42	-89.95
CCCN(C(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835411	0	46	-2.0	-94.75	391.60	-0.01	-94.76
CCCN(C(=O)C1=NC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024835465	0	45	-2.0	-92.48	386.53	-0.33	-92.81
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024835813	1	45	-2.0	-90.99	388.33	-0.53	-91.52
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024835865	0	46	-2.0	-91.39	393.15	-0.28	-91.67
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024835875	0	45	-2.0	-90.82	387.96	-1.12	-91.94
CCCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024836020	0	45	-2.0	-93.84	388.27	-0.08	-93.92
CCCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024836152	0	45	-2.0	-99.07	386.77	-0.13	-99.20
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CCNC(=O)C2=COC(=O)[N-]2)C1	REAL300024836841	1	42	-2.0	-88.37	381.29	-3.57	-91.94
CN1N=C(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024836925	0	45	-2.0	-96.88	403.44	-2.38	-99.26
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CCNC(=O)C2=C[N-]N=CC2=O)C1	REAL300024836953	0	44	-2.0	-81.67	390.34	-0.42	-82.09
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CCNC(=O)C2=CC(=O)N[N-]2)C1	REAL300024836987	0	43	-2.0	-89.95	386.12	-2.58	-92.53
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CCNC(=O)C2=NC(=O)N[N-]2)C1	REAL300024837148	0	42	-2.0	-88.76	380.72	-3.87	-92.63
CN1[N-]C(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024837231	0	46	-2.0	-92.81	408.93	-0.87	-93.68
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300024837479	1	45	-2.0	-108.28	394.72	1.24	-107.04
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024837942	1	42	-2.0	-90.66	377.82	-2.74	-93.40
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300024838009	0	44	-2.0	-93.05	396.71	-0.80	-93.85
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024838066	0	43	-2.0	-92.68	382.67	-2.50	-95.18
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024838098	0	42	-2.0	-91.08	377.66	-3.32	-94.40
CN1N=C(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024838301	0	45	-2.0	-99.58	400.30	-2.30	-101.88
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300024838419	0	45	-2.0	-106.72	394.98	-0.32	-107.04
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024838421	0	42	-2.0	-95.23	377.95	-2.28	-97.51
CN1[N-]C(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024838501	0	46	-2.0	-95.49	405.60	-0.77	-96.26
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)C2=CC([O-])=CS2)C1	REAL300024838585	0	43	-2.0	-103.86	389.69	-0.49	-104.35
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300024838704	0	42	-2.0	-93.66	380.86	-2.10	-95.76
CN(CC1CCN(C(=O)C2=COC(=O)[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839745	1	42	-2.0	-96.00	370.54	-1.40	-97.40
CN(CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839829	0	45	-2.0	-98.65	393.71	-1.03	-99.68
CN(CC1CCN(C(=O)C2=C[N-]N=CC2=O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839857	0	44	-2.0	-94.01	389.71	0.47	-93.54
CN(CC1CCN(C(=O)C2=CC(=O)N[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024839891	0	43	-2.0	-99.66	376.15	-1.15	-100.81
CN(CC1CCN(C(=O)C2=NC(=O)N[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024840052	0	42	-2.0	-91.13	371.06	-2.05	-93.18
CN(CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024840135	0	46	-2.0	-102.94	398.89	0.55	-102.39
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=NC=CC=C1[O-]	REAL300024840383	1	45	-2.0	-114.12	388.33	2.67	-111.45
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=COC(=O)[N-]1	REAL300024840846	1	42	-2.0	-94.16	371.27	-1.03	-95.19
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=C[N-]N=CC1=O	REAL300024840913	0	44	-2.0	-101.88	389.97	0.46	-101.42
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)N[N-]1	REAL300024840970	0	43	-2.0	-98.95	376.34	-1.00	-99.95
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=NC(=O)N[N-]1	REAL300024841002	0	42	-2.0	-91.62	373.14	-1.61	-93.23
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300024841205	0	45	-2.0	-106.93	393.59	-0.87	-107.80
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC=NC=C1[O-]	REAL300024841323	0	45	-2.0	-117.98	389.93	0.63	-117.35
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300024841325	0	42	-2.0	-103.12	371.31	-0.93	-104.05
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300024841405	0	46	-2.0	-94.39	400.80	0.73	-93.66
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC([O-])=CS1	REAL300024841489	0	43	-2.0	-113.92	383.30	0.68	-113.24
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024841608	0	42	-2.0	-94.32	371.98	-1.04	-95.36
CN(CC1CCN(C(=O)C2=COC(=O)[N-]2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024841942	1	45	-2.0	-86.70	383.08	-0.20	-86.90
CN(CC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024842020	0	46	-2.0	-87.03	388.28	-0.27	-87.30
CN(CC1CCN(C(=O)C2=NNC(=O)[N-]2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024842088	0	45	-2.0	-90.48	382.97	-1.77	-92.25
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C1=COC(=O)[N-]1	REAL300024842444	1	45	-2.0	-88.42	382.76	-0.16	-88.58
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C1=CC(=O)N[N-]1	REAL300024842496	0	46	-2.0	-92.34	387.61	-0.21	-92.55
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C1=NC(=O)N[N-]1	REAL300024842506	0	45	-2.0	-86.17	383.95	-0.96	-87.13
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300024842651	0	45	-2.0	-97.02	383.52	-0.17	-97.19
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024842790	0	45	-2.0	-95.38	383.02	-0.23	-95.61
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024843505	0	41	-2.0	-102.65	367.52	-5.30	-107.95
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024843553	0	43	-2.0	-105.08	383.43	-3.62	-108.70
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024843893	0	43	-2.0	-110.69	383.31	0.69	-110.00
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O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024843979	1	39	-2.0	-90.15	349.65	-2.86	-93.01
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O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=CC=CC([O-])=C2F)C1	REAL300024846107	1	43	-2.0	-113.64	379.16	0.50	-113.14
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=CC(=O)N[N-]2)C1	REAL300024846171	0	40	-2.0	-93.47	357.80	-3.10	-96.57
C[PH](C)([O-])C(=O)C(=O)N[C@H]1CCCN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024846176	1	45	-2.0	-96.72	396.35	-2.27	-98.99
CN1[N-]C(CC(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024846180	0	46	-2.0	-109.83	401.24	-0.75	-110.58
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024846221	0	43	-2.0	-111.93	380.80	0.97	-110.96
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=NC(=O)N[N-]2)C1	REAL300024846235	0	39	-2.0	-91.60	352.39	-4.39	-95.99
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024846239	0	43	-2.0	-99.26	377.96	1.14	-98.12
NC1=CC(=O)[N-]C(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024846311	0	43	-2.0	-104.27	381.96	-3.65	-107.92
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=CC(F)=CC=C2[O-])C1	REAL300024846335	1	43	-2.0	-107.78	379.02	2.11	-105.67
CC1=CC=NC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024846376	1	45	-2.0	-110.86	390.17	1.01	-109.85
O=C(CC1=NC([O-])=CS1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024846509	0	42	-2.0	-119.59	384.31	-3.19	-122.78
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=C([O-])C=CC=C2F)C1	REAL300024846519	1	43	-2.0	-105.45	384.48	0.37	-105.08
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=CC=C(F)C=C2[O-])C1	REAL300024846520	0	43	-2.0	-112.04	379.04	2.11	-109.93
CC1=CC(=O)C(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024846604	0	44	-2.0	-99.68	386.51	0.68	-99.00
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024846619	0	43	-2.0	-133.17	377.88	1.97	-131.20
CN1N=C(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024846661	0	42	-2.0	-100.77	375.01	-2.91	-103.68
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300024846774	1	43	-2.0	-93.98	381.00	0.49	-93.49
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O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024846819	1	41	-2.0	-89.17	371.53	-5.39	-94.56
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NC1=NC=C(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024846853	1	43	-2.0	-90.56	376.18	-2.22	-92.78
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O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024846933	0	39	-2.0	-96.34	352.54	-2.61	-98.95
CC1SC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024846948	0	42	-2.0	-95.69	384.34	-2.98	-98.67
CC1=C([O-])N=C(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024846948	1	42	-2.0	-95.69	384.34	-2.98	-98.67
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024847039	0	43	-2.0	-92.14	380.89	-3.93	-96.07
CCN1[N-]C(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024847077	0	46	-2.0	-97.46	402.35	-0.45	-97.91
CN1[N-]C(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024847093	0	43	-2.0	-96.53	380.61	-1.38	-97.91
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300024847173	1	43	-2.0	-96.29	380.96	0.53	-95.76
CC1=CN=C(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024847228	1	45	-2.0	-112.57	391.29	0.96	-111.61
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O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024847345	0	41	-2.0	-89.04	368.57	-4.60	-93.64
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O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024847444	0	39	-2.0	-97.47	349.43	-2.94	-100.41
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024848190	0	41	-2.0	-100.43	369.36	-5.18	-105.61
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848238	0	43	-2.0	-104.87	383.48	-3.50	-108.37
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024848578	0	43	-2.0	-112.40	380.43	0.99	-111.41
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024848653	0	43	-2.0	-92.12	380.90	-3.93	-96.05
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=COC(=O)[N-]2)C1	REAL300024848664	1	39	-2.0	-90.50	352.97	-4.08	-94.58
CCN1[N-]C(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024848769	0	46	-2.0	-97.43	402.34	-0.45	-97.88
CN1N=C(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024848795	0	42	-2.0	-100.84	375.12	-2.89	-103.73
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=C[N-]N=CC2=O)C1	REAL300024848847	0	41	-2.0	-84.80	362.02	-0.94	-85.74
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C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024848910	0	45	-2.0	-96.92	396.35	-2.26	-99.18
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CCCN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024848910	1	45	-2.0	-96.92	396.35	-2.26	-99.18
O=C(CCC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024848928	0	45	-2.0	-98.09	393.85	-2.90	-100.99
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024848930	0	43	-2.0	-99.23	377.96	1.15	-98.08
CC1SC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024848949	0	42	-2.0	-95.71	384.57	-2.99	-98.70
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O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024848963	0	43	-2.0	-111.95	380.81	0.97	-110.98
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024848984	0	43	-2.0	-133.09	377.88	1.97	-131.12
O=C(CC1=NC([O-])=CS1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024849085	0	42	-2.0	-116.64	384.35	-3.19	-119.83
CC1=CC(=O)C(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024849223	0	44	-2.0	-99.71	386.51	0.68	-99.03
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=NC(=O)N[N-]2)C1	REAL300024849233	0	39	-2.0	-91.53	352.39	-4.39	-95.92
CN1[N-]C(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024849399	0	43	-2.0	-96.53	380.61	-1.38	-97.91
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300024849649	1	42	-2.0	-114.77	369.40	0.16	-114.61
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024849738	0	41	-2.0	-102.38	366.47	-5.12	-107.50
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024849824	0	43	-2.0	-105.09	383.47	-3.60	-108.69
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024850608	1	39	-2.0	-90.23	349.88	-2.84	-93.07
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300024850670	1	43	-2.0	-98.79	382.50	0.14	-98.65
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300024850673	0	42	-2.0	-93.15	377.04	-0.51	-93.66
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300024850730	0	41	-2.0	-93.31	368.69	-1.37	-94.68
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300024850737	0	43	-2.0	-121.41	378.38	1.29	-120.12
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300024850792	1	43	-2.0	-114.73	378.68	0.06	-114.67
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024850856	0	40	-2.0	-94.59	354.74	-2.90	-97.49
C[PH](C)([O-])C(=O)C(=O)N1CCC[C@@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024850861	0	45	-2.0	-96.95	387.94	-2.54	-99.49
C[PH](C)([O-])C(=O)C(=O)N1CCC[C@@H](NC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024850861	1	45	-2.0	-96.95	387.94	-2.54	-99.49
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024850906	0	43	-2.0	-106.98	385.66	0.78	-106.20
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024850920	0	39	-2.0	-91.56	349.48	-3.57	-95.13
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300024850924	0	43	-2.0	-129.74	384.60	0.72	-129.02
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300024851020	0	43	-2.0	-109.85	380.65	0.93	-108.92
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300024851020	1	43	-2.0	-109.85	380.65	0.93	-108.92
CC1=CC=NC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300024851061	0	45	-2.0	-114.66	389.79	0.87	-113.79
CC1=CC=NC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024851061	1	45	-2.0	-114.66	389.79	0.87	-113.79
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300024851194	0	42	-2.0	-116.61	384.31	-3.24	-119.85
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300024851204	0	43	-2.0	-105.47	384.99	0.29	-105.18
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300024851205	0	43	-2.0	-112.85	382.25	0.45	-112.40
CC1=CC(=O)C(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024851289	0	44	-2.0	-101.49	383.62	0.77	-100.72
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024851304	0	43	-2.0	-111.74	377.19	0.81	-110.93
CN1N=C(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024851346	0	42	-2.0	-102.55	372.26	-2.75	-105.30
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300024851459	1	43	-2.0	-109.72	380.09	0.05	-109.67
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024851504	0	41	-2.0	-89.44	368.87	-4.65	-94.09
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024851504	1	41	-2.0	-89.44	368.87	-4.65	-94.09
NC1=NC=C(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N1	REAL300024851538	0	43	-2.0	-110.28	382.48	-2.77	-113.05
NC1=NC=C(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024851538	1	43	-2.0	-110.28	382.48	-2.77	-113.05
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024851618	0	39	-2.0	-97.46	349.68	-2.84	-100.30
CC1SC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024851633	0	42	-2.0	-95.13	381.51	-2.13	-97.26
CC1=C([O-])N=C(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024851633	1	42	-2.0	-95.13	381.51	-2.13	-97.26
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024851724	0	43	-2.0	-101.12	385.10	-4.18	-105.30
CCN1[N-]C(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024851762	0	46	-2.0	-98.69	399.27	-0.26	-98.95
CN1[N-]C(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024851778	0	43	-2.0	-97.39	377.09	-1.24	-98.63
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC=C(O)C(F)=C2)C1	REAL300024851858	0	43	-2.0	-100.13	380.08	0.09	-100.04
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300024851858	1	43	-2.0	-100.13	380.08	0.09	-100.04
CC1=CN=C(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C(O)=C1	REAL300024851913	0	45	-2.0	-115.20	388.31	1.36	-113.84
CC1=CN=C(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024851913	1	45	-2.0	-115.20	388.31	1.36	-113.84
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC([O-])=CS2)C1	REAL300024851925	0	40	-2.0	-106.60	364.13	-1.10	-107.70
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024851936	0	43	-2.0	-112.33	379.33	0.53	-111.80
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024852030	0	41	-2.0	-92.05	370.92	-6.15	-98.20
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024852030	1	41	-2.0	-89.23	371.57	-5.40	-94.63
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024852129	0	39	-2.0	-96.37	352.53	-2.61	-98.98
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024852875	0	41	-2.0	-100.40	369.36	-5.18	-105.58
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024852923	0	43	-2.0	-104.82	383.47	-3.50	-108.32
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024853263	0	43	-2.0	-112.41	380.44	0.99	-111.42
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024853338	0	43	-2.0	-92.14	380.89	-3.93	-96.07
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=COC(=O)[N-]2)C1	REAL300024853349	1	39	-2.0	-90.42	352.97	-4.08	-94.50
CCN1[N-]C(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024853454	0	46	-2.0	-97.46	402.35	-0.45	-97.91
CN1N=C(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024853480	0	42	-2.0	-100.77	375.01	-2.91	-103.68
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=C[N-]N=CC2=O)C1	REAL300024853532	0	41	-2.0	-84.79	362.02	-0.93	-85.72
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=CC(=O)N[N-]2)C1	REAL300024853590	0	40	-2.0	-93.47	357.80	-3.10	-96.57
C[PH](C)([O-])C(=O)C(=O)N[C@H]1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024853595	0	45	-2.0	-96.72	396.35	-2.27	-98.99
C[PH](C)([O-])C(=O)C(=O)N[C@H]1CCCN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024853595	1	45	-2.0	-96.72	396.35	-2.27	-98.99
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024853615	0	43	-2.0	-99.26	377.96	1.14	-98.12
CC1SC(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024853634	0	42	-2.0	-95.69	384.34	-2.98	-98.67
CC1=C([O-])N=C(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024853634	1	42	-2.0	-95.69	384.34	-2.98	-98.67
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024853648	0	43	-2.0	-111.93	380.80	0.97	-110.96
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024853669	0	43	-2.0	-133.17	377.88	1.97	-131.20
O=C(CC1=NC([O-])=CS1)N[C@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024853770	0	42	-2.0	-119.59	384.31	-3.19	-122.78
CC1=CC(=O)C(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024853908	0	44	-2.0	-99.68	386.51	0.68	-99.00
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=NC(=O)N[N-]2)C1	REAL300024853918	0	39	-2.0	-91.60	352.39	-4.39	-95.99
CN1[N-]C(C(=O)N[C@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024854084	0	43	-2.0	-96.53	380.61	-1.38	-97.91
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300024854334	1	42	-2.0	-114.75	369.43	0.17	-114.58
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024854423	0	41	-2.0	-102.65	367.52	-5.30	-107.95
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024854509	0	43	-2.0	-105.08	383.43	-3.62	-108.70
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024855293	1	39	-2.0	-90.15	349.65	-2.86	-93.01
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300024855355	1	43	-2.0	-104.90	378.55	0.05	-104.85
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300024855358	0	42	-2.0	-93.43	377.20	-0.49	-93.92
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300024855415	0	41	-2.0	-89.05	363.71	-1.49	-90.54
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300024855422	0	43	-2.0	-120.77	380.98	0.44	-120.33
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300024855477	1	43	-2.0	-113.72	381.26	0.10	-113.62
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024855541	0	40	-2.0	-94.29	354.50	-2.94	-97.23
C[PH](C)([O-])C(=O)C(=O)N1CCC[C@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024855546	0	45	-2.0	-96.77	388.20	-2.47	-99.24
C[PH](C)([O-])C(=O)C(=O)N1CCC[C@H](NC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024855546	1	45	-2.0	-96.77	388.20	-2.47	-99.24
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024855591	0	43	-2.0	-106.99	385.62	0.76	-106.23
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024855605	0	39	-2.0	-91.32	349.25	-3.55	-94.87
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300024855609	0	43	-2.0	-111.97	378.50	0.53	-111.44
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300024855705	0	43	-2.0	-106.21	381.22	0.40	-105.81
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300024855705	1	43	-2.0	-106.21	381.22	0.40	-105.81
CC1=CC=NC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300024855746	0	45	-2.0	-105.27	387.21	1.40	-103.87
CC1=CC=NC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024855746	1	45	-2.0	-105.27	387.21	1.40	-103.87
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300024855879	0	42	-2.0	-119.74	384.28	-3.25	-122.99
CC1=CC(=O)C(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024855974	0	44	-2.0	-102.20	384.67	0.56	-101.64
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024855989	0	43	-2.0	-103.26	377.65	0.85	-102.41
CN1N=C(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024856031	0	42	-2.0	-102.02	371.95	-2.76	-104.78
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300024856144	0	43	-2.0	-109.25	380.95	0.07	-109.18
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300024856144	1	43	-2.0	-109.25	380.95	0.07	-109.18
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024856189	0	41	-2.0	-89.04	368.57	-4.60	-93.64
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024856189	1	41	-2.0	-89.04	368.57	-4.60	-93.64
NC1=NC=C(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N1	REAL300024856223	0	43	-2.0	-99.79	377.00	-2.82	-102.61
NC1=NC=C(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024856223	1	43	-2.0	-99.79	377.00	-2.82	-102.61
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024856303	0	39	-2.0	-97.47	349.43	-2.94	-100.41
CC1SC(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024856318	0	42	-2.0	-95.10	381.49	-2.15	-97.25
CC1=C([O-])N=C(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024856318	1	42	-2.0	-95.10	381.49	-2.15	-97.25
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024856409	0	43	-2.0	-92.46	385.73	-4.15	-96.61
CCN1[N-]C(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024856447	0	46	-2.0	-98.37	399.04	-0.30	-98.67
CN1[N-]C(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024856463	0	43	-2.0	-97.40	377.32	-1.23	-98.63
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=CC=C(O)C(F)=C2)C1	REAL300024856543	0	43	-2.0	-99.92	380.92	0.09	-99.83
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300024856543	1	43	-2.0	-99.92	380.92	0.09	-99.83
CC1=CN=C(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C(O)=C1	REAL300024856598	0	45	-2.0	-109.22	390.84	0.78	-108.44
CC1=CN=C(C(=O)N2CCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024856598	1	45	-2.0	-109.22	390.84	0.78	-108.44
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=CC([O-])=CS2)C1	REAL300024856610	0	40	-2.0	-106.02	364.99	-1.04	-107.06
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024856621	0	43	-2.0	-110.69	383.31	0.69	-110.00
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024856715	0	41	-2.0	-92.08	370.92	-6.15	-98.23
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024856715	1	41	-2.0	-89.17	371.53	-5.39	-94.56
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024856814	0	39	-2.0	-96.34	352.54	-2.61	-98.95
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300024857303	1	42	-2.0	-83.53	384.54	-1.51	-85.04
O=C(CCCN1C(=O)[N-]NC1=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024857924	0	43	-2.0	-93.82	396.46	-3.82	-97.64
O=C(CCC1=NNC(=O)[N-]C1=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858131	0	41	-2.0	-92.29	384.19	-6.63	-98.92
CC(=O)[N-]C1=NC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CS1	REAL300024858132	1	39	-2.0	-81.58	378.38	-3.06	-84.64
O=C(CCN1C=C[N-]C(=O)C1=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858283	1	42	-2.0	-97.35	389.90	-2.41	-99.76
COC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)NC(=O)[N-]C1=O	REAL300024858389	1	40	-2.0	-90.78	373.58	-5.39	-96.17
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024858498	0	35	-2.0	-90.93	339.86	-6.76	-97.69
O=C(CN1C(=O)[N-]NC1=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024858614	0	37	-2.0	-91.84	353.98	-5.11	-96.95
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(=O)N[N-]2)C1	REAL300024860160	0	34	-2.0	-89.24	328.33	-4.71	-93.95
C[PH](C)([O-])C(=O)C(=O)NC1CN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024860165	1	39	-2.0	-92.13	366.81	-3.78	-95.91
CN1[N-]C(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024860168	0	40	-2.0	-97.04	371.83	-2.35	-99.39
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024860213	0	37	-2.0	-107.78	348.51	-0.47	-108.25
CSC1=NC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024860232	1	39	-2.0	-82.92	374.70	-2.59	-85.51
CC1=C([O-])N=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024860256	1	36	-2.0	-90.81	354.85	-4.57	-95.38
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300024860274	1	36	-2.0	-82.03	358.46	-1.40	-83.43
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024860296	0	37	-2.0	-104.89	351.27	-0.55	-105.44
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024860355	0	37	-2.0	-113.12	348.41	0.37	-112.75
O=C(C[N-]C(=O)C(F)(F)F)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860523	0	36	-2.0	-85.38	358.38	-4.73	-90.11
NC1=NC([O-])=C(CC(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024860524	0	38	-2.0	-105.07	369.59	-5.57	-110.64
O=C(CC1=NC([O-])=CS1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860583	0	36	-2.0	-106.02	354.84	-4.79	-110.81
O=C(CN1N=CC(=O)[N-]C1=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024860620	0	38	-2.0	-98.18	364.27	-6.13	-104.31
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C(Cl)C(=O)[N-]S2)C1	REAL300024860696	0	33	-2.0	-86.94	345.82	-3.32	-90.26
COCC1=NC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N1	REAL300024860802	0	42	-2.0	-92.54	386.34	-3.95	-96.49
COCC1=NC=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024860802	1	42	-2.0	-92.54	386.34	-3.95	-96.49
CC1=CC(=O)C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024860901	0	38	-2.0	-88.48	357.02	-0.91	-89.39
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NNC(=O)[N-]2)C1	REAL300024860920	0	33	-2.0	-88.95	322.79	-6.16	-95.11
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C1	REAL300024860945	0	38	-2.0	-86.22	365.49	-1.66	-87.88
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1	REAL300024860945	1	38	-2.0	-86.22	365.49	-1.66	-87.88
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN=C(C=N[O-])S2)C1	REAL300024861080	0	36	-2.0	-101.33	363.70	-3.12	-104.45
CN1[N-]C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024861313	0	37	-2.0	-87.68	351.12	-2.99	-90.67
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300024861569	1	36	-2.0	-99.96	337.78	-1.09	-101.05
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1	REAL300024861686	1	42	-2.0	-95.81	389.95	-2.42	-98.23
CC(=O)[N-]C1=NC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CS1	REAL300024861698	1	39	-2.0	-86.80	376.03	-2.99	-89.79
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024861729	0	35	-2.0	-93.61	337.38	-6.74	-100.35
COC1=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)NC(=O)[N-]C1=O	REAL300024861781	1	40	-2.0	-94.98	369.41	-5.54	-100.52
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024861947	0	37	-2.0	-93.58	353.98	-5.04	-98.62
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CCCN2C(=O)[N-]NC2=O)C1	REAL300024862905	0	43	-2.0	-92.72	396.45	-3.84	-96.56
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300024863106	1	42	-2.0	-100.55	390.55	-1.91	-102.46
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)C1	REAL300024863935	0	41	-2.0	-91.15	384.15	-6.56	-97.71
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1	REAL300024863945	0	39	-2.0	-93.94	367.14	0.19	-93.75
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300024863959	1	37	-2.0	-98.11	358.80	0.37	-97.74
N#CC1=CC([O-])=CC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024863990	1	38	-2.0	-88.04	361.86	-1.21	-89.25
NC1=CC=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1Cl	REAL300024864015	0	39	-2.0	-103.08	369.60	-1.48	-104.56
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1	REAL300024864077	0	39	-2.0	-106.01	367.12	1.33	-104.68
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024864131	1	33	-2.0	-90.85	321.08	-5.15	-96.00
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1	REAL300024864208	0	39	-2.0	-105.31	370.24	0.04	-105.27
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300024864226	0	36	-2.0	-87.97	358.38	-4.75	-92.72
NC1=NC([O-])=C(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024864227	0	38	-2.0	-108.29	369.64	-5.66	-113.95
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300024864238	0	37	-2.0	-87.89	361.55	-1.24	-89.13
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300024864259	1	37	-2.0	-92.47	347.81	-1.43	-93.90
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300024864267	0	36	-2.0	-90.49	345.98	-2.04	-92.53
N#CC1=CC=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C=C1[O-]	REAL300024864277	1	38	-2.0	-96.71	361.33	-1.21	-97.92
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300024864281	0	36	-2.0	-93.99	350.64	-1.37	-95.36
N#CC1=CC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C(N)[N-]C1=O	REAL300024864288	0	39	-2.0	-89.25	376.73	-4.17	-93.42
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300024864305	0	38	-2.0	-96.27	364.28	-6.16	-102.43
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300024864413	0	35	-2.0	-90.71	329.26	-1.87	-92.58
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300024864426	0	37	-2.0	-105.75	347.31	0.10	-105.65
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300024864548	1	37	-2.0	-103.12	347.61	-1.41	-104.53
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1	REAL300024864627	0	39	-2.0	-92.38	367.18	0.17	-92.21
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024864692	0	34	-2.0	-89.38	326.12	-4.68	-94.06
C[PH](C)([O-])C(=O)C(=O)N1CC(NC(=O)CSC2=NC(=O)NN2)C1	REAL300024864700	0	39	-2.0	-96.25	364.73	-3.96	-100.21
C[PH](C)([O-])C(=O)C(=O)N1CC(NC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024864700	1	39	-2.0	-96.25	364.73	-3.96	-100.21
COCC1=NC=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N1	REAL300024864764	0	42	-2.0	-98.71	392.65	-4.33	-103.04
COCC1=NC=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024864764	1	42	-2.0	-98.71	392.65	-4.33	-103.04
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024864823	0	37	-2.0	-104.50	346.97	-1.01	-105.51
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=NNC(=O)[N-]2)C1	REAL300024864858	0	33	-2.0	-93.09	320.74	-6.14	-99.23
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=C(O)C=CC=C2Cl)C1	REAL300024864863	0	37	-2.0	-99.26	364.50	-0.86	-100.12
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300024864863	1	37	-2.0	-99.26	364.50	-0.86	-100.12
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300024864871	0	37	-2.0	-108.89	354.88	-0.72	-109.61
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300024864905	0	37	-2.0	-97.17	361.41	-1.25	-98.42
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300024864905	1	37	-2.0	-97.17	361.41	-1.25	-98.42
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300024865095	0	37	-2.0	-97.60	348.49	-0.07	-97.67
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300024865095	1	37	-2.0	-97.60	348.49	-0.07	-97.67
CC1=CC=NC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024865185	1	39	-2.0	-100.51	357.92	-0.30	-100.81
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300024865367	0	37	-2.0	-121.11	355.27	1.06	-120.05
NC1=CC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC([O-])=C1Cl	REAL300024865521	1	39	-2.0	-92.45	369.89	-3.14	-95.59
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300024865526	0	36	-2.0	-86.87	356.06	-2.29	-89.16
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300024865588	1	37	-2.0	-91.24	355.98	-0.98	-92.22
N#CC1=CC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C([O-])C=C1N	REAL300024865591	0	40	-2.0	-96.67	374.79	-1.68	-98.35
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300024865603	0	36	-2.0	-104.98	354.77	-4.70	-109.68
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300024865624	0	37	-2.0	-99.97	355.01	-1.24	-101.21
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300024865627	0	39	-2.0	-94.64	370.04	-4.07	-98.71
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300024865629	0	37	-2.0	-100.01	347.55	0.10	-99.91
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024865676	0	40	-2.0	-99.61	374.38	-0.59	-100.20
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300024865764	0	37	-2.0	-87.31	362.47	-5.48	-92.79
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300024865796	0	37	-2.0	-94.11	353.83	-1.35	-95.46
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1	REAL300024865799	1	38	-2.0	-85.55	371.15	-2.73	-88.28
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300024865805	0	37	-2.0	-100.58	357.11	0.56	-100.02
CC1=CC(=O)C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024865841	0	38	-2.0	-92.56	354.58	-0.87	-93.43
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C1	REAL300024865847	0	42	-2.0	-103.47	386.51	-1.05	-104.52
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024865877	0	37	-2.0	-118.64	344.15	0.02	-118.62
N#CC1=CC=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024865919	0	37	-2.0	-95.13	364.65	-3.08	-98.21
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C1	REAL300024865920	0	39	-2.0	-94.53	375.20	-8.45	-102.98
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C1	REAL300024865920	1	39	-2.0	-87.84	375.09	-8.40	-96.24
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1	REAL300024865949	0	39	-2.0	-87.66	371.49	0.15	-87.51
CN1N=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024865993	0	36	-2.0	-95.84	343.59	-4.48	-100.32
[N-]=[N+]=NC1=CC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC=C1[O-]	REAL300024866026	0	39	-2.0	-90.13	368.91	-3.79	-93.92
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300024866068	0	38	-2.0	-100.38	365.68	-3.08	-103.46
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300024866068	1	38	-2.0	-100.38	365.68	-3.08	-103.46
N#CC1=CC=C([O-])C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024866078	0	38	-2.0	-94.89	362.92	0.26	-94.63
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300024866203	0	37	-2.0	-93.00	360.06	-3.39	-96.39
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300024866268	1	37	-2.0	-94.78	347.19	-1.52	-96.30
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1	REAL300024866279	0	39	-2.0	-96.71	369.31	0.70	-96.01
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1	REAL300024866282	0	39	-2.0	-91.07	369.49	0.63	-90.44
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300024866295	1	37	-2.0	-99.89	357.87	0.55	-99.34
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1	REAL300024866316	0	39	-2.0	-87.30	369.23	-0.93	-88.23
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024866393	0	35	-2.0	-87.23	339.43	-6.56	-93.79
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024866393	1	35	-2.0	-87.23	339.43	-6.56	-93.79
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1	REAL300024866427	0	39	-2.0	-96.23	363.18	-2.52	-98.75
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1	REAL300024866468	0	33	-2.0	-91.05	341.95	-3.66	-94.71
NC1=NC=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N1	REAL300024866491	0	37	-2.0	-95.09	353.03	-4.17	-99.26
NC1=NC=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024866491	1	37	-2.0	-95.09	353.03	-4.17	-99.26
CC1=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C(=O)C(C#N)=C1	REAL300024866522	0	40	-2.0	-88.37	375.56	-1.61	-89.98
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C1	REAL300024866602	0	38	-2.0	-88.82	361.08	-2.07	-90.89
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1	REAL300024866602	1	38	-2.0	-88.82	361.08	-2.07	-90.89
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1	REAL300024866610	0	39	-2.0	-92.41	369.55	-2.76	-95.17
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300024866623	0	36	-2.0	-96.63	353.79	-0.47	-97.10
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CC2=CC=C(O)C(Cl)=C2)C1	REAL300024866629	0	40	-2.0	-97.65	385.97	0.04	-97.61
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C1	REAL300024866629	1	40	-2.0	-97.65	385.97	0.04	-97.61
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024866691	0	33	-2.0	-94.23	321.15	-4.34	-98.57
CC1SC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024866725	0	36	-2.0	-97.44	352.98	-4.31	-101.75
CC1=C([O-])N=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024866725	1	36	-2.0	-97.44	352.98	-4.31	-101.75
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=C(O)C3=CC=CC=C3C=C2)C1	REAL300024866792	0	43	-2.0	-105.76	386.01	2.35	-103.41
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1	REAL300024866792	1	43	-2.0	-105.76	386.01	2.35	-103.41
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC3=CC=CC=C3C=C2O)C1	REAL300024866800	0	43	-2.0	-108.58	387.14	2.31	-106.27
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1	REAL300024866800	1	43	-2.0	-108.58	387.14	2.31	-106.27
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C(=O)C2=CC=C(O)C=C2)C1	REAL300024866847	0	39	-2.0	-90.51	363.61	-1.40	-91.91
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300024866847	1	39	-2.0	-90.51	363.61	-1.40	-91.91
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300024866881	0	36	-2.0	-100.93	359.38	-3.34	-104.27
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC(=O)C=C(Cl)N2)C1	REAL300024866914	0	36	-2.0	-85.66	355.61	-1.17	-86.83
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300024866914	1	36	-2.0	-85.66	355.61	-1.17	-86.83
CSC1=NC=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N1	REAL300024866939	0	39	-2.0	-95.35	380.97	-3.00	-98.35
CSC1=NC=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024866939	1	39	-2.0	-95.35	380.97	-3.00	-98.35
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024866946	0	37	-2.0	-88.44	347.07	-5.91	-94.35
CCN1[N-]C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024867026	0	40	-2.0	-92.31	370.51	-1.96	-94.27
CN1[N-]C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024867048	0	37	-2.0	-91.59	348.70	-2.89	-94.48
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867065	0	37	-2.0	-92.61	365.29	-4.78	-97.39
CC1=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=S)NC(=O)N1	REAL300024867067	0	39	-2.0	-107.36	378.66	-3.52	-110.88
CC1=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=S)[N-]C(=O)N1	REAL300024867067	1	39	-2.0	-107.36	378.66	-3.52	-110.88
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300024867246	1	37	-2.0	-94.11	347.16	-1.48	-95.59
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300024867307	0	37	-2.0	-93.35	353.41	-1.41	-94.76
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300024867313	0	36	-2.0	-97.77	350.47	-1.34	-99.11
CC1=C(CC(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N(C)[N-]1	REAL300024867333	0	43	-2.0	-99.25	391.85	-1.59	-100.84
CC1=CN=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024867381	1	39	-2.0	-101.42	359.23	-0.46	-101.88
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1	REAL300024867395	0	38	-2.0	-93.83	375.50	-3.53	-97.36
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC([O-])=CS2)C1	REAL300024867415	0	34	-2.0	-98.16	333.16	-2.48	-100.64
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024867437	0	37	-2.0	-103.57	346.60	-1.01	-104.58
CC1=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=S)[N-]C(=O)N1	REAL300024867471	1	39	-2.0	-98.78	378.70	-3.58	-102.36
O=C(CSC1=NNC(=O)[N-]1)N1CC([N-]C(=O)C(F)(F)C(F)F)C1	REAL300024867604	1	32	-2.0	-82.96	324.99	-2.44	-85.40
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024867684	0	35	-2.0	-88.30	341.39	-7.67	-95.97
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024867684	1	35	-2.0	-82.05	342.07	-6.99	-89.04
O=C(COC1=NC(=O)[N-]C(=O)N1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867756	0	39	-2.0	-94.91	375.20	-8.48	-103.39
O=C(COC1=NC(=O)NC(=O)[N-]1)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867756	1	39	-2.0	-88.00	375.14	-8.43	-96.43
O=C(CN1[N-]C(=O)C=CC1=O)NC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024867892	0	39	-2.0	-93.83	370.04	-4.04	-97.87
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024867906	0	33	-2.0	-89.79	323.00	-4.14	-93.93
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300024867925	0	37	-2.0	-90.80	353.75	-3.00	-93.80
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1	REAL300024867959	1	38	-2.0	-83.34	364.80	-2.37	-85.71
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024869150	0	38	-2.0	-91.98	361.17	-6.05	-98.03
O=C(CN1C(=O)[N-]NC1=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024869234	0	40	-2.0	-93.43	375.30	-4.39	-97.82
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024869820	0	40	-2.0	-105.33	372.25	0.08	-105.25
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024869934	0	40	-2.0	-87.53	372.72	-4.81	-92.34
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2=COC(=O)[N-]2)C1	REAL300024869945	1	36	-2.0	-87.97	344.79	-4.97	-92.94
O=C(CSC1=NNC(=O)[N-]1)N1CC(C[N-]C(=O)C(F)(F)C(F)(F)F)C1	REAL300024870034	1	35	-2.0	-78.40	350.87	-1.74	-80.14
CCN1[N-]C(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024870114	0	43	-2.0	-90.27	394.16	-1.35	-91.62
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2=CC=CC(=S)N2[O-])C1	REAL300024870136	0	40	-2.0	-121.80	380.81	2.13	-119.67
CN1N=C(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024870160	0	39	-2.0	-93.39	366.86	-3.78	-97.17
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2=C[N-]N=CC2=O)C1	REAL300024870248	0	38	-2.0	-79.36	353.84	-1.83	-81.19
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300024870343	0	37	-2.0	-87.13	349.61	-3.99	-91.12
C[PH](C)([O-])C(=O)C(=O)NCC1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024870348	0	42	-2.0	-91.12	388.10	-3.15	-94.27
C[PH](C)([O-])C(=O)C(=O)NCC1CN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024870348	1	42	-2.0	-91.12	388.10	-3.15	-94.27
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024870378	0	40	-2.0	-98.87	369.84	0.25	-98.62
CC1SC(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024870406	0	39	-2.0	-94.88	376.15	-3.85	-98.73
CC1=C([O-])N=C(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024870406	1	39	-2.0	-94.88	376.15	-3.85	-98.73
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2=CC(=O)C=C(Cl)N2)C1	REAL300024870419	0	39	-2.0	-83.94	379.77	-0.68	-84.62
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300024870419	1	39	-2.0	-83.94	379.77	-0.68	-84.62
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024870436	0	40	-2.0	-105.82	372.61	-0.02	-105.84
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024870469	0	40	-2.0	-117.95	369.70	1.09	-116.86
NC1=NC([O-])=C(CC(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024870590	0	41	-2.0	-104.64	390.95	-4.93	-109.57
O=C(CC1=NC([O-])=CS1)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024870634	0	39	-2.0	-107.40	376.11	-4.17	-111.57
CC1=CC(=O)C(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024870863	0	41	-2.0	-89.86	378.33	-0.19	-90.05
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2=NNC(=O)[N-]2)C1	REAL300024870878	0	36	-2.0	-90.57	344.08	-5.56	-96.13
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2=CN=C(C=N[O-])S2)C1	REAL300024870986	0	39	-2.0	-101.30	384.99	-2.40	-103.70
CN1[N-]C(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024871142	0	40	-2.0	-89.63	372.43	-2.28	-91.91
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300024871394	1	39	-2.0	-101.19	359.05	-0.47	-101.66
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024871515	0	38	-2.0	-93.86	358.65	-6.13	-99.99
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024871674	0	40	-2.0	-94.75	375.28	-4.49	-99.24
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300024872980	1	40	-2.0	-97.83	380.08	0.98	-96.85
N#CC1=CC([O-])=CC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024873005	1	41	-2.0	-87.71	383.22	-0.57	-88.28
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024873104	1	36	-2.0	-89.87	342.41	-4.52	-94.39
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300024873170	0	39	-2.0	-88.67	379.74	-4.12	-92.79
NC1=NC([O-])=C(CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024873171	0	41	-2.0	-106.96	390.93	-5.04	-112.00
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300024873180	0	40	-2.0	-87.92	382.85	-0.62	-88.54
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300024873193	1	40	-2.0	-92.95	369.17	-0.79	-93.74
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300024873199	0	39	-2.0	-90.33	367.34	-1.42	-91.75
N#CC1=CC=C(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C=C1[O-]	REAL300024873205	1	41	-2.0	-96.97	382.12	-0.60	-97.57
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300024873208	0	39	-2.0	-94.95	371.91	-0.76	-95.71
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300024873224	0	41	-2.0	-99.18	385.63	-5.53	-104.71
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300024873302	0	38	-2.0	-91.51	350.62	-1.24	-92.75
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300024873311	0	40	-2.0	-105.98	368.63	0.72	-105.26
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300024873397	1	40	-2.0	-103.52	368.93	-0.79	-104.31
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024873495	0	37	-2.0	-89.10	347.40	-4.07	-93.17
C[PH](C)([O-])C(=O)C(=O)N1CC(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300024873501	0	42	-2.0	-93.80	380.38	-3.35	-97.15
C[PH](C)([O-])C(=O)C(=O)N1CC(CNC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024873501	1	42	-2.0	-93.80	380.38	-3.35	-97.15
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024873587	0	40	-2.0	-106.02	368.30	-0.39	-106.41
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024873611	0	36	-2.0	-89.78	342.12	-5.09	-94.87
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=C(O)C=CC=C2Cl)C1	REAL300024873613	0	40	-2.0	-97.04	385.77	-0.25	-97.29
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300024873613	1	40	-2.0	-97.04	385.77	-0.25	-97.29
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300024873617	0	40	-2.0	-113.52	376.24	-0.08	-113.60
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300024873646	0	40	-2.0	-94.64	382.65	-0.65	-95.29
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300024873646	1	40	-2.0	-94.64	382.65	-0.65	-95.29
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300024873781	0	40	-2.0	-97.28	369.76	0.54	-96.74
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300024873781	1	40	-2.0	-97.28	369.76	0.54	-96.74
CC1=CC=NC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300024873844	0	42	-2.0	-101.09	379.25	0.33	-100.76
CC1=CC=NC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024873844	1	42	-2.0	-101.09	379.25	0.33	-100.76
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300024873958	0	40	-2.0	-123.28	376.59	1.69	-121.59
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300024874062	0	39	-2.0	-86.36	377.35	-1.68	-88.04
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC=C(O)C=C2Cl)C1	REAL300024874099	0	40	-2.0	-91.53	377.34	-0.34	-91.87
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300024874099	1	40	-2.0	-91.53	377.34	-0.34	-91.87
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300024874110	0	39	-2.0	-107.80	376.13	-4.07	-111.87
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300024874127	0	42	-2.0	-95.72	391.40	-3.42	-99.14
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024874158	0	43	-2.0	-101.97	395.71	-0.07	-102.04
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300024874244	0	40	-2.0	-94.43	375.29	-0.80	-95.23
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300024874250	0	40	-2.0	-100.73	378.44	1.20	-99.53
CC1=CC(=O)C(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024874278	0	41	-2.0	-92.90	375.84	-0.26	-93.16
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024874303	0	40	-2.0	-120.48	365.47	0.65	-119.83
N#CC1=CC=C(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024874327	0	40	-2.0	-93.57	385.95	-2.37	-95.94
CN1N=C(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024874371	0	39	-2.0	-95.74	364.64	-3.75	-99.49
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300024874418	0	41	-2.0	-97.79	387.00	-2.47	-100.26
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300024874418	1	41	-2.0	-97.79	387.00	-2.47	-100.26
N#CC1=CC=C([O-])C(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024874427	0	41	-2.0	-95.07	383.26	1.07	-94.00
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300024874509	0	40	-2.0	-94.47	371.78	-1.65	-96.12
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300024874560	0	40	-2.0	-94.43	368.52	-0.89	-95.32
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300024874560	1	40	-2.0	-94.43	368.52	-0.89	-95.32
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC=C(Cl)C=C2O)C1	REAL300024874578	0	40	-2.0	-100.13	379.23	1.19	-98.94
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300024874578	1	40	-2.0	-100.13	379.23	1.19	-98.94
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024874643	0	38	-2.0	-92.48	360.06	-6.68	-99.16
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024874643	1	38	-2.0	-86.46	360.73	-5.93	-92.39
NC1=NC=C(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024874697	1	40	-2.0	-97.79	374.39	-3.54	-101.33
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300024874730	0	40	-2.0	-102.93	375.26	-0.82	-103.75
COC1=NC(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC(=O)[N-]1	REAL300024874772	0	42	-2.0	-93.32	386.52	-5.80	-99.12
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300024874781	0	39	-2.0	-97.36	375.12	0.16	-97.20
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300024874819	0	40	-2.0	-90.68	378.32	-0.41	-91.09
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300024874827	0	39	-2.0	-101.00	355.50	-1.09	-102.09
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024874833	0	36	-2.0	-93.74	342.34	-3.64	-97.38
CC1=C([O-])N=C(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024874855	1	39	-2.0	-96.31	374.26	-3.69	-100.00
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300024874946	1	42	-2.0	-90.72	384.90	-0.78	-91.50
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300024874963	0	39	-2.0	-102.14	380.87	-2.78	-104.92
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300024874983	1	39	-2.0	-85.67	377.06	-0.65	-86.32
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024875003	0	40	-2.0	-88.86	368.40	-5.29	-94.15
CCN1[N-]C(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024875059	0	43	-2.0	-92.45	391.87	-1.33	-93.78
CN1[N-]C(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024875077	0	40	-2.0	-91.78	370.06	-2.26	-94.04
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300024875213	1	40	-2.0	-95.16	368.49	-0.85	-96.01
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300024875256	0	40	-2.0	-94.23	374.77	-0.77	-95.00
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300024875261	0	39	-2.0	-98.99	371.22	-0.73	-99.72
CC1=C(CC(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N(C)[N-]1	REAL300024875276	0	46	-2.0	-98.57	413.15	-0.96	-99.53
CC1=CN=C(C(=O)N2CC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024875311	1	42	-2.0	-102.57	380.49	0.16	-102.41
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC([O-])=CS2)C1	REAL300024875331	0	37	-2.0	-99.57	354.48	-1.83	-101.40
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024875347	0	40	-2.0	-105.20	367.94	-0.38	-105.58
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024875509	0	38	-2.0	-91.87	362.74	-7.04	-98.91
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024875509	1	38	-2.0	-84.74	363.40	-6.27	-91.01
O=C(CN1[N-]C(=O)C=CC1=O)NCC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024875647	0	42	-2.0	-94.32	391.40	-3.40	-97.72
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300024875654	0	36	-2.0	-92.32	344.36	-3.51	-95.83
O=C(CSC1=NNC(=O)[N-]1)N1CC(CNC(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300024875665	0	40	-2.0	-87.85	375.10	-2.28	-90.13
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NNC(=O)[N-]C1=O	REAL300024876465	0	39	-2.0	-93.64	356.93	-3.89	-97.53
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)[N-]NC1=O	REAL300024876515	0	41	-2.0	-95.43	374.01	-2.30	-97.73
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CN([O-])C(=O)C=C1	REAL300024876881	0	41	-2.0	-99.94	375.67	2.01	-97.93
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)NC([O-])=C1	REAL300024876956	0	41	-2.0	-89.77	375.70	-2.88	-92.65
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=COC(=O)[N-]1	REAL300024876967	1	37	-2.0	-92.12	340.64	-2.11	-94.23
CCN1[N-]C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024877076	0	44	-2.0	-93.40	390.02	0.87	-92.53
CN1N=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024877104	0	40	-2.0	-96.37	362.89	-1.61	-97.98
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=C[N-]N=CC1=O	REAL300024877158	0	39	-2.0	-92.33	358.70	-0.10	-92.43
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)N[N-]1	REAL300024877221	0	38	-2.0	-90.10	345.40	-1.77	-91.87
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NC(=O)[N-]N1	REAL300024877226	1	43	-2.0	-94.51	378.81	-1.13	-95.64
CN1[N-]C(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024877228	0	44	-2.0	-99.13	391.81	0.48	-98.65
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=CN([O-])C1=O	REAL300024877248	0	41	-2.0	-120.59	374.94	2.04	-118.55
CC1=C([O-])N=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024877268	1	40	-2.0	-99.31	372.57	-1.28	-100.59
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)N([O-])C=C1	REAL300024877284	0	41	-2.0	-102.09	375.80	2.04	-100.05
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=CC(=O)N1[O-]	REAL300024877308	0	41	-2.0	-122.52	374.97	1.81	-120.71
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)CC1=NC([O-])=CS1	REAL300024877417	0	40	-2.0	-109.11	374.85	-1.97	-111.08
CC1=CC(=O)C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024877565	0	42	-2.0	-93.64	373.83	2.03	-91.61
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NC(=O)N[N-]1	REAL300024877575	0	37	-2.0	-91.56	340.38	-2.70	-94.26
CN1[N-]C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024877748	0	41	-2.0	-92.72	368.21	-0.06	-92.78
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NC=CC=C1[O-]	REAL300024877998	1	40	-2.0	-101.02	357.04	1.90	-99.12
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NNC(=O)[N-]C1=O	REAL300024878091	0	39	-2.0	-93.64	356.93	-3.89	-97.53
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)CN1C(=O)[N-]NC1=O	REAL300024878181	0	41	-2.0	-95.43	374.01	-2.30	-97.73
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=COC(=O)[N-]1	REAL300024879025	1	37	-2.0	-92.12	340.64	-2.11	-94.23
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=C([O-])C=C1F	REAL300024879092	1	41	-2.0	-91.03	368.88	1.35	-89.68
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC([O-])=CC(=O)O1	REAL300024879095	0	40	-2.0	-91.46	365.39	0.71	-90.75
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=C[N-]N=CC1=O	REAL300024879155	0	39	-2.0	-92.33	358.70	-0.10	-92.43
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=CC(F)=C1[O-]	REAL300024879162	0	41	-2.0	-100.62	368.63	2.35	-98.27
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=CC([O-])=C1F	REAL300024879220	1	41	-2.0	-98.38	368.89	1.29	-97.09
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)N[N-]1	REAL300024879290	0	38	-2.0	-90.10	345.40	-1.77	-91.87
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NC(=O)NN1	REAL300024879295	0	43	-2.0	-94.51	378.81	-1.13	-95.64
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CSC1=NC(=O)[N-]N1	REAL300024879295	1	43	-2.0	-94.51	378.81	-1.13	-95.64
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)N([O-])C=C1	REAL300024879343	0	41	-2.0	-102.09	375.80	2.04	-100.05
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NC(=O)N[N-]1	REAL300024879359	0	37	-2.0	-91.56	340.38	-2.70	-94.26
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=CN([O-])C1=O	REAL300024879364	0	41	-2.0	-120.59	374.94	2.04	-118.55
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(F)=CC=C1O	REAL300024879466	0	41	-2.0	-94.36	368.68	2.46	-91.90
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(F)=CC=C1[O-]	REAL300024879466	1	41	-2.0	-94.36	368.68	2.46	-91.90
CC1=CC=NC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300024879508	0	43	-2.0	-100.93	377.67	2.54	-98.39
CC1=CC=NC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300024879508	1	43	-2.0	-100.93	377.67	2.54	-98.39
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)CC1=NC([O-])=CS1	REAL300024879649	0	40	-2.0	-109.11	374.85	-1.97	-111.08
CC1=CC(=O)C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024879748	0	42	-2.0	-93.64	373.83	2.03	-91.61
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=CC(=O)N1[O-]	REAL300024879763	0	41	-2.0	-122.52	374.97	1.81	-120.71
CN1N=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024879807	0	40	-2.0	-96.37	362.89	-1.61	-97.98
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=C(F)C(O)=C1	REAL300024879926	0	41	-2.0	-96.29	365.87	1.19	-95.10
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=C(F)C([O-])=C1	REAL300024879926	1	41	-2.0	-96.29	365.87	1.19	-95.10
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024879973	0	39	-2.0	-94.48	358.25	-4.33	-98.81
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024879973	1	39	-2.0	-87.87	358.73	-3.57	-91.44
NC1=NC=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300024880008	1	41	-2.0	-102.41	373.15	-1.43	-103.84
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=NC=C1[O-]	REAL300024880090	0	40	-2.0	-95.57	357.22	0.58	-94.99
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL300024880095	0	37	-2.0	-94.29	340.83	-1.56	-95.85
CC1=C([O-])N=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024880110	1	40	-2.0	-99.31	372.57	-1.28	-100.59
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)NC([O-])=C1	REAL300024880206	0	41	-2.0	-89.77	375.70	-2.88	-92.65
CCN1[N-]C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024880247	0	44	-2.0	-93.40	390.02	0.87	-92.53
CN1[N-]C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024880263	0	41	-2.0	-92.72	368.21	-0.06	-92.78
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC=C([O-])C(F)=C1	REAL300024880345	1	41	-2.0	-94.71	365.83	1.22	-93.49
CC1=CN=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300024880406	1	43	-2.0	-102.49	378.48	2.53	-99.96
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC([O-])=CS1	REAL300024880419	0	38	-2.0	-99.44	352.19	0.21	-99.23
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CN([O-])C(=O)C=C1	REAL300024880430	0	41	-2.0	-99.94	375.67	2.01	-97.93
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024880528	0	39	-2.0	-87.87	358.73	-3.57	-91.44
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024880528	1	39	-2.0	-87.87	358.73	-3.57	-91.44
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1CN2C(=O)C1=CC(=O)[N-]O1	REAL300024880633	0	37	-2.0	-94.29	340.83	-1.56	-95.85
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024881807	0	38	-2.0	-93.92	354.95	-5.94	-99.86
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024881891	0	40	-2.0	-95.20	368.99	-4.27	-99.47
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024882477	0	40	-2.0	-108.19	367.00	0.19	-108.00
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024882591	0	40	-2.0	-88.56	367.47	-4.70	-93.26
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=COC(=O)[N-]2)C1	REAL300024882602	1	36	-2.0	-87.65	339.54	-4.86	-92.51
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]([N-]C(=O)C(F)(F)C(F)(F)F)C1	REAL300024882691	0	35	-2.0	-82.75	344.02	-1.55	-84.30
CCN1[N-]C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024882771	0	43	-2.0	-92.72	388.91	-1.23	-93.95
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CC=CC(=S)N2[O-])C1	REAL300024882793	0	40	-2.0	-125.66	374.56	2.23	-123.43
CN1N=C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024882817	0	39	-2.0	-94.77	360.64	-3.65	-98.42
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=C[N-]N=CC2=O)C1	REAL300024882905	0	38	-2.0	-80.56	348.52	-1.70	-82.26
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CC(=O)N[N-]2)C1	REAL300024883000	0	37	-2.0	-89.12	344.37	-3.87	-92.99
C[PH](C)([O-])C(=O)C(=O)N[C@H]1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024883005	0	42	-2.0	-91.16	381.92	-3.02	-94.18
C[PH](C)([O-])C(=O)C(=O)N[C@H]1CCN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024883005	1	42	-2.0	-91.16	381.92	-3.02	-94.18
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024883035	0	40	-2.0	-96.94	364.52	0.37	-96.57
CC1SC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024883063	0	39	-2.0	-94.18	370.09	-3.74	-97.92
CC1=C([O-])N=C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024883063	1	39	-2.0	-94.18	370.09	-3.74	-97.92
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CC(=O)C=C(Cl)N2)C1	REAL300024883076	0	39	-2.0	-86.01	374.52	-0.58	-86.59
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300024883076	1	39	-2.0	-86.01	374.52	-0.58	-86.59
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024883093	0	40	-2.0	-108.20	367.37	0.20	-108.00
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024883126	0	40	-2.0	-121.88	363.44	1.19	-120.69
O=C(C[N-]C(=O)C(F)(F)F)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883246	0	39	-2.0	-88.16	373.43	-3.96	-92.12
NC1=NC([O-])=C(CC(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024883247	0	41	-2.0	-110.70	384.63	-4.80	-115.50
O=C(CC1=NC([O-])=CS1)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883291	0	39	-2.0	-111.38	369.83	-3.94	-115.32
O=C(CN1N=CC(=O)[N-]C1=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024883318	0	41	-2.0	-102.70	379.41	-5.39	-108.09
CC1=CC(=O)C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024883520	0	41	-2.0	-93.72	373.12	-0.08	-93.80
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=NNC(=O)[N-]2)C1	REAL300024883535	0	36	-2.0	-92.76	338.78	-5.32	-98.08
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CN=C(C=N[O-])S2)C1	REAL300024883643	0	39	-2.0	-101.30	379.60	-2.26	-103.56
COC1=NC(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC(=O)[N-]1	REAL300024883656	0	42	-2.0	-94.10	385.09	-5.86	-99.96
CN1[N-]C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024883799	0	40	-2.0	-91.37	366.21	-2.16	-93.53
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300024884051	1	39	-2.0	-107.67	352.69	-0.05	-107.72
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024884172	0	38	-2.0	-97.49	352.39	-5.83	-103.32
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024884331	0	40	-2.0	-91.50	368.78	-4.34	-95.84
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300024885637	1	40	-2.0	-101.47	372.85	1.05	-100.42
N#CC1=CC([O-])=CC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024885662	1	41	-2.0	-94.54	375.96	-0.49	-95.03
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024885761	1	36	-2.0	-88.73	336.20	-4.00	-92.73
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300024885827	0	39	-2.0	-89.65	373.43	-4.04	-93.69
NC1=NC([O-])=C(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024885828	0	41	-2.0	-106.43	385.62	-4.83	-111.26
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300024885837	0	40	-2.0	-89.14	377.65	-0.44	-89.58
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300024885850	1	40	-2.0	-92.86	363.74	-0.69	-93.55
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300024885856	0	39	-2.0	-88.02	360.36	-1.25	-89.27
N#CC1=CC=C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C=C1[O-]	REAL300024885862	1	41	-2.0	-88.03	376.99	-0.38	-88.41
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300024885865	0	39	-2.0	-100.13	370.30	-1.30	-101.43
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300024885881	0	41	-2.0	-97.45	380.31	-5.42	-102.87
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CCC2=NNC(=O)[N-]2)C1	REAL300024885943	0	42	-2.0	-89.21	379.07	-3.70	-92.91
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300024885959	0	38	-2.0	-92.84	354.61	-2.10	-94.94
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300024885968	0	40	-2.0	-114.14	364.74	0.25	-113.89
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300024886054	1	40	-2.0	-108.59	365.00	-0.68	-109.27
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024886152	0	37	-2.0	-90.87	341.04	-3.76	-94.63
C[PH](C)([O-])C(=O)C(=O)N1CC[C@H](NC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024886158	1	42	-2.0	-93.74	374.13	-3.10	-96.84
CN1[N-]C(CC(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024886163	0	43	-2.0	-97.26	387.72	-1.51	-98.77
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC(F)=CC(F)=C2[O-])C1	REAL300024886222	0	40	-2.0	-97.97	365.57	0.91	-97.06
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024886244	0	40	-2.0	-101.42	371.20	0.08	-101.34
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024886268	0	36	-2.0	-89.12	335.83	-4.60	-93.72
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300024886270	1	40	-2.0	-102.98	380.58	-0.06	-103.04
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300024886274	0	40	-2.0	-112.93	370.52	0.03	-112.90
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300024886303	1	40	-2.0	-94.18	376.87	-0.44	-94.62
NC1=CC(=O)[N-]C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300024886386	0	40	-2.0	-99.27	364.18	-3.98	-103.25
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300024886433	0	40	-2.0	-90.98	372.83	-0.22	-91.20
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300024886438	1	40	-2.0	-100.76	362.53	0.62	-100.14
CC1=CC=NC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024886501	1	42	-2.0	-105.55	372.36	0.73	-104.82
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300024886615	0	40	-2.0	-115.45	381.85	0.46	-114.99
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300024886719	0	39	-2.0	-84.42	370.33	-1.14	-85.56
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300024886756	1	40	-2.0	-91.16	372.41	-0.24	-91.40
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300024886767	0	39	-2.0	-106.29	370.81	-3.96	-110.25
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300024886782	0	40	-2.0	-104.07	371.09	-0.44	-104.51
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300024886784	0	42	-2.0	-93.26	386.08	-3.32	-96.58
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300024886785	0	40	-2.0	-103.80	363.52	0.61	-103.19
CC1=CC=C(F)C([O-])=C1C(=O)N1CC[C@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024886815	0	43	-2.0	-103.28	389.94	0.14	-103.14
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300024886901	0	40	-2.0	-94.89	368.87	-0.64	-95.53
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300024886907	0	40	-2.0	-108.46	374.54	0.72	-107.74
CC1=CC(=O)C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024886935	0	41	-2.0	-97.09	369.54	0.03	-97.06
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024886960	0	40	-2.0	-120.15	370.75	-0.17	-120.32
N#CC1=CC=C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024886984	0	40	-2.0	-98.25	380.55	-2.29	-100.54
CN1N=C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024887028	0	39	-2.0	-96.10	357.59	-3.50	-99.60
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300024887075	0	41	-2.0	-100.38	381.24	-2.35	-102.73
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300024887075	1	41	-2.0	-100.38	381.24	-2.35	-102.73
N#CC1=CC=C([O-])C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024887084	0	41	-2.0	-97.75	376.95	0.96	-96.79
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300024887166	0	40	-2.0	-92.35	375.63	-2.56	-94.91
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300024887217	1	40	-2.0	-102.78	363.07	-0.76	-103.54
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300024887235	1	40	-2.0	-103.74	373.84	1.06	-102.68
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024887300	0	38	-2.0	-86.14	354.36	-5.48	-91.62
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024887300	1	38	-2.0	-86.14	354.36	-5.48	-91.62
NC1=NC=C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N1	REAL300024887354	0	40	-2.0	-102.71	369.00	-3.43	-106.14
NC1=NC=C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024887354	1	40	-2.0	-102.71	369.00	-3.43	-106.14
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300024887438	0	39	-2.0	-101.65	368.23	0.55	-101.10
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024887490	0	36	-2.0	-93.50	336.14	-3.56	-97.06
CC1SC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024887512	0	39	-2.0	-93.80	367.96	-3.16	-96.96
CC1=C([O-])N=C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024887512	1	39	-2.0	-93.80	367.96	-3.16	-96.96
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C(=O)C2=CC=C(O)C=C2)C1	REAL300024887603	0	42	-2.0	-91.37	377.96	-0.52	-91.89
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300024887603	1	42	-2.0	-91.37	377.96	-0.52	-91.89
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300024887620	0	39	-2.0	-103.11	373.88	-2.62	-105.73
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC(=O)C=C(Cl)N2)C1	REAL300024887640	0	39	-2.0	-87.91	370.75	-0.24	-88.15
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300024887640	1	39	-2.0	-87.91	370.75	-0.24	-88.15
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024887660	0	40	-2.0	-88.85	371.66	-4.88	-93.73
CCN1[N-]C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024887716	0	43	-2.0	-93.20	384.75	-1.05	-94.25
CN1[N-]C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024887734	0	40	-2.0	-93.76	363.78	-2.05	-95.81
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC=C(O)C(F)=C2)C1	REAL300024887870	0	40	-2.0	-94.83	363.03	-0.72	-95.55
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300024887870	1	40	-2.0	-94.83	363.03	-0.72	-95.55
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300024887913	0	40	-2.0	-95.21	367.55	-0.73	-95.94
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300024887918	0	39	-2.0	-105.30	369.61	-1.26	-106.56
CC1=CN=C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C(O)=C1	REAL300024887968	0	42	-2.0	-109.58	374.22	0.57	-109.01
CC1=CN=C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024887968	1	42	-2.0	-109.58	374.22	0.57	-109.01
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CC([O-])=CS2)C1	REAL300024887988	0	37	-2.0	-102.92	347.72	-1.80	-104.72
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024888004	0	40	-2.0	-100.90	371.26	0.03	-100.87
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024888166	0	38	-2.0	-90.16	357.49	-6.92	-97.08
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024888166	1	38	-2.0	-85.34	358.06	-6.15	-91.49
O=C(CN1[N-]C(=O)C=CC1=O)N[C@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024888304	0	42	-2.0	-96.03	385.10	-3.28	-99.31
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024888311	0	36	-2.0	-92.95	339.11	-3.39	-96.34
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H](NC(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300024888322	0	40	-2.0	-88.72	368.80	-2.15	-90.87
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024889511	0	38	-2.0	-93.88	354.98	-5.93	-99.81
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024889595	0	40	-2.0	-97.29	369.91	-4.25	-101.54
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024890181	0	40	-2.0	-106.50	366.06	0.21	-106.29
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024890295	0	40	-2.0	-88.53	367.46	-4.70	-93.23
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=COC(=O)[N-]2)C1	REAL300024890306	1	36	-2.0	-87.33	339.40	-4.84	-92.17
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]([N-]C(=O)C(F)(F)C(F)(F)F)C1	REAL300024890395	0	35	-2.0	-83.13	343.44	-1.58	-84.71
CCN1[N-]C(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024890475	0	43	-2.0	-92.12	387.97	-1.22	-93.34
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CC=CC(=S)N2[O-])C1	REAL300024890497	0	40	-2.0	-125.84	374.63	2.25	-123.59
CN1N=C(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024890521	0	39	-2.0	-95.18	360.69	-3.66	-98.84
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=C[N-]N=CC2=O)C1	REAL300024890609	0	38	-2.0	-81.08	347.66	-1.71	-82.79
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CC(=O)N[N-]2)C1	REAL300024890704	0	37	-2.0	-88.69	343.42	-3.86	-92.55
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024890709	0	42	-2.0	-92.58	382.84	-3.02	-95.60
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CCN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024890709	1	42	-2.0	-92.58	382.84	-3.02	-95.60
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CC=CN([O-])C2=O)C1	REAL300024890739	0	40	-2.0	-97.22	364.60	0.36	-96.86
CC1SC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024890767	0	39	-2.0	-94.41	370.21	-3.75	-98.16
CC1=C([O-])N=C(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024890767	1	39	-2.0	-94.41	370.21	-3.75	-98.16
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CC(=O)C=C(Cl)N2)C1	REAL300024890780	0	39	-2.0	-85.47	373.57	-0.57	-86.04
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300024890780	1	39	-2.0	-85.47	373.57	-0.57	-86.04
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024890797	0	40	-2.0	-106.76	366.43	0.21	-106.55
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024890830	0	40	-2.0	-122.19	363.51	1.21	-120.98
NC1=NC([O-])=C(CC(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024890951	0	41	-2.0	-107.09	385.58	-4.79	-111.88
O=C(CC1=NC([O-])=CS1)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024890995	0	39	-2.0	-111.08	370.88	-3.96	-115.04
CC1=CC(=O)C(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024891224	0	41	-2.0	-92.71	372.14	-0.07	-92.78
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=NNC(=O)[N-]2)C1	REAL300024891239	0	36	-2.0	-92.36	337.93	-5.32	-97.68
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CN=C(C=N[O-])S2)C1	REAL300024891347	0	39	-2.0	-101.02	378.80	-2.28	-103.30
COC1=NC(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC(=O)[N-]1	REAL300024891360	0	42	-2.0	-93.28	384.14	-5.85	-99.13
CN1[N-]C(C(=O)N[C@@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024891503	0	40	-2.0	-91.19	366.16	-2.15	-93.34
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300024891755	1	39	-2.0	-106.41	352.13	0.03	-106.38
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024891876	0	38	-2.0	-97.14	352.31	-5.81	-102.95
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024892035	0	40	-2.0	-91.65	368.74	-4.34	-95.99
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300024893341	1	40	-2.0	-101.90	372.91	1.04	-100.86
N#CC1=CC([O-])=CC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024893366	1	41	-2.0	-93.44	377.77	-0.43	-93.87
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024893465	1	36	-2.0	-88.63	336.15	-3.98	-92.61
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300024893531	0	39	-2.0	-89.92	373.49	-4.04	-93.96
NC1=NC([O-])=C(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024893532	0	41	-2.0	-103.87	384.40	-4.86	-108.73
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300024893541	0	40	-2.0	-88.71	377.50	-0.41	-89.12
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300024893554	1	40	-2.0	-93.24	362.83	-0.72	-93.96
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300024893560	0	39	-2.0	-89.19	361.01	-1.30	-90.49
N#CC1=CC=C(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C=C1[O-]	REAL300024893566	1	41	-2.0	-88.74	375.34	-0.44	-89.18
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300024893569	0	39	-2.0	-99.78	370.24	-1.28	-101.06
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300024893585	0	41	-2.0	-95.40	380.39	-5.45	-100.85
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300024893663	0	38	-2.0	-90.35	354.55	-2.08	-92.43
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300024893672	0	40	-2.0	-113.76	364.73	0.22	-113.54
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300024893758	1	40	-2.0	-108.29	364.98	-0.67	-108.96
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024893856	0	37	-2.0	-90.92	341.04	-3.76	-94.68
C[PH](C)([O-])C(=O)C(=O)N1CC[C@@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300024893862	0	42	-2.0	-93.41	373.41	-3.06	-96.47
C[PH](C)([O-])C(=O)C(=O)N1CC[C@@H](NC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024893862	1	42	-2.0	-93.41	373.41	-3.06	-96.47
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024893948	0	40	-2.0	-102.81	371.33	0.04	-102.77
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024893972	0	36	-2.0	-89.02	335.80	-4.60	-93.62
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=C(O)C=CC=C2Cl)C1	REAL300024893974	0	40	-2.0	-100.41	380.00	-0.04	-100.45
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300024893974	1	40	-2.0	-100.41	380.00	-0.04	-100.45
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300024893978	0	40	-2.0	-115.42	364.49	0.47	-114.95
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300024894007	0	40	-2.0	-95.00	377.34	-0.44	-95.44
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300024894007	1	40	-2.0	-95.00	377.34	-0.44	-95.44
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300024894142	0	40	-2.0	-101.15	362.59	0.59	-100.56
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300024894142	1	40	-2.0	-101.15	362.59	0.59	-100.56
CC1=CC=NC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024894205	1	42	-2.0	-107.03	372.97	0.65	-106.38
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300024894319	0	40	-2.0	-122.30	381.74	0.47	-121.83
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300024894423	0	39	-2.0	-84.62	370.38	-1.15	-85.77
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300024894460	1	40	-2.0	-91.33	372.24	-0.27	-91.60
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300024894471	0	39	-2.0	-104.50	370.91	-3.99	-108.49
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300024894486	0	40	-2.0	-101.47	370.51	-0.42	-101.89
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300024894488	0	42	-2.0	-93.34	386.18	-3.36	-96.70
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300024894489	0	40	-2.0	-104.58	362.58	0.60	-103.98
CC1=CC=C(F)C([O-])=C1C(=O)N1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024894519	0	43	-2.0	-108.90	390.41	0.15	-108.75
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300024894605	0	40	-2.0	-96.91	371.09	-0.57	-97.48
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300024894611	0	40	-2.0	-108.09	374.53	0.70	-107.39
CC1=CC(=O)C(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024894639	0	41	-2.0	-96.73	369.47	0.05	-96.68
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024894664	0	40	-2.0	-119.08	370.63	-0.16	-119.24
N#CC1=CC=C(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024894688	0	40	-2.0	-94.50	380.58	-2.26	-96.76
CN1N=C(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024894732	0	39	-2.0	-96.28	357.63	-3.52	-99.80
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300024894779	0	41	-2.0	-101.48	381.71	-2.34	-103.82
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300024894779	1	41	-2.0	-101.48	381.71	-2.34	-103.82
N#CC1=CC=C([O-])C(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1	REAL300024894788	0	41	-2.0	-100.36	379.34	0.59	-99.77
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300024894870	0	40	-2.0	-92.59	375.70	-2.55	-95.14
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300024894921	0	40	-2.0	-106.46	361.40	-0.82	-107.28
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300024894921	1	40	-2.0	-106.46	361.40	-0.82	-107.28
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC=C(Cl)C=C2O)C1	REAL300024894939	0	40	-2.0	-104.46	372.90	1.05	-103.41
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300024894939	1	40	-2.0	-104.46	372.90	1.05	-103.41
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024895004	0	38	-2.0	-88.29	353.26	-6.11	-94.40
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024895004	1	38	-2.0	-86.15	354.36	-5.46	-91.61
NC1=NC=C(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300024895058	1	40	-2.0	-100.93	368.90	-3.40	-104.33
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300024895091	0	40	-2.0	-107.44	371.04	-0.59	-108.03
COC1=NC(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC(=O)[N-]1	REAL300024895133	0	42	-2.0	-94.42	378.21	-5.17	-99.59
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300024895142	0	39	-2.0	-103.63	368.89	0.47	-103.16
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300024895180	0	40	-2.0	-102.37	371.20	-0.32	-102.69
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300024895188	0	39	-2.0	-99.67	348.09	-1.03	-100.70
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024895194	0	36	-2.0	-93.30	336.08	-3.56	-96.86
CC1=C([O-])N=C(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024895216	1	39	-2.0	-93.73	367.91	-3.15	-96.88
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300024895307	1	42	-2.0	-91.52	377.93	-0.49	-92.01
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300024895324	0	39	-2.0	-104.93	373.94	-2.58	-107.51
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300024895344	1	39	-2.0	-87.59	370.67	-0.22	-87.81
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024895364	0	40	-2.0	-91.62	371.45	-4.84	-96.46
CCN1[N-]C(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024895420	0	43	-2.0	-93.17	384.73	-1.05	-94.22
CN1[N-]C(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024895438	0	40	-2.0	-93.66	363.80	-2.04	-95.70
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300024895574	1	40	-2.0	-97.54	361.37	-0.79	-98.33
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300024895617	0	40	-2.0	-97.60	367.28	-0.70	-98.30
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300024895622	0	39	-2.0	-105.01	369.55	-1.23	-106.24
CC1=C(CC(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N(C)[N-]1	REAL300024895637	0	46	-2.0	-97.38	407.92	-0.86	-98.24
CC1=CN=C(C(=O)N2CC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024895672	1	42	-2.0	-107.48	373.52	0.67	-106.81
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CC([O-])=CS2)C1	REAL300024895692	0	37	-2.0	-102.34	347.60	-1.75	-104.09
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024895708	0	40	-2.0	-104.60	360.46	-0.31	-104.91
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024895870	0	38	-2.0	-90.59	356.41	-6.90	-97.49
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024895870	1	38	-2.0	-85.12	358.01	-6.15	-91.27
O=C(CN1[N-]C(=O)C=CC1=O)N[C@@H]1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896008	0	42	-2.0	-98.92	386.02	-3.26	-102.18
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300024896015	0	36	-2.0	-92.50	338.97	-3.37	-95.87
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](NC(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300024896026	0	40	-2.0	-88.88	368.98	-2.15	-91.03
CN(C(=O)C1=NNC(=O)[N-]C1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896789	0	41	-2.0	-93.58	365.73	-3.97	-97.55
CN(C(=O)CN1C(=O)[N-]NC1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024896837	0	43	-2.0	-96.22	382.47	-2.59	-98.81
CN(C(=O)C1=CN([O-])C(=O)C=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897177	0	43	-2.0	-101.79	384.85	1.76	-100.03
CN(C(=O)C1=CC(=O)NC([O-])=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897252	0	43	-2.0	-85.59	375.31	-3.41	-89.00
CN(C(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897263	1	39	-2.0	-85.91	349.20	-1.79	-87.70
CCN1[N-]C(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024897368	0	46	-2.0	-90.84	398.72	0.76	-90.08
CN(C(=O)C1=NN(C)C(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897394	0	42	-2.0	-94.30	372.18	-1.75	-96.05
CN(C(=O)C1=C[N-]N=CC1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897446	0	41	-2.0	-85.59	368.12	-0.37	-85.96
CN(C(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897504	0	40	-2.0	-86.05	354.02	-1.91	-87.96
CN(C(=O)C(=O)[PH](C)(C)[O-])C1CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300024897509	0	45	-2.0	-88.83	387.65	-0.88	-89.71
CN(C(=O)C(=O)[PH](C)(C)[O-])C1CCN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300024897509	1	45	-2.0	-88.83	387.65	-0.88	-89.71
CN(C(=O)C1=CC=CN([O-])C1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897529	0	43	-2.0	-102.84	382.16	1.65	-101.19
CC1SC(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300024897548	0	42	-2.0	-92.40	381.29	-1.13	-93.53
CC1=C([O-])N=C(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024897548	1	42	-2.0	-92.40	381.29	-1.13	-93.53
CN(C(=O)C1=CC(=O)N([O-])C=C1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897562	0	43	-2.0	-106.17	376.40	1.51	-104.66
CN(C(=O)C1=CC=CC(=O)N1[O-])C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897583	0	43	-2.0	-123.46	375.98	2.29	-121.17
CN(C(=O)CC1=NC([O-])=CS1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897684	0	42	-2.0	-110.35	383.53	-2.25	-112.60
CC1=CC(=O)C(C(=O)N(C)C2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024897822	0	44	-2.0	-91.84	382.89	1.89	-89.95
CN(C(=O)C1=NC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897832	0	39	-2.0	-85.93	349.50	-2.62	-88.55
CN(C(=O)C1=CC(=O)N(C)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024897998	0	43	-2.0	-89.99	376.99	-0.17	-90.16
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300024898248	1	42	-2.0	-100.34	364.76	1.74	-98.60
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300024898337	0	41	-2.0	-93.52	364.86	-4.08	-97.60
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300024898423	0	43	-2.0	-96.81	382.75	-2.61	-99.42
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024899207	1	39	-2.0	-85.13	348.01	-2.09	-87.22
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300024899269	1	43	-2.0	-92.25	377.99	1.05	-91.20
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300024899272	0	42	-2.0	-87.39	373.84	0.41	-86.98
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300024899320	1	45	-2.0	-97.47	392.70	-2.47	-99.94
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300024899329	0	41	-2.0	-85.04	366.88	-0.38	-85.42
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300024899336	0	43	-2.0	-109.80	377.39	1.94	-107.86
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300024899391	1	43	-2.0	-105.12	377.65	1.05	-104.07
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024899455	0	40	-2.0	-87.95	353.81	-2.04	-89.99
CN(C(=O)CSC1=NC(=O)NN1)C1CCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300024899460	0	45	-2.0	-91.08	387.02	-1.16	-92.24
CN(C(=O)CSC1=NC(=O)[N-]N1)C1CCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300024899460	1	45	-2.0	-91.08	387.02	-1.16	-92.24
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300024899505	0	43	-2.0	-99.38	384.40	1.77	-97.61
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024899519	0	39	-2.0	-85.26	347.27	-2.72	-87.98
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300024899523	0	43	-2.0	-107.98	383.32	1.72	-106.26
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300024899619	0	43	-2.0	-95.48	375.23	2.32	-93.16
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300024899619	1	43	-2.0	-95.48	375.23	2.32	-93.16
CC1=CC=NC(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300024899660	0	45	-2.0	-102.78	385.57	2.38	-100.40
CC1=CC=NC(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300024899660	1	45	-2.0	-102.78	385.57	2.38	-100.40
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300024899793	0	42	-2.0	-110.59	383.59	-2.26	-112.85
CC1=CC(=O)C(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300024899888	0	44	-2.0	-93.07	382.05	1.78	-91.29
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300024899903	0	43	-2.0	-117.96	383.37	1.57	-116.39
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300024899945	0	42	-2.0	-94.66	371.03	-1.84	-96.50
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300024900058	0	43	-2.0	-89.70	375.49	0.97	-88.73
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300024900058	1	43	-2.0	-89.70	375.49	0.97	-88.73
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300024900103	0	41	-2.0	-86.82	365.52	-4.40	-91.22
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300024900103	1	41	-2.0	-84.37	366.90	-3.75	-88.12
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300024900137	1	43	-2.0	-94.91	381.61	-1.72	-96.63
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300024900212	0	42	-2.0	-102.73	366.19	0.02	-102.71
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024900217	0	39	-2.0	-91.10	348.68	-1.82	-92.92
CC1=C([O-])N=C(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300024900232	1	42	-2.0	-90.84	379.45	-1.30	-92.14
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300024900323	0	43	-2.0	-86.37	384.31	-3.16	-89.53
CCN1[N-]C(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024900361	0	46	-2.0	-91.89	398.25	0.61	-91.28
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300024900377	0	43	-2.0	-90.97	376.44	-0.33	-91.30
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300024900457	1	43	-2.0	-91.34	375.48	1.00	-90.34
CC1=CN=C(C(=O)N2CCC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300024900512	1	45	-2.0	-101.79	386.21	2.38	-99.41
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC([O-])=CS2)C1	REAL300024900524	0	40	-2.0	-99.05	360.27	-0.04	-99.09
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300024900535	0	43	-2.0	-102.85	383.74	1.76	-101.09
CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024900629	0	41	-2.0	-82.83	366.87	-3.43	-86.26
CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024900629	1	41	-2.0	-82.83	366.87	-3.43	-86.26
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024900728	0	39	-2.0	-91.25	349.17	-1.80	-93.05
CCN(C(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901366	1	42	-2.0	-90.58	365.22	-0.16	-90.74
CCN(C(=O)C1=NN(C)C(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901439	0	45	-2.0	-97.18	388.13	-0.57	-97.75
CCN(C(=O)C1=C[N-]N=CC1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901464	0	44	-2.0	-82.88	368.07	0.66	-82.22
CCN(C(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901495	0	43	-2.0	-89.65	370.56	-0.73	-90.38
CCN(C(=O)C1=NC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901632	0	42	-2.0	-87.97	365.49	-1.02	-88.99
CCN(C(=O)C1=CC(=O)N(C)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024901699	0	46	-2.0	-92.54	393.41	0.98	-91.56
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300024901947	1	45	-2.0	-107.73	383.30	2.68	-105.05
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024902410	1	42	-2.0	-95.29	366.44	-1.10	-96.39
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300024902477	0	44	-2.0	-95.56	385.69	0.63	-94.93
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024902534	0	43	-2.0	-97.19	371.31	-0.99	-98.18
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024902566	0	42	-2.0	-91.17	366.50	-1.87	-93.04
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300024902769	0	45	-2.0	-98.42	389.15	-0.87	-99.29
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300024902887	0	45	-2.0	-101.07	384.03	1.02	-100.05
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024902889	0	42	-2.0	-94.15	366.77	-0.85	-95.00
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300024902969	0	46	-2.0	-94.60	394.41	0.66	-93.94
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC([O-])=CS2)C1	REAL300024903053	0	43	-2.0	-101.57	378.28	0.94	-100.63
CCN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024903158	0	42	-2.0	-99.03	365.22	-0.89	-99.92
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC(NC(=O)C2=COC(=O)[N-]2)C1	REAL300024903859	1	42	-2.0	-93.77	368.59	-3.12	-96.89
CN1N=C(C(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024903943	0	45	-2.0	-105.52	390.65	-1.93	-107.45
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC(NC(=O)C2=C[N-]N=CC2=O)C1	REAL300024903971	0	44	-2.0	-81.16	375.46	0.03	-81.13
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC(NC(=O)C2=CC(=O)N[N-]2)C1	REAL300024904005	0	43	-2.0	-86.81	371.28	-2.13	-88.94
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC(NC(=O)C2=NC(=O)N[N-]2)C1	REAL300024904166	0	42	-2.0	-95.51	368.01	-3.43	-98.94
CN1[N-]C(C(=O)NC2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300024904249	0	46	-2.0	-101.21	396.22	-0.42	-101.63
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300024904497	1	45	-2.0	-103.34	379.63	2.22	-101.12
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024904960	1	42	-2.0	-85.31	362.93	-1.20	-86.51
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300024905027	0	44	-2.0	-88.19	383.87	-0.37	-88.56
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024905084	0	43	-2.0	-87.62	367.82	-1.75	-89.37
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024905116	0	42	-2.0	-85.65	362.71	-2.12	-87.77
CN1N=C(C(=O)N2CCCCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300024905319	0	45	-2.0	-94.45	385.37	-1.61	-96.06
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300024905437	0	45	-2.0	-103.14	379.22	-0.72	-103.86
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024905439	0	42	-2.0	-90.63	363.00	-1.85	-92.48
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CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=CC(=S)N1[O-]	REAL300024945967	0	42	-2.0	-122.55	392.53	1.02	-121.53
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=NN(C)C(=O)[N-]1	REAL300024945990	0	41	-2.0	-95.65	369.19	-2.88	-98.53
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=C[N-]N=CC1=O	REAL300024946072	0	40	-2.0	-88.94	365.08	-1.54	-90.48
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(=O)N[N-]1	REAL300024946163	0	39	-2.0	-88.65	351.71	-3.02	-91.67
CC(CNC(=O)CSC1=NC(=O)[N-]N1)N(C)C(=O)C(=O)[PH](C)(C)[O-]	REAL300024946168	1	44	-2.0	-95.02	386.39	-1.87	-96.89
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1=CC(=O)N(C)[N-]1	REAL300024946171	0	45	-2.0	-101.13	397.61	-0.93	-102.06
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=CN([O-])C1=O	REAL300024946196	0	42	-2.0	-117.92	381.09	0.58	-117.34
CC1=C([O-])N=C(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024946222	1	41	-2.0	-94.48	378.02	-2.19	-96.67
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(=O)N([O-])C=C1	REAL300024946251	0	42	-2.0	-105.95	373.54	0.39	-105.56
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=CC(=O)N1[O-]	REAL300024946281	0	42	-2.0	-116.41	381.43	0.40	-116.01
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C[N-]C(=O)C(F)(F)F	REAL300024946395	0	41	-2.0	-87.94	384.25	-3.47	-91.41
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CC1=NC([O-])=CS1	REAL300024946438	0	41	-2.0	-111.26	380.64	-3.38	-114.64
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300024946464	0	43	-2.0	-96.08	390.11	-4.87	-100.95
CC1=CC(=O)C(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024946659	0	43	-2.0	-91.39	380.07	0.75	-90.64
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=NC(=O)N[N-]1	REAL300024946672	0	38	-2.0	-87.75	346.48	-3.73	-91.48
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CN=C(C=N[O-])S1	REAL300024946778	0	41	-2.0	-103.51	384.78	-2.16	-105.67
COC1=NC(C(=O)N(C)C(C)CNC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300024946790	0	44	-2.0	-94.01	389.69	-4.35	-98.36
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(=O)N(C)[N-]1	REAL300024946925	0	42	-2.0	-91.30	374.05	-1.30	-92.60
CC(CNC(=O)C1=NC=CC=C1[O-])N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947177	1	41	-2.0	-99.27	366.18	0.18	-99.09
CC(CNC(=O)C1=NNC(=O)[N-]C1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947296	0	40	-2.0	-92.80	365.69	-5.33	-98.13
CC(CNC(=O)CN1C(=O)[N-]NC1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024947446	0	42	-2.0	-92.57	379.81	-3.68	-96.25
CC(CNC(=O)C1=CC(Cl)=CC=C1[O-])N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948674	1	42	-2.0	-95.57	385.68	2.40	-93.17
CC(CNC(=O)C1=CC([O-])=CC(C#N)=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948698	1	43	-2.0	-95.59	391.97	0.62	-94.97
CC(CNC(=O)C1=COC(=O)[N-]1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948795	1	38	-2.0	-97.49	349.30	-4.25	-101.74
CC(CNC(=O)C[N-]C(=O)C(F)(F)F)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948859	0	41	-2.0	-89.87	384.23	-3.37	-93.24
CC(CNC(=O)C1=CC=C([O-])C=C1F)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948880	1	42	-2.0	-93.42	375.63	0.34	-93.08
CC(CNC(=O)C1=CC([O-])=CC(=O)O1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948886	0	41	-2.0	-95.36	374.45	-0.50	-95.86
CC(CNC(=O)C1=CC=C(C#N)C([O-])=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948892	1	43	-2.0	-93.40	391.26	0.68	-92.72
CC(CNC(=O)CN1N=CC(=O)[N-]C1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948909	0	43	-2.0	-95.84	390.14	-4.78	-100.62
CC(CNC(=O)C1=C[N-]N=CC1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948982	0	40	-2.0	-88.23	358.35	-1.10	-89.33
CC(CNC(=O)C1=CC=CC(F)=C1[O-])N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024948990	0	42	-2.0	-100.37	375.17	1.94	-98.43
CC(CNC(=O)C1=CC=CC([O-])=C1F)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949074	1	42	-2.0	-98.94	375.50	0.32	-98.62
CC(CNC(=O)C1=CC(=O)N[N-]1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949167	0	39	-2.0	-91.64	354.12	-3.27	-94.91
CC(CNC(=O)C(=O)[PH](C)(C)[O-])N(C)C(=O)CSC1=NC(=O)[N-]N1	REAL300024949173	1	44	-2.0	-95.16	388.31	-2.24	-97.40
CC(CNC(=O)CC1=CC(=O)N(C)[N-]1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949178	0	45	-2.0	-96.67	397.61	-0.90	-97.57
CC(CNC(=O)C1=CC(=O)N([O-])C=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949256	0	42	-2.0	-104.42	377.14	0.80	-103.62
CC(CNC(=O)C1=NC(=O)N[N-]1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949278	0	38	-2.0	-96.04	348.72	-4.55	-100.59
CC(CNC(=O)C1=C([O-])C=CC=C1Cl)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949280	1	42	-2.0	-97.70	390.34	0.60	-97.10
CC(CNC(=O)C1=CC=CN([O-])C1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949284	0	42	-2.0	-114.42	374.35	0.98	-113.44
CC(CNC(=O)C1=NC(N)=CC(=O)[N-]1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949390	0	42	-2.0	-96.73	378.27	-3.83	-100.56
CC(CNC(=O)C1=CC=C([O-])C(Cl)=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949433	0	42	-2.0	-93.34	387.09	0.83	-92.51
CC(CNC(=O)C1=CC(F)=CC=C1[O-])N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949438	1	42	-2.0	-95.72	375.36	1.94	-93.78
CC1=CC=NC(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300024949500	1	44	-2.0	-99.51	386.50	0.87	-98.64
CC(CNC(=O)C1=CC=CC(=S)N1[O-])N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949603	0	42	-2.0	-112.15	385.32	2.85	-109.30
CC(CNC(=O)C1=CC=C([O-])C=C1Cl)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949736	1	42	-2.0	-93.09	383.60	0.78	-92.31
CC(CNC(=O)CC1=NC([O-])=CS1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949747	0	41	-2.0	-103.52	380.64	-3.34	-106.86
CC(CNC(=O)C1=C([O-])C=CC=C1F)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949762	1	42	-2.0	-97.97	380.85	0.22	-97.75
CC(CNC(=O)CN1[N-]C(=O)C=CC1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949763	0	44	-2.0	-93.31	395.91	-2.68	-95.99
CC(CNC(=O)C1=CC=C(F)C=C1[O-])N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949764	0	42	-2.0	-95.68	375.35	1.95	-93.73
CC1=CC=C(F)C([O-])=C1C(=O)NCC(C)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949794	0	45	-2.0	-103.56	400.30	0.78	-102.78
CC(CNC(=O)C1=CC=CC(Cl)=C1[O-])N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949879	0	42	-2.0	-96.15	384.98	2.41	-93.74
CC1=CC(=O)C(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024949907	0	43	-2.0	-94.61	382.84	0.54	-94.07
CC(CNC(=O)C1=CC=CC(=O)N1[O-])N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949929	0	42	-2.0	-111.00	374.21	1.82	-109.18
CC(CNC(=O)C1=CC=C(C#N)[N-]C1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949952	0	42	-2.0	-92.78	384.12	-1.23	-94.01
CC(CNC(=O)C1=NN(C)C(=O)[N-]1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024949993	0	41	-2.0	-96.24	371.45	-3.05	-99.29
CC(CNC(=O)C1=C(F)C=CC(O)=C1O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950038	0	43	-2.0	-98.23	391.59	-1.71	-99.94
CC(CNC(=O)C1=C(F)C=CC(O)=C1[O-])N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950038	1	43	-2.0	-98.23	391.59	-1.71	-99.94
CC(CNC(=O)C1=CC(C#N)=CC=C1[O-])N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950047	0	43	-2.0	-94.51	389.78	2.30	-92.21
CC(CNC(=O)C1=CN([O-])C(=O)NC1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950127	0	42	-2.0	-92.94	379.60	-1.55	-94.49
CC(CNC(=O)C1=CC=C(F)C([O-])=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950175	1	42	-2.0	-103.82	377.33	0.31	-103.51
CC(C[N-]C(=O)C(F)(F)C(F)(F)F)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950185	1	37	-2.0	-85.59	356.37	-1.04	-86.63
CC(CNC(=O)C1=CC=C(Cl)C=C1[O-])N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950193	1	42	-2.0	-95.76	385.67	2.40	-93.36
CC(CNC(=O)C1=NC(=O)[N-]C(=O)N1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950256	0	40	-2.0	-91.92	367.88	-5.56	-97.48
CC(CNC(=O)C1=NC(=O)NC(=O)[N-]1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950256	1	40	-2.0	-91.92	367.88	-5.56	-97.48
CC(CNC(=O)C1=CN=C(N)NC1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950309	0	42	-2.0	-97.06	372.57	-2.38	-99.44
CC(CNC(=O)C1=CN=C(N)[N-]C1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950309	1	42	-2.0	-97.06	372.57	-2.38	-99.44
CC(CNC(=O)C1=CC=NC=C1O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950430	0	41	-2.0	-95.91	364.23	0.07	-95.84
CC(CNC(=O)C1=CC=NC=C1[O-])N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950430	1	41	-2.0	-95.91	364.23	0.07	-95.84
CC(CNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950436	0	38	-2.0	-97.03	348.87	-2.78	-99.81
CC(CNC(=O)C1=NC(=O)C(C)S1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950457	0	41	-2.0	-106.46	380.67	-3.14	-109.60
CC1=C([O-])N=C(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024950457	1	41	-2.0	-106.46	380.67	-3.14	-109.60
CC(CNC(=O)C(=O)C1=CC=C(O)C=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950544	0	44	-2.0	-91.91	391.44	0.12	-91.79
CC(CNC(=O)C(=O)C1=CC=C([O-])C=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950544	1	44	-2.0	-91.91	391.44	0.12	-91.79
CC(CNC(=O)C1=CN=C(C=N[O-])S1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950561	0	41	-2.0	-102.78	389.51	-1.67	-104.45
CC(CNC(=O)C1=CC(=O)NC([O-])=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950596	0	42	-2.0	-92.80	377.23	-4.10	-96.90
CCN1[N-]C(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024950650	0	45	-2.0	-93.99	398.67	-0.63	-94.62
CC(CNC(=O)C1=CC(=O)N(C)[N-]1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950667	0	42	-2.0	-93.45	376.94	-1.56	-95.01
CC(CNC(=O)C1=CC=C(O)C(F)=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950796	0	42	-2.0	-97.48	377.30	0.34	-97.14
CC(CNC(=O)C1=CC=C([O-])C(F)=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950796	1	42	-2.0	-97.48	377.30	0.34	-97.14
CC1=CN=C(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C(O)=C1	REAL300024950890	0	44	-2.0	-100.66	387.62	0.81	-99.85
CC1=CN=C(C(=O)NCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300024950890	1	44	-2.0	-100.66	387.62	0.81	-99.85
CC(CNC(=O)C1=CC([O-])=CS1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950908	0	39	-2.0	-97.85	363.36	-0.82	-98.67
CC(CNC(=O)C1=CN([O-])C(=O)C=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024950923	0	42	-2.0	-102.65	376.76	0.81	-101.84
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024951078	0	40	-2.0	-91.85	364.46	-5.31	-97.16
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024951078	1	40	-2.0	-85.13	365.32	-4.60	-89.73
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300024951211	0	44	-2.0	-97.23	395.91	-2.77	-100.00
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300024951218	0	38	-2.0	-93.54	346.22	-2.92	-96.46
CC(CNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300024951229	0	42	-2.0	-91.02	382.01	-2.06	-93.08
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=COC(=O)[N-]1	REAL300024951912	1	44	-2.0	-87.64	393.26	-4.32	-91.96
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NN(C)C(=O)[N-]1	REAL300024951992	0	47	-2.0	-92.30	415.49	-3.08	-95.38
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[N-]N=CC1=O	REAL300024952017	0	46	-2.0	-79.52	393.77	-1.18	-80.70
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N[N-]1	REAL300024952049	0	45	-2.0	-86.23	397.68	-3.34	-89.57
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)N[N-]1	REAL300024952195	0	44	-2.0	-87.55	392.84	-4.58	-92.13
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300024952270	0	48	-2.0	-89.14	412.37	-1.61	-90.75
CC(C)CC(CNC(=O)C1=NC=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952507	1	47	-2.0	-95.79	401.62	0.11	-95.68
CC(C)CC(CNC(=O)C1=COC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952934	1	44	-2.0	-90.67	384.74	-4.33	-95.00
CC(C)CC(CNC(=O)C1=C[N-]N=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024952995	0	46	-2.0	-82.20	402.32	-1.12	-83.32
CC(C)CC(CNC(=O)C1=CC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953048	0	45	-2.0	-87.20	389.56	-3.35	-90.55
CC(C)CC(CNC(=O)C1=NC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953076	0	44	-2.0	-89.76	384.16	-4.63	-94.39
CC(C)CC(CNC(=O)C1=NN(C)C(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953259	0	47	-2.0	-92.31	415.40	-3.12	-95.43
CC(C)CC(CNC(=O)C1=CC=NC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953363	1	47	-2.0	-94.26	399.67	0.00	-94.26
CC(C)CC(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953365	0	44	-2.0	-92.64	392.83	-2.81	-95.45
CC(C)CC(CNC(=O)C1=CC(=O)N(C)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953439	0	48	-2.0	-89.22	412.38	-1.64	-90.86
CC(C)CC(CNC(=O)C1=CC([O-])=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024953514	0	45	-2.0	-95.22	398.80	-0.89	-96.11
CC(C)CC(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300024953619	0	44	-2.0	-91.19	392.83	-2.84	-94.03
CC1CN(C(=O)C2=COC(=O)[N-]2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954726	1	42	-2.0	-87.38	369.03	-2.02	-89.40
CC1CN(C(=O)C2=NN(C)C(=O)[N-]2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954810	0	45	-2.0	-90.94	391.13	-1.95	-92.89
CC1CN(C(=O)C2=C[N-]N=CC2=O)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954838	0	44	-2.0	-86.00	383.52	-0.20	-86.20
CC1CN(C(=O)C2=CC(=O)N[N-]2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024954872	0	43	-2.0	-86.14	369.94	-1.71	-87.85
CC1CN(C(=O)C2=NC(=O)N[N-]2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024955033	0	42	-2.0	-86.69	368.67	-2.72	-89.41
CC1CN(C(=O)C2=CC(=O)N(C)[N-]2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024955116	0	46	-2.0	-88.46	392.69	-0.02	-88.48
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=NC=CC=C1[O-]	REAL300024955364	1	45	-2.0	-97.01	389.02	1.15	-95.86
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=COC(=O)[N-]1	REAL300024955827	1	42	-2.0	-85.54	372.15	-3.27	-88.81
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=C[N-]N=CC1=O	REAL300024955894	0	44	-2.0	-78.50	381.20	-0.11	-78.61
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=CC(=O)N[N-]1	REAL300024955951	0	43	-2.0	-84.91	376.97	-2.27	-87.18
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=NC(=O)N[N-]1	REAL300024955983	0	42	-2.0	-85.23	371.57	-3.57	-88.80
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300024956186	0	45	-2.0	-91.19	394.30	-2.07	-93.26
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=CC=NC=C1[O-]	REAL300024956304	1	45	-2.0	-96.29	387.08	1.05	-95.24
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300024956306	0	42	-2.0	-89.08	371.72	-1.78	-90.86
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300024956386	0	46	-2.0	-87.53	399.71	-0.56	-88.09
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=CC([O-])=CS1	REAL300024956470	0	43	-2.0	-94.06	382.26	0.58	-93.48
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300024956589	0	42	-2.0	-90.64	368.85	-2.02	-92.66
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCCCN1C(=O)C1=COC(=O)[N-]1	REAL300024956887	1	45	-2.0	-84.29	383.47	-1.63	-85.92
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCCCN1C(=O)C1=CC(=O)N[N-]1	REAL300024956954	0	46	-2.0	-86.17	388.34	-1.69	-87.86
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCCCN1C(=O)C1=NC(=O)N[N-]1	REAL300024957008	0	45	-2.0	-84.69	383.16	-2.32	-87.01
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CCNC(=O)C1=COC(=O)[N-]1	REAL300024957356	1	45	-2.0	-92.54	386.74	-2.90	-95.44
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CCNC(=O)C1=CC(=O)N[N-]1	REAL300024957408	0	46	-2.0	-89.05	391.75	-1.92	-90.97
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CCNC(=O)C1=NC(=O)N[N-]1	REAL300024957418	0	45	-2.0	-91.32	386.33	-3.19	-94.51
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300024957563	0	45	-2.0	-92.77	386.49	-1.43	-94.20
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300024957695	0	45	-2.0	-90.78	382.63	-1.76	-92.54
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300024958012	1	45	-2.0	-85.28	381.49	-1.65	-86.93
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300024958090	0	46	-2.0	-89.09	391.96	-1.50	-90.59
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300024958158	0	45	-2.0	-86.21	381.33	-2.37	-88.58
CC(NC(=O)C1=COC(=O)[N-]1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958514	1	45	-2.0	-95.73	384.84	-2.89	-98.62
CC(NC(=O)C1=CC(=O)N[N-]1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958566	0	46	-2.0	-91.62	389.67	-1.90	-93.52
CC(NC(=O)C1=NC(=O)N[N-]1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958576	0	45	-2.0	-94.59	389.78	-2.96	-97.55
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300024958721	0	45	-2.0	-96.43	389.93	-1.17	-97.60
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300024958860	0	45	-2.0	-92.35	381.50	-1.68	-94.03
CC1CCCN(C(=O)C2=COC(=O)[N-]2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959145	1	45	-2.0	-89.76	378.58	-0.85	-90.61
CC1CCCN(C(=O)C2=CC(=O)N[N-]2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959212	0	46	-2.0	-94.63	383.59	-0.86	-95.49
CC1CCCN(C(=O)C2=NC(=O)N[N-]2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959266	0	45	-2.0	-91.07	378.35	-1.48	-92.55
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1=COC(=O)[N-]1	REAL300024959614	1	45	-2.0	-100.00	378.00	-1.81	-101.81
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1=CC(=O)N[N-]1	REAL300024959666	0	46	-2.0	-99.82	382.83	-0.83	-100.65
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1=NC(=O)N[N-]1	REAL300024959676	0	45	-2.0	-101.94	379.09	-2.08	-104.02
CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300024959821	0	45	-2.0	-102.71	377.57	-0.34	-103.05
CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024959953	0	45	-2.0	-99.49	373.90	-0.59	-100.08
CC(C)C(CNC(=O)C1=NNC(=O)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961041	0	43	-2.0	-89.95	386.59	-5.98	-95.93
CC(C)C(CNC(=O)C1=CN([O-])C(=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961416	0	45	-2.0	-101.74	394.25	-0.04	-101.78
CC(C)C(CNC(=O)C1=CC(=O)NC([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961485	0	45	-2.0	-87.95	397.79	-4.66	-92.61
CC(C)C(CNC(=O)C1=COC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961495	1	41	-2.0	-90.57	366.78	-5.11	-95.68
CCN1[N-]C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C)=CC1=O	REAL300024961598	0	48	-2.0	-89.51	419.58	-1.27	-90.78
CC(C)C(CNC(=O)C1=NN(C)C(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961622	0	44	-2.0	-92.41	388.93	-3.91	-96.32
CC(C)C(CNC(=O)C1=C[N-]N=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961669	0	43	-2.0	-81.60	375.83	-1.95	-83.55
CC(C)C(CNC(=O)C1=CC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961723	0	42	-2.0	-87.06	370.50	-3.74	-90.80
CC(C)C(CNC(=O)CCC1=NC(=O)NN1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961746	0	47	-2.0	-100.01	405.88	-4.12	-104.13
CC(C)C(CNC(=O)CCC1=NC(=O)[N-]N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961746	1	47	-2.0	-100.01	405.88	-4.12	-104.13
CC(C)C(CNC(=O)C1=CC=CN([O-])C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961748	0	45	-2.0	-105.02	391.83	0.12	-104.90
CC(C)C(CNC(=O)C1=CC(=O)N([O-])C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961776	0	45	-2.0	-103.11	397.69	0.24	-102.87
CC(C)C(CNC(=O)C1=CC=CC(=O)N1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300024961796	0	45	-2.0	-111.32	391.69	0.95	-110.37
CC1=CC(=O)C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C(C)C)=N[N-]1	REAL300024962023	0	46	-2.0	-89.63	400.33	-0.32	-89.95
CC(C)C(CNC(=O)C1=NNC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024962032	0	41	-2.0	-90.11	366.10	-5.57	-95.68
CC(C)C(CNC(=O)C1=CC(=O)N(C)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024962189	0	45	-2.0	-89.15	393.32	-2.03	-91.18
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC=CC=C1[O-]	REAL300024962439	1	44	-2.0	-96.00	383.65	-0.80	-96.80
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NNC(=O)[N-]C1=O	REAL300024962528	0	43	-2.0	-90.59	383.15	-6.28	-96.87
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=COC(=O)[N-]1	REAL300024963349	1	41	-2.0	-88.03	370.20	-4.88	-92.91
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C=C1F	REAL300024963408	1	45	-2.0	-91.05	391.49	-0.18	-91.23
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([O-])=CC(=O)O1	REAL300024963411	0	44	-2.0	-89.21	390.31	-1.04	-90.25
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[N-]N=CC1=O	REAL300024963464	0	43	-2.0	-79.79	374.72	-1.57	-81.36
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(F)=C1[O-]	REAL300024963471	0	45	-2.0	-100.78	392.64	1.00	-99.78
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC([O-])=C1F	REAL300024963521	1	45	-2.0	-100.12	391.86	-0.13	-100.25
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N[N-]1	REAL300024963581	0	42	-2.0	-86.89	369.96	-3.80	-90.69
CC(C)C(CNC(=O)CSC1=NC(=O)NN1)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300024963586	0	47	-2.0	-92.02	409.22	-2.86	-94.88
CC(C)C(CNC(=O)CSC1=NC(=O)[N-]N1)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300024963586	1	47	-2.0	-92.02	409.22	-2.86	-94.88
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N([O-])C=C1	REAL300024963631	0	45	-2.0	-104.02	394.61	-0.03	-104.05
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)N[N-]1	REAL300024963645	0	41	-2.0	-87.53	369.63	-5.18	-92.71
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CN([O-])C1=O	REAL300024963648	0	45	-2.0	-99.97	392.23	0.09	-99.88
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(F)=CC=C1O	REAL300024963741	0	45	-2.0	-93.08	392.83	1.00	-92.08
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(F)=CC=C1[O-]	REAL300024963741	1	45	-2.0	-93.08	392.83	1.00	-92.08
CC1=CC=NC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C)=C1O	REAL300024963781	0	47	-2.0	-96.53	407.41	0.24	-96.29
CC1=CC=NC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C)=C1[O-]	REAL300024963781	1	47	-2.0	-96.53	407.41	0.24	-96.29
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(O)C=CC=C1F	REAL300024963913	0	45	-2.0	-90.48	397.26	-0.59	-91.07
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C([O-])C=CC=C1F	REAL300024963913	1	45	-2.0	-90.48	397.26	-0.59	-91.07
CC1=CC(=O)C(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C)=N[N-]1	REAL300024963995	0	46	-2.0	-89.04	400.31	-0.42	-89.46
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(=O)N1[O-]	REAL300024964009	0	45	-2.0	-114.16	391.68	0.85	-113.31
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NN(C)C(=O)[N-]1	REAL300024964050	0	44	-2.0	-92.35	392.36	-3.69	-96.04
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(F)C([O-])=C1	REAL300024964157	1	45	-2.0	-93.32	393.70	-0.14	-93.46
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024964199	0	43	-2.0	-84.64	383.73	-6.10	-90.74
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024964199	1	43	-2.0	-84.64	383.73	-6.10	-90.74
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C(N)NC1=O	REAL300024964231	0	45	-2.0	-86.40	390.44	-3.25	-89.65
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C(N)[N-]C1=O	REAL300024964231	1	45	-2.0	-86.40	390.44	-3.25	-89.65
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NC=C1O	REAL300024964299	0	44	-2.0	-95.74	381.70	-0.88	-96.62
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NC=C1[O-]	REAL300024964299	1	44	-2.0	-95.74	381.70	-0.88	-96.62
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300024964304	0	41	-2.0	-92.01	364.68	-3.30	-95.31
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)NC([O-])=C1	REAL300024964402	0	45	-2.0	-86.94	393.56	-4.56	-91.50
CCN1[N-]C(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C)=CC1=O	REAL300024964438	0	48	-2.0	-89.87	415.00	-1.07	-90.94
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300024964453	0	45	-2.0	-88.93	394.38	-2.40	-91.33
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(O)C(F)=C1	REAL300024964531	0	45	-2.0	-92.24	393.66	-0.10	-92.34
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300024964531	1	45	-2.0	-92.24	393.66	-0.10	-92.34
CC1=CN=C(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C)C(O)=C1	REAL300024964582	0	47	-2.0	-97.37	403.99	0.23	-97.14
CC1=CN=C(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C(C)C)C([O-])=C1	REAL300024964582	1	47	-2.0	-97.37	403.99	0.23	-97.14
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([O-])=CS1	REAL300024964593	0	42	-2.0	-95.76	379.72	-1.27	-97.03
CC(C)C(CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN([O-])C(=O)C=C1	REAL300024964604	0	45	-2.0	-103.03	394.23	-0.02	-103.05
CC(C)C(CNC(=O)C1=NC(=O)[N-]C(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024964695	0	43	-2.0	-94.03	388.16	-6.97	-101.00
CC(C)C(CNC(=O)C1=NC(=O)NC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024964695	1	43	-2.0	-85.90	385.38	-6.41	-92.31
CC(C)C(CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024964783	0	41	-2.0	-92.50	366.35	-3.64	-96.14
CN(CCN(C)C(=O)C1=NNC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965901	0	40	-2.0	-105.24	366.03	-3.87	-109.11
CN(CCN(C)C(=O)CN1C(=O)[N-]NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024965981	0	42	-2.0	-108.46	382.57	-2.49	-110.95
CN(CCN(C)C(=O)C1=CN([O-])C(=O)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966534	0	42	-2.0	-106.22	384.12	1.85	-104.37
CN(CCN(C)C(=O)C1=CC(=O)NC([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966645	0	42	-2.0	-94.42	384.54	-3.04	-97.46
CN(CCN(C)C(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966656	1	38	-2.0	-92.21	349.06	-1.69	-93.90
CCN1[N-]C(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024966821	0	45	-2.0	-101.22	398.47	0.88	-100.34
CN(CCN(C)C(=O)C1=CC=CC(=S)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024966841	0	42	-2.0	-125.57	394.97	2.25	-123.32
CN(CCN(C)C(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966864	0	41	-2.0	-90.39	372.23	-1.60	-91.99
CN(CCN(C)C(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024966946	0	40	-2.0	-97.39	367.87	-0.26	-97.65
CN(CCN(C)C(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967037	0	39	-2.0	-84.22	354.75	-1.76	-85.98
CN(CCN(C)C(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)NN1	REAL300024967042	0	44	-2.0	-98.99	389.47	-0.62	-99.61
CN(CCN(C)C(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)[N-]N1	REAL300024967042	1	44	-2.0	-98.99	389.47	-0.62	-99.61
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1=NNC(=O)[N-]1	REAL300024967067	0	44	-2.0	-100.45	392.91	-1.83	-102.28
CN(CCN(C)C(=O)C1=CC=CN([O-])C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967070	0	42	-2.0	-122.83	383.76	1.83	-121.00
CC1SC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)=NC1=O	REAL300024967096	0	41	-2.0	-97.28	380.70	-0.96	-98.24
CC1=C([O-])N=C(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024967096	1	41	-2.0	-97.28	380.70	-0.96	-98.24
CN(CCN(C)C(=O)C1=CC(=O)N([O-])C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967125	0	42	-2.0	-100.39	376.67	1.64	-98.75
CN(CCN(C)C(=O)C1=CC=CC(=O)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024967155	0	42	-2.0	-122.77	383.86	1.62	-121.15
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N-]C(=O)C(F)(F)F	REAL300024967269	0	41	-2.0	-83.57	387.29	-2.19	-85.76
CN(CCN(C)C(=O)CC1=NC([O-])=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967312	0	41	-2.0	-120.78	383.41	-2.13	-122.91
CN(CCN(C)C(=O)CN1N=CC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967338	0	43	-2.0	-94.06	392.63	-3.62	-97.68
CC1=CC(=O)C(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024967533	0	43	-2.0	-103.84	382.76	2.01	-101.83
CN(CCN(C)C(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967546	0	38	-2.0	-84.23	349.54	-2.46	-86.69
CN(CCN(C)C(=O)C1=CN=C(C=N[O-])S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967652	0	41	-2.0	-97.92	387.58	-0.92	-98.84
COC1=NC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300024967664	0	44	-2.0	-102.03	392.41	-3.09	-105.12
CN(CCN(C)C(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024967799	0	42	-2.0	-100.29	376.72	-0.04	-100.33
CN(CCN(C)C(=O)C1=NC=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024968051	1	41	-2.0	-115.90	365.97	1.99	-113.91
CN(CCN(C)C(=O)C1=NNC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968170	0	40	-2.0	-105.24	366.03	-3.87	-109.11
CN(CCN(C)C(=O)CN1C(=O)[N-]NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024968320	0	42	-2.0	-108.46	382.57	-2.49	-110.95
CN(CCN(C)C(=O)C1=CC(Cl)=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024969548	1	42	-2.0	-110.82	388.91	2.43	-108.39
CN(CCN(C)C(=O)C1=CC([O-])=CC(C#N)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969572	1	43	-2.0	-82.70	391.14	1.45	-81.25
CN(CCN(C)C(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969669	1	38	-2.0	-92.21	349.06	-1.69	-93.90
CN(CCN(C)C(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N-]C(=O)C(F)(F)F	REAL300024969733	0	41	-2.0	-83.57	387.29	-2.19	-85.76
CN(CCN(C)C(=O)C1=CC=C([O-])C=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969754	1	42	-2.0	-88.18	375.01	1.19	-86.99
CN(CCN(C)C(=O)C1=CC([O-])=CC(=O)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969760	0	41	-2.0	-85.01	375.04	0.62	-84.39
CN(CCN(C)C(=O)C1=CC=C(C#N)C([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969766	1	43	-2.0	-93.38	392.02	1.54	-91.84
CN(CCN(C)C(=O)CN1N=CC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969783	0	43	-2.0	-94.06	392.63	-3.62	-97.68
CN(CCN(C)C(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969856	0	40	-2.0	-97.39	367.87	-0.26	-97.65
CN(CCN(C)C(=O)C1=CC=CC(F)=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024969864	0	42	-2.0	-120.25	378.39	1.98	-118.27
CN(CCN(C)C(=O)C1=CC=CC([O-])=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024969948	1	42	-2.0	-114.66	378.62	1.19	-113.47
CN(CCN(C)C(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970041	0	39	-2.0	-84.22	354.75	-1.76	-85.98
CN(CCN(C)C(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)NN1	REAL300024970047	0	44	-2.0	-98.99	389.47	-0.62	-99.61
CN(CCN(C)C(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)[N-]N1	REAL300024970047	1	44	-2.0	-98.99	389.47	-0.62	-99.61
CN(CCN(C)C(=O)C1=CC(=O)N([O-])C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970130	0	42	-2.0	-100.39	376.67	1.64	-98.75
CN(CCN(C)C(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970152	0	38	-2.0	-84.23	349.54	-2.46	-86.69
CN(CCN(C)C(=O)C1=C([O-])C=CC=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970154	1	42	-2.0	-92.76	393.61	1.78	-90.98
CN(CCN(C)C(=O)C1=CC=CN([O-])C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970158	0	42	-2.0	-122.83	383.76	1.83	-121.00
CN(CCN(C)C(=O)C1=NC(N)=CC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970264	0	42	-2.0	-108.25	377.89	-2.01	-110.26
CN(CCN(C)C(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970307	0	42	-2.0	-85.29	386.24	1.67	-83.62
CN(CCN(C)C(=O)C1=CC(F)=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024970312	1	42	-2.0	-110.11	378.59	1.98	-108.13
CC1=CC=NC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300024970374	1	44	-2.0	-115.28	386.32	2.68	-112.60
CN(CCN(C)C(=O)C1=CC=CC(=S)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024970477	0	42	-2.0	-125.57	394.97	2.25	-123.32
CN(CCN(C)C(=O)C1=CC=C([O-])C=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970610	1	42	-2.0	-86.97	383.12	1.61	-85.36
CN(CCN(C)C(=O)CC1=NC([O-])=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970621	0	41	-2.0	-120.78	383.41	-2.13	-122.91
CN(CCN(C)C(=O)C1=C([O-])C=CC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970636	1	42	-2.0	-93.56	384.12	1.41	-92.15
CN(CCN(C)C(=O)CN1[N-]C(=O)C=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970637	0	44	-2.0	-109.02	398.68	-1.50	-110.52
CN(CCN(C)C(=O)C1=CC=C(F)C=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024970638	0	42	-2.0	-95.93	374.73	2.69	-93.24
CC1=CC=C(F)C([O-])=C1C(=O)N(C)CCN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970668	0	45	-2.0	-111.78	403.29	1.96	-109.82
CN(CCN(C)C(=O)C1=CC=CC(Cl)=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024970753	0	42	-2.0	-114.38	388.20	2.47	-111.91
CC1=CC(=O)C(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024970781	0	43	-2.0	-103.84	382.76	2.01	-101.83
CN(CCN(C)C(=O)C1=CC=CC(=O)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024970803	0	42	-2.0	-122.77	383.86	1.62	-121.15
CN(CCN(C)C(=O)C1=CC=C(C#N)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970826	0	42	-2.0	-102.36	393.47	-0.46	-102.82
CN(CCN(C)C(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970867	0	41	-2.0	-90.39	372.23	-1.60	-91.99
CN(CCN(C)C(=O)C1=C(F)C=CC(O)=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024970912	0	43	-2.0	-108.98	394.55	-0.54	-109.52
CN(CCN(C)C(=O)C1=C(F)C=CC(O)=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024970912	1	43	-2.0	-108.98	394.55	-0.54	-109.52
CN(CCN(C)C(=O)C1=CC(C#N)=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024970921	0	43	-2.0	-106.65	393.07	2.33	-104.32
CN(CCN(C)C(=O)C1=CN([O-])C(=O)NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971001	0	42	-2.0	-87.15	385.16	-0.82	-87.97
CN(CCN(C)C(=O)C1=CC=C(F)C(O)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971049	0	42	-2.0	-89.10	376.47	1.14	-87.96
CN(CCN(C)C(=O)C1=CC=C(F)C([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971049	1	42	-2.0	-89.10	376.47	1.14	-87.96
CN(CCN(C)C(=O)C1=CC=C(Cl)C=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971067	0	42	-2.0	-95.76	385.05	3.13	-92.63
CN(CCN(C)C(=O)C1=CC=C(Cl)C=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024971067	1	42	-2.0	-95.76	385.05	3.13	-92.63
CN(CCN(C)C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971130	0	40	-2.0	-93.99	367.16	-4.07	-98.06
CN(CCN(C)C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971130	1	40	-2.0	-91.96	367.71	-3.29	-95.25
CN(CCN(C)C(=O)C1=CN=C(N)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971183	1	42	-2.0	-107.20	381.92	-1.62	-108.82
COC1=NC(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300024971253	0	44	-2.0	-102.03	392.41	-3.09	-105.12
CN(CCN(C)C(=O)C1=CC=C(Cl)C([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971297	0	42	-2.0	-85.35	386.28	1.63	-83.72
CN(CCN(C)C(=O)C1=CC=NC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024971304	0	41	-2.0	-114.10	367.42	-0.10	-114.20
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971310	0	38	-2.0	-100.00	348.90	-1.65	-101.65
CC1=C([O-])N=C(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024971331	1	41	-2.0	-97.28	380.70	-0.96	-98.24
CN(CCN(C)C(=O)C(=O)C1=CC=C([O-])C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971418	1	44	-2.0	-97.31	400.59	1.18	-96.13
CN(CCN(C)C(=O)C1=CN=C(C=N[O-])S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971435	0	41	-2.0	-97.92	387.58	-0.92	-98.84
CN(CCN(C)C(=O)C1=CC(=O)NC([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971470	0	42	-2.0	-94.42	384.54	-3.04	-97.46
CCN1[N-]C(C(=O)N(C)CCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024971524	0	45	-2.0	-101.22	398.47	0.88	-100.34
CN(CCN(C)C(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971541	0	42	-2.0	-100.29	376.72	-0.04	-100.33
CN(CCN(C)C(=O)C1=CC=C([O-])C(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971670	1	42	-2.0	-88.61	376.43	1.18	-87.43
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CN(CCN(C)C(=O)C1=CC([O-])=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971782	0	39	-2.0	-95.19	361.65	-0.06	-95.25
CN(CCN(C)C(=O)C1=CN([O-])C(=O)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971797	0	42	-2.0	-106.22	384.12	1.85	-104.37
CN(CCN(C)C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971952	0	40	-2.0	-93.99	367.16	-4.07	-98.06
CN(CCN(C)C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024971952	1	40	-2.0	-91.96	367.71	-3.29	-95.25
CN(CCN(C)C(=O)CN1[N-]C(=O)C=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024972085	0	44	-2.0	-109.02	398.68	-1.50	-110.52
CN(CCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024972092	0	38	-2.0	-100.00	348.90	-1.65	-101.65
CN(CCN(C)C(=O)C1=CN([O-])C(=O)NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024972103	0	42	-2.0	-87.15	385.16	-0.82	-87.97
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CN1N=C(C(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024972920	0	45	-2.0	-96.41	402.57	-3.34	-99.75
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CN1[N-]C(C(=O)NC2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024973226	0	46	-2.0	-92.52	407.98	-1.83	-94.35
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CN1N=C(C(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024974296	0	45	-2.0	-95.63	403.06	-3.42	-99.05
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O=C(CSC1=NNC(=O)[N-]1)NC1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300024974416	0	42	-2.0	-91.37	375.18	-2.72	-94.09
CN1[N-]C(C(=O)NCC2CCCC2NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024974496	0	46	-2.0	-91.16	408.12	-1.83	-92.99
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC1CNC(=O)C1=CC([O-])=CS1	REAL300024974580	0	43	-2.0	-98.73	394.47	-1.08	-99.81
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCC1NC(=O)C1=CC(=O)[N-]O1	REAL300024974699	0	42	-2.0	-96.41	375.16	-2.72	-99.13
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300024975726	0	38	-2.0	-91.43	364.63	-10.85	-102.28
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O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300024976315	0	40	-2.0	-103.83	375.70	-4.71	-108.54
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300024976417	0	40	-2.0	-86.10	376.17	-9.62	-95.72
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=COC(=O)[N-]1	REAL300024976428	1	36	-2.0	-86.98	348.23	-9.79	-96.77
O=C(CSC1=NNC(=O)[N-]1)NCC(O)C[N-]C(=O)C(F)(F)C(F)(F)F	REAL300024976509	0	35	-2.0	-80.05	354.53	-6.46	-86.51
CCN1[N-]C(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024976580	0	43	-2.0	-90.04	397.61	-6.14	-96.18
CN1N=C(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024976618	0	39	-2.0	-92.91	370.32	-8.57	-101.48
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O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC(=O)N[N-]1	REAL300024976779	0	37	-2.0	-86.60	353.07	-8.79	-95.39
C[PH](C)([O-])C(=O)C(=O)NCC(O)CNC(=O)CSC1=NC(=O)NN1	REAL300024976784	0	42	-2.0	-91.42	385.99	-7.94	-99.36
C[PH](C)([O-])C(=O)C(=O)NCC(O)CNC(=O)CSC1=NC(=O)[N-]N1	REAL300024976784	1	42	-2.0	-91.42	385.99	-7.94	-99.36
O=C(CCC1=NC(=O)NN1)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976808	0	42	-2.0	-97.51	388.99	-9.12	-106.63
O=C(CCC1=NC(=O)[N-]N1)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024976808	1	42	-2.0	-97.51	388.99	-9.12	-106.63
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC=CN([O-])C1=O	REAL300024976811	0	40	-2.0	-98.06	373.29	-4.55	-102.61
CC1SC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)=NC1=O	REAL300024976835	0	39	-2.0	-93.38	379.60	-8.67	-102.05
CC1=C([O-])N=C(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024976835	1	39	-2.0	-93.38	379.60	-8.67	-102.05
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300024976864	0	40	-2.0	-104.33	376.08	-4.72	-109.05
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300024976893	0	40	-2.0	-118.00	373.14	-3.73	-121.73
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)CC1=NC([O-])=CS1	REAL300024977040	0	39	-2.0	-106.68	379.58	-8.87	-115.55
CC1=CC(=O)C(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024977247	0	41	-2.0	-90.17	381.78	-4.98	-95.15
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COC1=NC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300024977365	0	42	-2.0	-91.09	393.79	-10.78	-101.87
CN1[N-]C(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300024977490	0	40	-2.0	-89.24	375.88	-7.08	-96.32
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=NC=CC=C1[O-]	REAL300024977741	1	39	-2.0	-98.79	365.12	-5.34	-104.13
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300024977853	0	38	-2.0	-91.43	364.63	-10.85	-102.28
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)CN1C(=O)[N-]NC1=O	REAL300024977987	0	40	-2.0	-92.91	378.74	-9.20	-102.11
N#CC1=CC([O-])=CC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024979140	1	41	-2.0	-84.95	390.90	-4.91	-89.86
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=COC(=O)[N-]1	REAL300024979228	1	36	-2.0	-86.98	348.23	-9.79	-96.77
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC=C([O-])C=C1F	REAL300024979309	1	40	-2.0	-90.96	374.57	-5.19	-96.15
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC([O-])=CC(=O)O1	REAL300024979314	0	39	-2.0	-87.85	373.38	-6.04	-93.89
N#CC1=CC=C(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C=C1[O-]	REAL300024979319	1	41	-2.0	-95.04	390.20	-4.83	-99.87
O=C(CCC1=NC(=O)[N-]N1)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024979391	1	42	-2.0	-97.51	388.99	-9.12	-106.63
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=C[N-]N=CC1=O	REAL300024979404	0	38	-2.0	-79.53	357.29	-6.63	-86.16
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC=CC(F)=C1[O-]	REAL300024979412	0	40	-2.0	-104.16	374.11	-3.58	-107.74
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC=CC([O-])=C1F	REAL300024979491	1	40	-2.0	-102.09	374.43	-5.21	-107.30
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC(=O)N[N-]1	REAL300024979579	0	37	-2.0	-86.60	353.07	-8.79	-95.39
C[PH](C)([O-])C(=O)C(=O)NCC(O)CNC(=O)CSC1=NC(=O)NN1	REAL300024979585	0	42	-2.0	-91.42	385.99	-7.94	-99.36
C[PH](C)([O-])C(=O)C(=O)NCC(O)CNC(=O)CSC1=NC(=O)[N-]N1	REAL300024979585	1	42	-2.0	-91.42	385.99	-7.94	-99.36
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300024979664	0	40	-2.0	-104.33	376.08	-4.72	-109.05
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=NC(=O)N[N-]1	REAL300024979684	0	36	-2.0	-86.73	347.66	-10.08	-96.81
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC=CN([O-])C1=O	REAL300024979689	0	40	-2.0	-98.06	373.29	-4.55	-102.61
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC(F)=CC=C1O	REAL300024979827	0	40	-2.0	-95.42	374.30	-3.57	-98.99
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC(F)=CC=C1[O-]	REAL300024979827	1	40	-2.0	-95.42	374.30	-3.57	-98.99
CC1=CC=NC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300024979883	0	42	-2.0	-98.66	385.44	-4.64	-103.30
CC1=CC=NC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300024979883	1	42	-2.0	-98.66	385.44	-4.64	-103.30
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O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=C(O)C=CC=C1F	REAL300024980121	0	40	-2.0	-94.25	379.79	-5.30	-99.55
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=C([O-])C=CC=C1F	REAL300024980121	1	40	-2.0	-94.25	379.79	-5.30	-99.55
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)CN1[N-]C(=O)C=CC1=O	REAL300024980122	0	42	-2.0	-93.67	394.84	-8.21	-101.88
CC1=CC=C(F)C([O-])=C1C(=O)NCC(O)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300024980152	0	43	-2.0	-98.95	399.23	-4.75	-103.70
CC1=CC(=O)C(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300024980254	0	41	-2.0	-90.17	381.78	-4.98	-95.15
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300024980274	0	40	-2.0	-118.00	373.14	-3.73	-121.73
N#CC1=CC=C(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300024980297	0	40	-2.0	-81.08	383.06	-6.77	-87.85
CN1N=C(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300024980331	0	39	-2.0	-92.91	370.32	-8.57	-101.48
N#CC1=CC=C([O-])C(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300024980381	0	41	-2.0	-93.02	388.72	-3.22	-96.24
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC=C(F)C(O)=C1	REAL300024980502	0	40	-2.0	-91.05	376.27	-5.21	-96.26
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC=C(F)C([O-])=C1	REAL300024980502	1	40	-2.0	-91.05	376.27	-5.21	-96.26
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024980572	0	38	-2.0	-89.87	366.19	-11.84	-101.71
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024980572	1	38	-2.0	-83.82	366.83	-11.10	-94.92
NC1=NC=C(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300024980618	1	40	-2.0	-86.05	371.50	-7.91	-93.96
COC1=NC(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300024980682	0	42	-2.0	-91.09	393.79	-10.78	-101.87
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC=NC=C1[O-]	REAL300024980728	1	39	-2.0	-98.27	363.17	-5.44	-103.71
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C1=CC(=O)[N-]O1	REAL300024980733	0	36	-2.0	-90.94	347.81	-8.32	-99.26
CC1=C([O-])N=C(C(=O)NCC(O)CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300024980751	1	39	-2.0	-93.38	379.60	-8.67	-102.05
O=C(CSC1=NNC(=O)[N-]1)NCC(O)CNC(=O)C(=O)C1=CC=C([O-])C=C1	REAL300024980834	1	42	-2.0	-89.61	390.38	-5.40	-95.01
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CC(CCNC(=O)C1=CC([O-])=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988468	0	39	-2.0	-100.87	371.46	-2.08	-102.95
CC(CCNC(=O)C1=CN([O-])C(=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300024988483	0	42	-2.0	-109.42	384.87	-0.48	-109.90
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024988638	0	40	-2.0	-95.49	375.36	-7.60	-103.09
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300024988638	1	40	-2.0	-89.52	376.00	-6.84	-96.36
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300024988771	0	44	-2.0	-99.70	404.02	-3.96	-103.66
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300024988778	0	38	-2.0	-96.78	356.97	-4.06	-100.84
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300024988789	0	42	-2.0	-91.82	387.64	-2.84	-94.66
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300024989920	0	40	-2.0	-97.05	366.15	-4.89	-101.94
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C(=O)[N-]NC1=O	REAL300024990000	0	42	-2.0	-98.22	384.72	-3.71	-101.93
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300024990553	0	42	-2.0	-100.19	382.18	0.45	-99.74
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300024990664	0	42	-2.0	-88.77	387.45	-4.22	-92.99
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300024990675	1	38	-2.0	-87.98	350.31	-2.37	-90.35
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(CC)[N-]1	REAL300024990840	0	45	-2.0	-94.15	399.74	-0.22	-94.37
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(=S)N1[O-]	REAL300024990860	0	42	-2.0	-128.95	384.33	2.20	-126.75
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300024990883	0	41	-2.0	-97.72	372.33	-2.69	-100.41
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]N=CC1=O	REAL300024990965	0	40	-2.0	-92.27	365.03	-1.71	-93.98
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300024991056	0	39	-2.0	-90.33	354.74	-2.82	-93.15
CCN(CCNC(=O)CSC1=NC(=O)NN1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300024991061	0	44	-2.0	-93.97	389.41	-2.25	-96.22
CCN(CCNC(=O)CSC1=NC(=O)[N-]N1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300024991061	1	44	-2.0	-93.97	389.41	-2.25	-96.22
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CCC1=NNC(=O)[N-]1	REAL300024991086	0	44	-2.0	-93.71	391.02	-3.18	-96.89
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CN([O-])C1=O	REAL300024991089	0	42	-2.0	-110.62	386.67	0.67	-109.95
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)C(C)S1	REAL300024991115	0	41	-2.0	-93.71	382.09	-1.80	-95.51
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC([O-])=C(C)S1	REAL300024991115	1	41	-2.0	-93.71	382.09	-1.80	-95.51
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300024991144	0	42	-2.0	-107.48	375.95	0.35	-107.13
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300024991174	0	42	-2.0	-125.85	373.22	1.19	-124.66
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C[N-]C(=O)C(F)(F)F	REAL300024991288	0	41	-2.0	-90.38	385.13	-3.55	-93.93
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=NC([O-])=CS1	REAL300024991331	0	41	-2.0	-108.53	381.52	-3.47	-112.00
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300024991357	0	43	-2.0	-99.67	395.06	-4.83	-104.50
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=N[N-]C(C)=CC1=O	REAL300024991552	0	43	-2.0	-94.83	383.61	0.95	-93.88
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300024991565	0	38	-2.0	-88.71	349.67	-3.14	-91.85
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C(C=N[O-])S1	REAL300024991671	0	41	-2.0	-105.04	386.67	-2.33	-107.37
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]C(OC)=N1	REAL300024991683	0	44	-2.0	-95.18	385.82	-3.99	-99.17
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300024991818	0	42	-2.0	-93.29	378.00	-1.15	-94.44
CCN(CCNC(=O)C1=NC=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024992070	1	41	-2.0	-104.71	367.06	0.10	-104.61
CCN(CCNC(=O)C1=NNC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992189	0	40	-2.0	-94.98	366.56	-5.43	-100.41
CCN(CCNC(=O)CN1C(=O)[N-]NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024992339	0	42	-2.0	-98.64	380.68	-3.76	-102.40
CCN(CCNC(=O)C1=CC(Cl)=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024993567	1	42	-2.0	-101.86	386.56	2.32	-99.54
CCN(CCNC(=O)C1=CC([O-])=CC(C#N)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993591	1	43	-2.0	-86.21	396.88	0.66	-85.55
CCN(CCNC(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993688	1	38	-2.0	-88.60	350.18	-4.35	-92.95
CCN(CCNC(=O)C[N-]C(=O)C(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993752	0	41	-2.0	-89.30	389.16	-3.35	-92.65
CCN(CCNC(=O)C1=CC=C([O-])C=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993773	1	42	-2.0	-93.59	380.54	0.38	-93.21
CCN(CCNC(=O)C1=CC([O-])=CC(=O)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993779	0	41	-2.0	-88.74	379.36	-0.47	-89.21
CCN(CCNC(=O)C1=CC=C(C#N)C([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993785	1	43	-2.0	-98.91	392.14	0.61	-98.30
CCN(CCNC(=O)CN1N=CC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993802	0	43	-2.0	-100.05	391.02	-4.88	-104.93
CCN(CCNC(=O)CCC1=NC(=O)[N-]N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993861	1	44	-2.0	-99.13	390.94	-3.68	-102.81
CCN(CCNC(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993875	0	40	-2.0	-82.47	359.23	-1.20	-83.67
CCN(CCNC(=O)C1=CC=CC(F)=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024993883	0	42	-2.0	-109.83	380.08	1.98	-107.85
CCN(CCNC(=O)C1=CC=CC([O-])=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024993967	1	42	-2.0	-106.13	380.41	0.36	-105.77
CCN(CCNC(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994060	0	39	-2.0	-89.49	355.01	-3.36	-92.85
CCN(CCNC(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)NN1	REAL300024994066	0	44	-2.0	-93.00	393.22	-2.22	-95.22
CCN(CCNC(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)[N-]N1	REAL300024994066	1	44	-2.0	-93.00	393.22	-2.22	-95.22
CCN(CCNC(=O)C1=CC(=O)N([O-])C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994149	0	42	-2.0	-106.45	382.05	0.83	-105.62
CCN(CCNC(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994171	0	38	-2.0	-88.30	353.63	-4.53	-92.83
CCN(CCNC(=O)C1=C([O-])C=CC=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994173	1	42	-2.0	-95.23	395.26	0.64	-94.59
CCN(CCNC(=O)C1=CC=CN([O-])C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994177	0	42	-2.0	-99.43	375.24	0.88	-98.55
CCN(CCNC(=O)C1=NC(N)=CC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994283	0	42	-2.0	-98.91	379.17	-3.92	-102.83
CCN(CCNC(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994326	0	42	-2.0	-89.48	392.00	0.87	-88.61
CCN(CCNC(=O)C1=CC(F)=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024994331	1	42	-2.0	-101.18	376.24	1.86	-99.32
CCN(CCNC(=O)C1=NC=CC(C)=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024994393	1	44	-2.0	-103.84	391.42	0.92	-102.92
CCN(CCNC(=O)C1=CC=CC(=S)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024994496	0	42	-2.0	-126.93	390.23	2.88	-124.05
CCN(CCNC(=O)C1=CC=C([O-])C=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994629	1	42	-2.0	-91.88	388.51	0.82	-91.06
CCN(CCNC(=O)CC1=NC([O-])=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994640	0	41	-2.0	-108.80	385.55	-3.32	-112.12
CCN(CCNC(=O)C1=C([O-])C=CC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994655	1	42	-2.0	-101.84	385.76	0.26	-101.58
CCN(CCNC(=O)CN1[N-]C(=O)C=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994656	0	44	-2.0	-99.30	396.79	-2.78	-102.08
CCN(CCNC(=O)C1=CC=C(F)C=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024994657	0	42	-2.0	-103.81	380.26	1.99	-101.82
CCN(CCNC(=O)C1=C(C)C=CC(F)=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024994687	0	45	-2.0	-108.80	401.17	0.69	-108.11
CCN(CCNC(=O)C1=CC=CC(Cl)=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024994772	0	42	-2.0	-104.43	389.89	2.45	-101.98
CCN(CCNC(=O)C1=N[N-]C(C)=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994800	0	43	-2.0	-94.70	383.73	0.44	-94.26
CCN(CCNC(=O)C1=CC=CC(=O)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024994822	0	42	-2.0	-123.47	379.12	1.84	-121.63
CCN(CCNC(=O)C1=CC=C(C#N)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994845	0	42	-2.0	-83.32	385.00	-1.33	-84.65
CCN(CCNC(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994886	0	41	-2.0	-95.47	376.29	-3.03	-98.50
CCN(CCNC(=O)C1=C(F)C=CC(O)=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024994931	0	43	-2.0	-98.22	392.47	-1.79	-100.01
CCN(CCNC(=O)C1=C(F)C=CC(O)=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024994931	1	43	-2.0	-98.22	392.47	-1.79	-100.01
CCN(CCNC(=O)C1=CC(C#N)=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024994940	0	43	-2.0	-98.41	390.66	2.21	-96.20
CCN(CCNC(=O)C1=CN([O-])C(=O)NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995020	0	42	-2.0	-89.51	380.49	-1.64	-91.15
CCN(CCNC(=O)C1=CC=C(F)C(O)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995068	0	42	-2.0	-92.01	382.25	0.34	-91.67
CCN(CCNC(=O)C1=CC=C(F)C([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995068	1	42	-2.0	-92.01	382.25	0.34	-91.67
CCN(CCNC(=O)C(F)(F)C(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995078	0	37	-2.0	-85.79	360.32	-0.87	-86.66
CCN(CC[N-]C(=O)C(F)(F)C(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995078	1	37	-2.0	-85.79	360.32	-0.87	-86.66
CCN(CCNC(=O)C1=CC=C(Cl)C=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995086	0	42	-2.0	-103.61	390.58	2.44	-101.17
CCN(CCNC(=O)C1=CC=C(Cl)C=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024995086	1	42	-2.0	-103.61	390.58	2.44	-101.17
CCN(CCNC(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995149	0	40	-2.0	-90.20	368.13	-6.42	-96.62
CCN(CCNC(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995149	1	40	-2.0	-85.33	372.81	-5.54	-90.87
CCN(CCNC(=O)C1=CN=C(N)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995202	1	42	-2.0	-89.03	373.45	-2.49	-91.52
CCN(CCNC(=O)C1=CC(=O)[N-]C(OC)=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995272	0	44	-2.0	-93.33	399.76	-5.22	-98.55
CCN(CCNC(=O)C1=CC=C(Cl)C([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995316	0	42	-2.0	-88.60	392.05	0.83	-87.77
CCN(CCNC(=O)C1=CC=NC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024995323	1	41	-2.0	-104.17	365.12	-0.02	-104.19
CCN(CCNC(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995329	0	38	-2.0	-92.75	349.75	-2.88	-95.63
CCN(CCNC(=O)C1=NC([O-])=C(C)S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995350	1	41	-2.0	-94.39	381.55	-3.22	-97.61
CCN(CCNC(=O)C(=O)C1=CC=C([O-])C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995437	1	44	-2.0	-91.47	396.35	0.15	-91.32
CCN(CCNC(=O)C1=CN=C(C=N[O-])S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995454	0	41	-2.0	-100.49	394.42	-1.65	-102.14
CCN(CCNC(=O)C1=CC(=O)NC([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995489	0	42	-2.0	-88.49	378.11	-4.19	-92.68
CCN(CCNC(=O)C1=CC(=O)N(CC)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995543	0	45	-2.0	-93.16	399.56	-0.72	-93.88
CCN(CCNC(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995560	0	42	-2.0	-92.33	377.83	-1.65	-93.98
CCN(CCNC(=O)C1=CC=C([O-])C(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995689	1	42	-2.0	-92.63	382.21	0.37	-92.26
CCN(CCNC(=O)CC1=C(C)[N-]N(C)C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995749	0	48	-2.0	-104.17	418.49	-0.31	-104.48
CCN(CCNC(=O)C1=NC=C(C)C=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300024995783	1	44	-2.0	-106.27	388.50	0.74	-105.53
CCN(CCNC(=O)C1=CC([O-])=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995801	0	39	-2.0	-98.47	368.27	-0.77	-99.24
CCN(CCNC(=O)C1=CN([O-])C(=O)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300024995816	0	42	-2.0	-106.44	381.68	0.82	-105.62
CCN(CCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300024995971	0	40	-2.0	-91.03	367.99	-4.77	-95.80
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C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300025000493	0	39	-2.0	-89.13	363.60	-3.49	-92.62
C[C@H](CNC(=O)C1=NC=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025000749	1	38	-2.0	-96.30	352.84	-1.77	-98.07
C[C@H](CNC(=O)CCN1C=C[N-]C(=O)C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025000861	1	44	-2.0	-97.19	402.42	-3.00	-100.19
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C[C@H](CNC(=O)C1=NNC(=O)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025000900	0	37	-2.0	-90.59	352.34	-7.28	-97.87
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C[C@H](CNC(=O)CN1C(=O)[N-]NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025001111	0	39	-2.0	-91.35	366.47	-5.62	-96.97
C[C@H](CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025002226	1	44	-2.0	-90.62	397.00	-2.11	-92.73
C[C@H](CNC(=O)CCC1=NNC(=O)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003018	0	43	-2.0	-90.58	396.68	-7.15	-97.73
C[C@H](CNC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003028	0	41	-2.0	-92.27	383.72	0.12	-92.15
C[C@H](CNC(=O)C1=CC(Cl)=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003042	1	39	-2.0	-93.28	372.34	0.45	-92.83
C[C@H](CNC(=O)C1=CC([O-])=CC(C#N)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003072	1	40	-2.0	-89.55	378.62	-1.33	-90.88
C[C@H](CNC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003154	0	41	-2.0	-99.72	381.62	1.19	-98.53
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C[C@H](CNC(=O)C1=C([O-])C=CC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025003920	1	39	-2.0	-93.15	377.00	-1.35	-94.50
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C[C@H](CNC(=O)C1=CC(F)=CC=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004146	0	39	-2.0	-93.28	362.02	-0.01	-93.29
C[C@H](CNC(=O)C1=CC(F)=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004146	1	39	-2.0	-93.28	362.02	-0.01	-93.29
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C[C@H](CNC(=O)C1=CC=CC(=S)N1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004405	0	39	-2.0	-114.68	371.98	0.89	-113.79
C[C@H](CNC(=O)C1=CC=C([O-])C(Cl)=N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004555	0	38	-2.0	-87.42	371.15	-2.93	-90.35
C[C@H](CNC(=O)C1=CC=C([O-])C=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004615	1	39	-2.0	-90.39	370.26	-1.17	-91.56
C[C@H](CNC(=O)C1=CC(C#N)=C(N)C=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004617	0	42	-2.0	-93.57	389.32	-1.79	-95.36
C[C@H](CNC(=O)CC1=NC([O-])=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004629	0	38	-2.0	-103.74	367.30	-5.30	-109.04
C[C@H](CNC(=O)C1=C([O-])C=CC=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004650	1	39	-2.0	-93.69	367.51	-1.73	-95.42
C[C@H](CNC(=O)CN1[N-]C(=O)C=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004653	0	41	-2.0	-92.22	382.57	-4.63	-96.85
C[C@H](CNC(=O)C1=CC=C(F)C=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004655	0	39	-2.0	-94.83	362.01	0.00	-94.83
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C[C@H](CNC(=O)CC1SC(=O)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004787	0	39	-2.0	-86.19	374.56	-6.07	-92.26
C[C@H](CNC(=O)C1=CC=C([O-])C(F)=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004817	0	39	-2.0	-92.67	368.38	-1.53	-94.20
C[C@H](CNC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004820	1	40	-2.0	-80.93	377.32	-2.89	-83.82
C[C@H](CNC(=O)C1=CC=CC(Cl)=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004826	0	39	-2.0	-95.09	371.64	0.46	-94.63
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C[C@H](CNC(=O)C=C([O-])C1=CC=C(O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004867	0	44	-2.0	-99.39	399.29	-1.57	-100.96
C[C@H](CNC(=O)C1=CC=CC(=O)N1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004897	0	39	-2.0	-112.13	360.87	-0.14	-112.27
C[C@H](CNC(=O)C1=CC=C(C#N)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004936	0	39	-2.0	-85.57	370.78	-3.20	-88.77
C[C@H](CNC(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025004964	0	41	-2.0	-88.36	382.05	-0.05	-88.41
C[C@H](CNC(=O)C1=NN(C)C(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005005	0	38	-2.0	-92.94	358.03	-5.01	-97.95
C[C@H](CNC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005036	0	41	-2.0	-88.48	385.49	-3.84	-92.32
C[C@H](CNC(=O)C1=C(F)C=CC(O)=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005078	0	40	-2.0	-94.67	378.25	-3.66	-98.33
C[C@H](CNC(=O)C1=C(F)C=CC(O)=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005078	1	40	-2.0	-94.67	378.25	-3.66	-98.33
C[C@H](CNC(=O)C1=CC(C#N)=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025005088	0	40	-2.0	-91.69	376.44	0.34	-91.35
C[C@H](CNC(=O)C1=CC=C([O-])C(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006217	1	39	-2.0	-93.62	363.95	-1.62	-95.24
C[C@H](CNC(=O)C1=CC(F)=C([O-])C(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006276	0	39	-2.0	-93.89	370.16	-1.54	-95.43
C[C@H](CNC(=O)C1=CC=NC(Cl)=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006282	0	38	-2.0	-93.11	367.07	-1.43	-94.54
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CC1=CN=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300025006347	1	41	-2.0	-97.61	374.28	-1.14	-98.75
C[C@H](CNC(=O)C1=CC([O-])=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006378	0	36	-2.0	-95.62	350.02	-2.76	-98.38
C[C@H](CNC(=O)C1=CN([O-])C(=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025006399	0	39	-2.0	-102.38	363.42	-1.15	-103.53
CC1=C(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C(=S)[N-]C(=O)N1	REAL300025006428	1	41	-2.0	-97.81	390.70	-3.99	-101.80
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025006634	0	37	-2.0	-91.90	353.91	-8.25	-100.15
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025006634	1	37	-2.0	-84.51	354.55	-7.50	-92.01
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300025006838	0	41	-2.0	-93.49	382.57	-4.63	-98.12
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300025006851	0	35	-2.0	-91.91	335.53	-4.71	-96.62
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300025006870	0	39	-2.0	-87.44	366.19	-3.49	-90.93
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300025006902	1	40	-2.0	-78.34	377.25	-2.88	-81.22
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300025007404	1	44	-2.0	-87.55	396.74	-2.03	-89.58
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1=NNC(=O)[N-]C1=O	REAL300025008197	0	43	-2.0	-91.02	396.68	-7.16	-98.18
CC(=O)[N-]C1=NC(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300025008198	1	41	-2.0	-84.68	390.90	-3.64	-88.32
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300025008335	1	44	-2.0	-95.39	402.43	-3.00	-98.39
COC1=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)NC(=O)[N-]C1=O	REAL300025008436	1	42	-2.0	-92.71	386.11	-5.97	-98.68
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NNC(=O)[N-]C1=O	REAL300025008539	0	37	-2.0	-90.87	352.34	-7.28	-98.15
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C(=O)[N-]NC1=O	REAL300025008649	0	39	-2.0	-91.86	366.46	-5.61	-97.47
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N[N-]1	REAL300025010152	0	36	-2.0	-86.78	340.78	-5.20	-91.98
C[C@@H](CNC(=O)CSC1=NC(=O)[N-]N1)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300025010157	1	41	-2.0	-94.58	374.97	-4.17	-98.75
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC(=O)N(C)[N-]1	REAL300025010160	0	42	-2.0	-97.48	384.28	-2.86	-100.34
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CN([O-])C1=O	REAL300025010203	0	39	-2.0	-100.06	360.99	-0.97	-101.03
CSC1=NC=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300025010222	1	41	-2.0	-86.90	387.15	-3.17	-90.07
CC1=C([O-])N=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025010246	1	38	-2.0	-95.44	367.32	-5.08	-100.52
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300025010263	1	38	-2.0	-83.47	370.94	-1.91	-85.38
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N([O-])C=C1	REAL300025010285	0	39	-2.0	-104.49	363.80	-1.14	-105.63
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(=O)N1[O-]	REAL300025010340	0	39	-2.0	-114.97	360.91	-0.14	-115.11
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N-]C(=O)C(F)(F)F	REAL300025010506	0	38	-2.0	-86.00	370.91	-5.33	-91.33
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=C([O-])N=C(N)S1	REAL300025010507	0	40	-2.0	-105.87	382.12	-6.16	-112.03
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=NC([O-])=CS1	REAL300025010564	0	38	-2.0	-106.67	367.30	-5.30	-111.97
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1N=CC(=O)[N-]C1=O	REAL300025010601	0	40	-2.0	-97.20	376.80	-6.73	-103.93
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(Cl)C(=O)[N-]S1	REAL300025010676	0	35	-2.0	-88.29	358.35	-3.90	-92.19
COCC1=NC=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300025010777	0	44	-2.0	-86.77	398.78	-4.43	-91.20
COCC1=NC=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300025010777	1	44	-2.0	-86.77	398.78	-4.43	-91.20
CC1=CC(=O)C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025010875	0	40	-2.0	-89.33	369.50	-1.42	-90.75
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NNC(=O)[N-]1	REAL300025010893	0	35	-2.0	-90.21	335.27	-6.67	-96.88
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300025010917	0	40	-2.0	-88.36	377.97	-2.17	-90.53
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300025010917	1	40	-2.0	-88.36	377.97	-2.17	-90.53
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C(C=N[O-])S1	REAL300025011047	0	38	-2.0	-100.15	376.16	-3.62	-103.77
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300025011274	0	39	-2.0	-89.13	363.60	-3.49	-92.62
C[C@@H](CNC(=O)C1=NC=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011530	1	38	-2.0	-96.31	352.84	-1.77	-98.08
C[C@@H](CNC(=O)CCN1C=C[N-]C(=O)C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011642	1	44	-2.0	-98.37	402.42	-3.00	-101.37
CC(=O)[N-]C1=NC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300025011653	1	41	-2.0	-86.84	390.93	-3.66	-90.50
C[C@@H](CNC(=O)C1=NNC(=O)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011681	0	37	-2.0	-90.57	352.34	-7.28	-97.85
COC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)NC(=O)[N-]C1=O	REAL300025011730	1	42	-2.0	-94.22	386.14	-5.98	-100.20
C[C@@H](CNC(=O)CN1C(=O)[N-]NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025011892	0	39	-2.0	-91.15	366.46	-5.62	-96.77
C[C@@H](CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013007	1	44	-2.0	-90.55	397.00	-2.11	-92.66
C[C@@H](CNC(=O)CCC1=NNC(=O)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013799	0	43	-2.0	-90.63	396.68	-7.15	-97.78
C[C@@H](CNC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013809	0	41	-2.0	-92.27	383.73	0.12	-92.15
C[C@@H](CNC(=O)C1=CC(Cl)=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013823	1	39	-2.0	-93.28	372.33	0.44	-92.84
C[C@@H](CNC(=O)C1=CC([O-])=CC(C#N)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013853	1	40	-2.0	-89.55	378.62	-1.33	-90.88
C[C@@H](CNC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013935	0	41	-2.0	-99.67	381.62	1.18	-98.49
C[C@@H](CNC(=O)C1=COC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025013989	1	35	-2.0	-91.05	335.96	-6.21	-97.26
C[C@@H](CNC(=O)C1=CC=CC([O-])=C1[N+](=O)[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014062	0	41	-2.0	-99.93	384.77	0.14	-99.79
C[C@@H](CNC(=O)C[N-]C(=O)C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014078	0	38	-2.0	-86.35	370.91	-5.34	-91.69
C[C@@H](CNC(=O)CC1=C([O-])N=C(N)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014079	0	40	-2.0	-104.06	382.11	-6.16	-110.22
C[C@@H](CNC(=O)C1=C(F)C=C([O-])C=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014090	0	39	-2.0	-87.13	374.04	-1.74	-88.87
C[C@@H](CNC(=O)C1=CC=C([O-])C=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014111	1	39	-2.0	-91.18	362.29	-1.61	-92.79
C[C@@H](CNC(=O)C1=CC([O-])=CC(=O)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014119	0	38	-2.0	-90.86	361.10	-2.46	-93.32
C[C@@H](CNC(=O)C1=CC=C(C#N)C([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014129	1	40	-2.0	-93.01	377.92	-1.27	-94.28
C[C@@H](CNC(=O)C1=CC(Cl)=NC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014133	0	38	-2.0	-90.14	367.76	-1.46	-91.60
C[C@@H](CNC(=O)C1=C(N)[N-]C(=O)C(C#N)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014140	0	41	-2.0	-90.03	382.22	-4.30	-94.33
C[C@@H](CNC(=O)CN1N=CC(=O)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014157	0	40	-2.0	-95.05	376.80	-6.73	-101.78
C[C@@H](CNC(=O)C1=C[N-]N=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014263	0	37	-2.0	-81.97	345.01	-3.06	-85.03
C[C@@H](CNC(=O)C1=CC=CC(F)=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014275	0	39	-2.0	-99.73	361.83	-0.01	-99.74
C[C@@H](CNC(=O)C1=CC=CC([O-])=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014391	1	39	-2.0	-98.74	362.15	-1.63	-100.37
C[C@@H](CNC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014467	0	41	-2.0	-95.22	383.76	0.09	-95.13
C[C@@H](CNC(=O)C1=CC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014533	0	36	-2.0	-87.69	340.78	-5.23	-92.92
C[C@@H](CNC(=O)C(=O)[PH](C)(C)[O-])NC(=O)CSC1=NC(=O)NN1	REAL300025014541	0	41	-2.0	-91.72	374.97	-4.20	-95.92
C[C@@H](CNC(=O)C(=O)[PH](C)(C)[O-])NC(=O)CSC1=NC(=O)[N-]N1	REAL300025014541	1	41	-2.0	-91.72	374.97	-4.20	-95.92
COCC1=NC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300025014604	0	44	-2.0	-89.82	398.84	-4.46	-94.28
COCC1=NC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300025014604	1	44	-2.0	-89.82	398.84	-4.46	-94.28
C[C@@H](CNC(=O)C1=CC(=O)N([O-])C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014662	0	39	-2.0	-103.75	363.80	-1.16	-104.91
C[C@@H](CNC(=O)C1=NC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014696	0	35	-2.0	-90.20	335.38	-6.52	-96.72
C[C@@H](CNC(=O)C1=C(O)C=CC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014701	0	39	-2.0	-93.22	377.00	-1.35	-94.57
C[C@@H](CNC(=O)C1=C([O-])C=CC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014701	1	39	-2.0	-93.22	377.00	-1.35	-94.57
C[C@@H](CNC(=O)C1=CC=CN([O-])C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014708	0	39	-2.0	-105.22	361.02	-0.99	-106.21
C[C@@H](CNC(=O)C1=C(F)C=CC(O)=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014740	0	39	-2.0	-93.34	373.88	-1.76	-95.10
C[C@@H](CNC(=O)C1=C(F)C=CC([O-])=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014740	1	39	-2.0	-93.34	373.88	-1.76	-95.10
C[C@@H](CNC(=O)C1=CC(F)=CC=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014927	0	39	-2.0	-93.29	362.02	-0.01	-93.30
C[C@@H](CNC(=O)C1=CC(F)=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025014927	1	39	-2.0	-93.29	362.02	-0.01	-93.30
CC1=CC=NC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300025015013	0	41	-2.0	-96.36	373.16	-1.08	-97.44
CC1=CC=NC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300025015013	1	41	-2.0	-96.36	373.16	-1.08	-97.44
C[C@@H](CNC(=O)C1=NC(=O)[N-]C(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016174	0	37	-2.0	-94.75	353.91	-8.28	-103.03
C[C@@H](CNC(=O)C1=NC(=O)NC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016174	1	37	-2.0	-86.45	354.56	-7.52	-93.97
C[C@@H](CNC(=O)C1=CC=C2N=NN([O-])C2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016207	0	41	-2.0	-98.01	379.98	-2.65	-100.66
C[C@@H](CNC(=O)C1=C(Cl)C(=O)[N-]S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016247	0	35	-2.0	-88.94	358.35	-3.92	-92.86
C[C@@H](CNC(=O)C1=CN=C(N)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016269	1	39	-2.0	-89.66	359.23	-4.35	-94.01
CC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)[N-]C(=O)C(C#N)=C1	REAL300025016300	0	42	-2.0	-89.94	390.57	-2.55	-92.49
C[C@@H](CNC(=O)C1=CC=C(F)C([O-])=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016320	0	39	-2.0	-98.81	368.34	-1.56	-100.37
C[C@@H](CNC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016380	1	40	-2.0	-90.02	377.97	-2.20	-92.22
COC1=NC(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300025016385	0	41	-2.0	-90.49	381.51	-7.21	-97.70
C[C@@H](CNC(=O)C1=CC=C2N[N-]N=C2C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016387	0	41	-2.0	-92.63	376.17	-1.73	-94.36
C[C@@H](CNC(=O)C1=NC=CC(Cl)=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016400	0	38	-2.0	-92.57	369.04	-1.26	-93.83
C[C@@H](CNC(=O)CC1=CC=C([O-])C(Cl)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016406	1	42	-2.0	-95.69	398.45	-0.47	-96.16
C[C@@H](CNC(=O)C1=CC=C(Cl)C([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016446	0	39	-2.0	-92.76	373.79	-1.16	-93.92
C[C@@H](CNC(=O)C1=CC=NC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016457	1	38	-2.0	-94.87	350.90	-1.88	-96.75
C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016467	0	35	-2.0	-93.11	335.53	-4.74	-97.85
CC1=C([O-])N=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025016500	1	38	-2.0	-99.05	367.33	-5.09	-104.14
C[C@@H](CNC(=O)C(=O)C1=CC=C([O-])C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016616	1	41	-2.0	-89.53	378.10	-1.84	-91.37
C[C@@H](CNC(=O)C1=CN=C(C=N[O-])S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016648	0	38	-2.0	-100.68	376.16	-3.64	-104.32
C[C@@H](CNC(=O)C1=CC(=O)C=C(Cl)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016679	1	38	-2.0	-84.28	370.94	-1.93	-86.21
CSC1=NC=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300025016704	1	41	-2.0	-90.47	387.15	-3.18	-93.65
C[C@@H](CNC(=O)C1=CC(=O)NC([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016711	0	39	-2.0	-88.52	363.89	-6.06	-94.58
CCN1[N-]C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025016785	0	42	-2.0	-90.06	385.33	-2.59	-92.65
C[C@@H](CNC(=O)C1=CC(=O)N(C)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016807	0	39	-2.0	-89.73	363.60	-3.52	-93.25
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016822	0	39	-2.0	-91.80	377.77	-5.38	-97.18
CC1=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=S)[N-]C(=O)N1	REAL300025016824	1	41	-2.0	-101.56	391.21	-4.10	-105.66
C[C@@H](CNC(=O)C1=CC=C([O-])C(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025016998	1	39	-2.0	-93.66	363.95	-1.61	-95.27
C[C@@H](CNC(=O)C1=CC(F)=C([O-])C(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025017057	0	39	-2.0	-93.90	370.16	-1.53	-95.43
C[C@@H](CNC(=O)C1=CC=NC(Cl)=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025017063	0	38	-2.0	-93.08	367.07	-1.43	-94.51
CC1=C(CC(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N(C)[N-]1	REAL300025017083	0	45	-2.0	-94.90	404.27	-2.17	-97.07
CC1=CN=C(C(=O)NC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300025017128	1	41	-2.0	-97.60	374.28	-1.14	-98.74
C[C@@H](CNC(=O)C1=CC([O-])=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025017159	0	36	-2.0	-95.62	350.01	-2.77	-98.39
C[C@@H](CNC(=O)C1=CN([O-])C(=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025017180	0	39	-2.0	-102.37	363.42	-1.15	-103.52
CC1=C(C(=O)N[C@@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C(=S)[N-]C(=O)N1	REAL300025017209	1	41	-2.0	-103.19	390.60	-3.93	-107.12
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025017415	0	37	-2.0	-91.92	353.91	-8.25	-100.17
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025017415	1	37	-2.0	-84.55	354.55	-7.50	-92.05
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300025017619	0	41	-2.0	-92.25	382.57	-4.62	-96.87
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300025017632	0	35	-2.0	-91.92	335.53	-4.71	-96.63
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300025017651	0	39	-2.0	-87.74	366.24	-3.50	-91.24
C[C@@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300025017683	1	40	-2.0	-78.36	377.28	-2.88	-81.24
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NNC(=O)[N-]C1=O	REAL300025018815	0	40	-2.0	-100.60	366.81	-5.06	-105.66
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C(=O)[N-]NC1=O	REAL300025018895	0	42	-2.0	-103.26	380.93	-3.39	-106.65
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN([O-])C(=O)C=C1	REAL300025019448	0	42	-2.0	-108.08	376.24	1.21	-106.87
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)NC([O-])=C1	REAL300025019559	0	42	-2.0	-92.68	378.35	-3.81	-96.49
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=COC(=O)[N-]1	REAL300025019570	1	38	-2.0	-91.04	350.42	-3.97	-95.01
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)[N-]C(=O)C(F)(F)C(F)(F)F	REAL300025019657	1	37	-2.0	-88.62	354.54	-0.29	-88.91
CCN1[N-]C(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025019735	0	45	-2.0	-97.87	399.79	-0.33	-98.20
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(=S)N1[O-]	REAL300025019755	0	42	-2.0	-116.94	384.80	3.24	-113.70
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NN(C)C(=O)[N-]1	REAL300025019778	0	41	-2.0	-100.56	371.29	-2.77	-103.33
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[N-]N=CC1=O	REAL300025019860	0	40	-2.0	-83.53	356.53	-0.85	-84.38
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N[N-]1	REAL300025019951	0	39	-2.0	-94.01	355.25	-2.97	-96.98
CC(CN(C)C(=O)CSC1=NC(=O)NN1)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300025019956	0	44	-2.0	-101.62	387.79	-1.85	-103.47
CC(CN(C)C(=O)CSC1=NC(=O)[N-]N1)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300025019956	1	44	-2.0	-101.62	387.79	-1.85	-103.47
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1=NNC(=O)[N-]1	REAL300025019981	0	44	-2.0	-97.83	389.63	-2.68	-100.51
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CN([O-])C1=O	REAL300025019984	0	42	-2.0	-118.13	371.32	2.01	-116.12
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)C(C)S1	REAL300025020010	0	41	-2.0	-96.21	381.78	-2.85	-99.06
CC1=C([O-])N=C(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025020010	1	41	-2.0	-96.21	381.78	-2.85	-99.06
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N([O-])C=C1	REAL300025020039	0	42	-2.0	-110.17	376.62	1.21	-108.96
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(=O)N1[O-]	REAL300025020069	0	42	-2.0	-116.76	373.69	2.20	-114.56
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N-]C(=O)C(F)(F)F	REAL300025020183	0	41	-2.0	-94.36	384.09	-3.09	-97.45
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=NC([O-])=CS1	REAL300025020226	0	41	-2.0	-120.30	380.48	-3.07	-123.37
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1N=CC(=O)[N-]C1=O	REAL300025020252	0	43	-2.0	-98.65	389.36	-4.39	-103.04
CC1=CC(=O)C(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025020447	0	43	-2.0	-98.84	383.96	0.79	-98.05
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)N[N-]1	REAL300025020460	0	38	-2.0	-91.42	348.56	-4.28	-95.70
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C(C=N[O-])S1	REAL300025020566	0	41	-2.0	-105.03	389.34	-1.39	-106.42
COC1=NC(C(=O)NC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300025020578	0	44	-2.0	-98.74	394.69	-4.96	-103.70
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300025020713	0	42	-2.0	-96.96	378.06	-1.26	-98.22
CC(CN(C)C(=O)C1=NC=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025020965	1	41	-2.0	-106.99	363.25	1.00	-105.99
CC(CN(C)C(=O)C1=NNC(=O)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021084	0	40	-2.0	-101.43	363.26	-4.85	-106.28
CC(CN(C)C(=O)CN1C(=O)[N-]NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025021234	0	42	-2.0	-102.84	379.29	-3.35	-106.19
CC(CN(C)C(=O)C1=CC(Cl)=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022462	1	42	-2.0	-96.49	384.92	1.59	-94.90
CC(CN(C)C(=O)C1=CC([O-])=CC(C#N)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022486	1	43	-2.0	-91.19	387.83	0.46	-90.73
CC(CN(C)C(=O)C1=COC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022583	1	38	-2.0	-93.82	346.34	-2.66	-96.48
CC(CN(C)C(=O)C[N-]C(=O)C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022647	0	41	-2.0	-92.58	383.74	-3.07	-95.65
CC(CN(C)C(=O)C1=CC=C([O-])C=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022668	1	42	-2.0	-101.32	371.67	0.19	-101.13
CC(CN(C)C(=O)C1=CC([O-])=CC(=O)O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022674	0	41	-2.0	-95.86	372.02	-0.38	-96.24
CC(CN(C)C(=O)C1=CC=C(C#N)C([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022680	1	43	-2.0	-93.53	389.25	0.56	-92.97
CC(CN(C)C(=O)CN1N=CC(=O)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022697	0	43	-2.0	-101.39	389.98	-4.58	-105.97
CC(CN(C)C(=O)C1=C[N-]N=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022770	0	40	-2.0	-88.02	364.23	-1.10	-89.12
CC(CN(C)C(=O)C1=CC=CC(F)=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022778	0	42	-2.0	-102.83	374.42	1.15	-101.68
CC(CN(C)C(=O)C1=CC=CC([O-])=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022862	1	42	-2.0	-102.62	374.65	0.34	-102.28
CC(CN(C)C(=O)C1=CC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025022955	0	39	-2.0	-95.07	351.73	-2.76	-97.83
CC(CN(C)C(=O)C(=O)[PH](C)(C)[O-])NC(=O)CSC1=NC(=O)NN1	REAL300025022961	0	44	-2.0	-99.78	385.02	-1.53	-101.31
CC(CN(C)C(=O)C(=O)[PH](C)(C)[O-])NC(=O)CSC1=NC(=O)[N-]N1	REAL300025022961	1	44	-2.0	-99.78	385.02	-1.53	-101.31
CC(CN(C)C(=O)C1=CC(=O)N([O-])C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023044	0	42	-2.0	-114.98	373.37	0.64	-114.34
CC(CN(C)C(=O)C1=NC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023066	0	38	-2.0	-94.16	346.52	-3.48	-97.64
CC(CN(C)C(=O)C1=C(O)C=CC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023068	0	42	-2.0	-101.97	389.47	0.92	-101.05
CC(CN(C)C(=O)C1=C([O-])C=CC=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023068	1	42	-2.0	-101.97	389.47	0.92	-101.05
CC(CN(C)C(=O)C1=CC=CN([O-])C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023072	0	42	-2.0	-129.30	381.31	0.87	-128.43
CC(CN(C)C(=O)C1=NC(N)=CC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023178	0	42	-2.0	-103.30	374.44	-2.87	-106.17
CC(CN(C)C(=O)C1=CC=C([O-])C(Cl)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023221	0	42	-2.0	-96.24	382.94	0.67	-95.57
CC(CN(C)C(=O)C1=CC(F)=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023226	1	42	-2.0	-96.27	374.60	1.15	-95.12
CC1=CC=NC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300025023288	1	44	-2.0	-102.73	382.60	1.73	-101.00
CC(CN(C)C(=O)C1=CC=CC(=S)N1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023391	0	42	-2.0	-135.43	391.98	1.28	-134.15
CC(CN(C)C(=O)C1=CC=C([O-])C=C1Cl)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023524	1	42	-2.0	-99.30	379.79	0.62	-98.68
CC(CN(C)C(=O)CC1=NC([O-])=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023535	0	41	-2.0	-108.84	379.86	-3.00	-111.84
CC(CN(C)C(=O)C1=C([O-])C=CC=C1F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023550	1	42	-2.0	-94.78	380.29	0.53	-94.25
CC(CN(C)C(=O)CN1[N-]C(=O)C=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023551	0	44	-2.0	-104.23	395.75	-2.48	-106.71
CC(CN(C)C(=O)C1=CC=C(F)C=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023552	0	42	-2.0	-111.45	371.39	1.70	-109.75
CC1=CC=C(F)C([O-])=C1C(=O)N(C)CC(C)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023582	0	45	-2.0	-116.05	400.37	0.97	-115.08
CC(CN(C)C(=O)C1=CC=CC(Cl)=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023667	0	42	-2.0	-98.11	384.22	1.63	-96.48
CC1=CC(=O)C(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025023695	0	43	-2.0	-98.60	380.05	1.03	-97.57
CC(CN(C)C(=O)C1=CC=CC(=O)N1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023717	0	42	-2.0	-129.94	380.87	0.64	-129.30
CC(CN(C)C(=O)C1=CC=C(C#N)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023740	0	42	-2.0	-105.67	391.03	-1.42	-107.09
CC(CN(C)C(=O)C1=NN(C)C(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023781	0	41	-2.0	-102.40	369.21	-2.61	-105.01
CC(CN(C)C(=O)C1=C(F)C=CC(O)=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023826	0	43	-2.0	-99.59	391.62	-1.52	-101.11
CC(CN(C)C(=O)C1=C(F)C=CC(O)=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023826	1	43	-2.0	-99.59	391.62	-1.52	-101.11
CC(CN(C)C(=O)C1=CC(C#N)=CC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023835	0	43	-2.0	-93.68	389.06	1.49	-92.19
CC(CN(C)C(=O)C1=CN([O-])C(=O)NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023915	0	42	-2.0	-97.44	381.83	-1.81	-99.25
CC(CN(C)C(=O)C1=CC=C(F)C(O)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023963	0	42	-2.0	-96.87	373.18	0.14	-96.73
CC(CN(C)C(=O)C1=CC=C(F)C([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023963	1	42	-2.0	-96.87	373.18	0.14	-96.73
CC(CN(C)C(=O)C1=CC=C(Cl)C=C1O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023981	0	42	-2.0	-111.01	381.71	2.15	-108.86
CC(CN(C)C(=O)C1=CC=C(Cl)C=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025023981	1	42	-2.0	-111.01	381.71	2.15	-108.86
CC(CN(C)C(=O)C1=NC(=O)[N-]C(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024044	0	40	-2.0	-97.31	364.45	-5.06	-102.37
CC(CN(C)C(=O)C1=NC(=O)NC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024044	1	40	-2.0	-91.67	364.30	-3.91	-95.58
CC(CN(C)C(=O)C1=CN=C(N)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024097	1	42	-2.0	-108.99	379.47	-2.58	-111.57
COC1=NC(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300025024167	0	44	-2.0	-99.11	388.67	-3.95	-103.06
CC(CN(C)C(=O)C1=CC=C(Cl)C([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024211	0	42	-2.0	-93.23	382.97	0.63	-92.60
CC(CN(C)C(=O)C1=CC=NC=C1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024218	0	41	-2.0	-111.91	364.26	-0.97	-112.88
CC(CN(C)C(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024224	0	38	-2.0	-100.49	346.18	-2.66	-103.15
CC1=C([O-])N=C(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025024245	1	41	-2.0	-100.10	377.98	-1.92	-102.02
CC(CN(C)C(=O)C(=O)C1=CC=C([O-])C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024332	1	44	-2.0	-92.47	396.70	0.34	-92.13
CC(CN(C)C(=O)C1=CN=C(C=N[O-])S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024349	0	41	-2.0	-108.03	383.85	-1.75	-109.78
CC(CN(C)C(=O)C1=CC(=O)NC([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024384	0	42	-2.0	-95.75	382.07	-4.02	-99.77
CCN1[N-]C(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025024438	0	45	-2.0	-98.73	395.74	-0.10	-98.83
CC(CN(C)C(=O)C1=CC(=O)N(C)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024455	0	42	-2.0	-97.95	374.01	-1.03	-98.98
CC(CN(C)C(=O)C1=CC=C([O-])C(F)=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024584	1	42	-2.0	-99.56	373.14	0.19	-99.37
CC1=C(CC(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N(C)[N-]1	REAL300025024644	0	48	-2.0	-107.03	417.11	0.13	-106.90
CC1=CN=C(C(=O)N(C)CC(C)NC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300025024678	1	44	-2.0	-108.43	384.70	1.64	-106.79
CC(CN(C)C(=O)C1=CC([O-])=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024696	0	39	-2.0	-108.42	358.65	-1.04	-109.46
CC(CN(C)C(=O)C1=CN([O-])C(=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025024711	0	42	-2.0	-103.84	381.13	0.86	-102.98
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025024866	0	40	-2.0	-93.20	368.37	-6.04	-99.24
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025024866	1	40	-2.0	-88.94	367.73	-5.26	-94.20
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300025024999	0	44	-2.0	-100.71	395.13	-2.29	-103.00
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300025025006	0	38	-2.0	-97.42	349.99	-2.50	-99.92
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300025025017	0	42	-2.0	-98.46	376.48	-0.25	-98.71
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCC1NC(=O)C1=COC(=O)[N-]1	REAL300025025378	1	45	-2.0	-92.75	395.65	-3.62	-96.37
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCC1NC(=O)C1=CC(=O)N[N-]1	REAL300025025456	0	46	-2.0	-92.56	396.38	-2.28	-94.84
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCC1NC(=O)C1=NC(=O)N[N-]1	REAL300025025524	0	45	-2.0	-92.58	395.07	-3.93	-96.51
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCC1CNC(=O)C1=COC(=O)[N-]1	REAL300025025880	1	45	-2.0	-86.71	391.54	-3.29	-90.00
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCC1CNC(=O)C1=CC(=O)N[N-]1	REAL300025025932	0	46	-2.0	-88.78	396.37	-2.29	-91.07
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCC1CNC(=O)C1=NC(=O)N[N-]1	REAL300025025942	0	45	-2.0	-87.65	395.07	-3.93	-91.58
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300025026087	0	45	-2.0	-92.23	391.11	-1.81	-94.04
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCC1NC(=O)C1=CC(=O)[N-]O1	REAL300025026226	0	45	-2.0	-96.00	395.22	-2.15	-98.15
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300025027315	0	40	-2.0	-94.51	369.70	-5.25	-99.76
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1C(=O)[N-]NC1=O	REAL300025027395	0	42	-2.0	-95.92	386.25	-3.86	-99.78
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300025027948	0	42	-2.0	-100.20	387.80	0.47	-99.73
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300025028059	0	42	-2.0	-86.86	388.22	-4.43	-91.29
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300025028070	1	38	-2.0	-86.04	352.73	-3.06	-89.10
CCN1[N-]C(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025028235	0	45	-2.0	-91.67	402.14	-0.49	-92.16
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(=S)N1[O-]	REAL300025028255	0	42	-2.0	-114.29	398.70	0.87	-113.42
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300025028278	0	41	-2.0	-95.31	375.63	-3.00	-98.31
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]N=CC1=O	REAL300025028360	0	40	-2.0	-87.31	371.27	-1.66	-88.97
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300025028451	0	39	-2.0	-88.17	358.16	-3.16	-91.33
CN(CCCNC(=O)CSC1=NC(=O)NN1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300025028456	0	44	-2.0	-92.44	392.86	-2.02	-94.46
CN(CCCNC(=O)CSC1=NC(=O)[N-]N1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300025028456	1	44	-2.0	-92.44	392.86	-2.02	-94.46
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CN([O-])C1=O	REAL300025028484	0	42	-2.0	-112.44	387.43	0.45	-111.99
CC1SC(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)=NC1=O	REAL300025028510	0	41	-2.0	-91.83	384.37	-2.33	-94.16
CC1=C([O-])N=C(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025028510	1	41	-2.0	-91.83	384.37	-2.33	-94.16
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300025028539	0	42	-2.0	-106.39	380.08	0.24	-106.15
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300025028569	0	42	-2.0	-111.02	387.60	0.25	-110.77
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CC1=NC([O-])=CS1	REAL300025028726	0	41	-2.0	-108.83	386.81	-3.52	-112.35
CC1=CC(=O)C(C(=O)N(C)CCCNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025028947	0	43	-2.0	-92.05	386.44	0.64	-91.41
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300025028960	0	38	-2.0	-86.88	352.95	-3.86	-90.74
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN=C(C=N[O-])S1	REAL300025029066	0	41	-2.0	-103.00	391.26	-2.31	-105.31
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300025029213	0	42	-2.0	-90.93	380.39	-1.43	-92.36
CN(CCCNC(=O)C1=NC=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025029465	1	41	-2.0	-101.21	372.35	0.06	-101.15
CN(CCCNC(=O)C1=NNC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029584	0	40	-2.0	-92.79	371.86	-5.46	-98.25
CN(CCCNC(=O)CN1C(=O)[N-]NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025029734	0	42	-2.0	-94.02	385.98	-3.81	-97.83
CN(CCCNC(=O)C1=CC(Cl)=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025030962	1	42	-2.0	-97.90	392.12	2.28	-95.62
CN(CCCNC(=O)C1=CC([O-])=CC(C#N)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025030986	1	43	-2.0	-87.36	398.41	0.50	-86.86
CN(CCCNC(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031083	1	38	-2.0	-89.92	355.47	-4.39	-94.31
CN(CCCNC(=O)C[N-]C(=O)C(F)(F)F)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031147	0	41	-2.0	-88.11	390.69	-3.50	-91.61
CN(CCCNC(=O)C1=CC=C([O-])C=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031168	1	42	-2.0	-92.38	382.07	0.23	-92.15
CN(CCCNC(=O)C1=CC([O-])=CC(=O)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031174	0	41	-2.0	-89.45	380.89	-0.62	-90.07
CN(CCCNC(=O)C1=CC=C(C#N)C([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031180	1	43	-2.0	-95.81	397.43	0.56	-95.25
CN(CCCNC(=O)CN1N=CC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031197	0	43	-2.0	-99.80	396.31	-4.92	-104.72
CN(CCCNC(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031270	0	40	-2.0	-82.91	364.52	-1.24	-84.15
CN(CCCNC(=O)C1=CC=CC(F)=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025031278	0	42	-2.0	-105.69	381.61	1.83	-103.86
CN(CCCNC(=O)C1=CC=CC([O-])=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031362	1	42	-2.0	-102.99	381.94	0.21	-102.78
CN(CCCNC(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031455	0	39	-2.0	-88.71	360.30	-3.41	-92.12
CN(CCCNC(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)NN1	REAL300025031461	0	44	-2.0	-90.66	394.75	-2.37	-93.03
CN(CCCNC(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)[N-]N1	REAL300025031461	1	44	-2.0	-90.66	394.75	-2.37	-93.03
CN(CCCNC(=O)C1=CC(=O)N([O-])C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031544	0	42	-2.0	-105.06	383.58	0.68	-104.38
CN(CCCNC(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031566	0	38	-2.0	-89.31	355.16	-4.68	-93.99
CN(CCCNC(=O)C1=C(O)C=CC=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031568	0	42	-2.0	-94.66	396.78	0.49	-94.17
CN(CCCNC(=O)C1=C([O-])C=CC=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031568	1	42	-2.0	-94.66	396.78	0.49	-94.17
CN(CCCNC(=O)C1=CC=CN([O-])C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031572	0	42	-2.0	-102.94	380.52	0.83	-102.11
CN(CCCNC(=O)C1=CC(F)=CC=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025031726	0	42	-2.0	-97.36	381.80	1.83	-95.53
CN(CCCNC(=O)C1=CC(F)=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025031726	1	42	-2.0	-97.36	381.80	1.83	-95.53
CC1=CC=NC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300025031788	0	44	-2.0	-101.15	392.94	0.76	-100.39
CC1=CC=NC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300025031788	1	44	-2.0	-101.15	392.94	0.76	-100.39
CN(CCCNC(=O)C1=CC=CC(=S)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025031891	0	42	-2.0	-121.84	391.76	2.73	-119.11
CN(CCCNC(=O)C1=CC=C(O)C=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032024	0	42	-2.0	-91.11	390.04	0.67	-90.44
CN(CCCNC(=O)C1=CC=C([O-])C=C1Cl)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032024	1	42	-2.0	-91.11	390.04	0.67	-90.44
CN(CCCNC(=O)CC1=NC([O-])=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032035	0	41	-2.0	-108.70	387.08	-3.47	-112.17
CN(CCCNC(=O)C1=C(O)C=CC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032050	0	42	-2.0	-95.58	387.29	0.11	-95.47
CN(CCCNC(=O)C1=C([O-])C=CC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032050	1	42	-2.0	-95.58	387.29	0.11	-95.47
CN(CCCNC(=O)CN1[N-]C(=O)C=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032051	0	44	-2.0	-95.05	402.08	-2.82	-97.87
CN(CCCNC(=O)C1=CC=CC(Cl)=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025032167	0	42	-2.0	-100.60	391.42	2.30	-98.30
CC1=CC(=O)C(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025032195	0	43	-2.0	-92.79	389.02	0.39	-92.40
CN(CCCNC(=O)C1=CC=CC(=O)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025032217	0	42	-2.0	-118.78	380.65	1.70	-117.08
CN(CCCNC(=O)C1=CC=C(C#N)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032240	0	42	-2.0	-85.14	390.29	-1.38	-86.52
CN(CCCNC(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032281	0	41	-2.0	-94.81	377.89	-3.19	-98.00
CN(CCCNC(=O)C1=C(F)C=CC(O)=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032326	0	43	-2.0	-101.07	397.76	-1.84	-102.91
CN(CCCNC(=O)C1=C(F)C=CC(O)=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025032326	1	43	-2.0	-101.07	397.76	-1.84	-102.91
CN(CCCNC(=O)C1=CC(C#N)=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025032335	0	43	-2.0	-95.00	396.22	2.17	-92.83
CN(CCCNC(=O)C1=CN([O-])C(=O)NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032415	0	42	-2.0	-89.42	385.77	-1.69	-91.11
CN(CCCNC(=O)C1=CC=C(F)C(O)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032463	0	42	-2.0	-93.97	383.78	0.19	-93.78
CN(CCCNC(=O)C1=CC=C(F)C([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032463	1	42	-2.0	-93.97	383.78	0.19	-93.78
CN(CCCNC(=O)C1=CC=C(Cl)C=C1O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032481	0	42	-2.0	-99.89	392.11	2.29	-97.60
CN(CCCNC(=O)C1=CC=C(Cl)C=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025032481	1	42	-2.0	-99.89	392.11	2.29	-97.60
CN(CCCNC(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032544	0	40	-2.0	-92.06	373.42	-6.46	-98.52
CN(CCCNC(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032544	1	40	-2.0	-85.89	374.34	-5.69	-91.58
CN(CCCNC(=O)C1=CN=C(N)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032597	1	42	-2.0	-90.32	378.74	-2.53	-92.85
COC1=NC(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300025032667	0	44	-2.0	-92.56	401.29	-5.37	-97.93
CN(CCCNC(=O)C1=CC=C(Cl)C([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032711	0	42	-2.0	-90.26	393.58	0.67	-89.59
CN(CCCNC(=O)C1=CC=NC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025032718	1	41	-2.0	-99.82	370.40	-0.06	-99.88
CN(CCCNC(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032724	0	38	-2.0	-92.71	355.04	-2.92	-95.63
CC1=C([O-])N=C(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025032745	1	41	-2.0	-96.55	386.84	-3.27	-99.82
CN(CCCNC(=O)C(=O)C1=CC=C([O-])C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032832	1	44	-2.0	-90.47	397.88	0.00	-90.47
CN(CCCNC(=O)C1=CN=C(C=N[O-])S1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032849	0	41	-2.0	-100.37	395.95	-1.80	-102.17
CN(CCCNC(=O)C1=CC(=O)NC([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032884	0	42	-2.0	-88.03	383.40	-4.23	-92.26
CCN1[N-]C(C(=O)NCCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025032938	0	45	-2.0	-92.10	404.84	-0.77	-92.87
CN(CCCNC(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025032955	0	42	-2.0	-91.31	383.11	-1.70	-93.01
CN(CCCNC(=O)C1=CC=C([O-])C(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025033084	1	42	-2.0	-92.84	383.74	0.22	-92.62
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CN(CCCNC(=O)C1=CC([O-])=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025033196	0	39	-2.0	-97.29	369.53	-0.94	-98.23
CN(CCCNC(=O)C1=CN([O-])C(=O)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025033211	0	42	-2.0	-104.53	383.21	0.68	-103.85
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025033366	0	40	-2.0	-89.15	370.83	-5.45	-94.60
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025033366	1	40	-2.0	-87.69	368.13	-4.27	-91.96
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300025033499	0	44	-2.0	-96.72	402.35	-2.89	-99.61
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300025033506	0	38	-2.0	-92.39	352.57	-3.04	-95.43
CN(CCCNC(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300025033517	0	42	-2.0	-90.32	388.56	-2.21	-92.53
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1=NNC(=O)[N-]C1=O)C1CC1	REAL300025034274	0	41	-2.0	-90.70	377.30	-5.94	-96.64
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)CN1C(=O)[N-]NC1=O)C1CC1	REAL300025034322	0	43	-2.0	-91.61	388.51	-3.64	-95.25
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1=CN([O-])C(=O)C=C1)C1CC1	REAL300025034662	0	43	-2.0	-103.13	385.46	0.85	-102.28
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1=CC(=O)NC([O-])=C1)C1CC1	REAL300025034737	0	43	-2.0	-86.78	388.85	-4.61	-91.39
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1=COC(=O)[N-]1)C1CC1	REAL300025034748	1	39	-2.0	-88.14	360.92	-4.75	-92.89
CCN1[N-]C(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=CC1=O	REAL300025034853	0	46	-2.0	-89.69	410.30	-1.13	-90.82
CN1N=C(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)[N-]C1=O	REAL300025034879	0	42	-2.0	-92.85	380.14	-3.03	-95.88
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1=C[N-]N=CC1=O)C1CC1	REAL300025034931	0	41	-2.0	-79.46	370.01	-1.61	-81.07
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1=CC(=O)N[N-]1)C1CC1	REAL300025034989	0	40	-2.0	-86.88	362.84	-3.25	-90.13
C[PH](C)([O-])C(=O)C(=O)NC(CNC(=O)CSC1=NC(=O)NN1)C1CC1	REAL300025034994	0	45	-2.0	-96.27	395.58	-2.46	-98.73
C[PH](C)([O-])C(=O)C(=O)NC(CNC(=O)CSC1=NC(=O)[N-]N1)C1CC1	REAL300025034994	1	45	-2.0	-96.27	395.58	-2.46	-98.73
O=C(CCC1=NNC(=O)[N-]1)NC(CNC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025035012	0	45	-2.0	-90.75	401.77	-3.57	-94.32
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1=CC=CN([O-])C1=O)C1CC1	REAL300025035014	0	43	-2.0	-100.05	382.80	1.01	-99.04
CC1SC(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=NC1=O	REAL300025035033	0	42	-2.0	-95.19	392.28	-3.64	-98.83
CC1=C([O-])N=C(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)S1	REAL300025035033	1	42	-2.0	-95.19	392.28	-3.64	-98.83
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1=CC(=O)N([O-])C=C1)C1CC1	REAL300025035047	0	43	-2.0	-104.09	385.84	0.83	-103.26
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CN1[N-]C(C(=O)NC(CNC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=CC1=O	REAL300025035483	0	43	-2.0	-89.20	385.65	-1.53	-90.73
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O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)CN1C(=O)[N-]NC1=O)C1CC1	REAL300025035908	0	43	-2.0	-90.75	391.43	-4.17	-94.92
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=COC(=O)[N-]1)C1CC1	REAL300025036692	1	39	-2.0	-90.58	360.94	-4.77	-95.35
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=CC=C([O-])C=C1F)C1CC1	REAL300025036754	1	43	-2.0	-90.67	384.35	0.37	-90.30
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=CC([O-])=CC(=O)O1)C1CC1	REAL300025036757	0	42	-2.0	-90.37	386.08	-1.02	-91.39
O=C(CCC1=NC(=O)[N-]N1)NCC(NC(=O)CSC1=NNC(=O)[N-]1)C1CC1	REAL300025036805	1	45	-2.0	-100.00	401.68	-4.10	-104.10
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O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=CC(=O)N[N-]1)C1CC1	REAL300025036940	0	40	-2.0	-87.05	365.77	-3.79	-90.84
C[PH](C)([O-])C(=O)C(=O)NCC(NC(=O)CSC1=NC(=O)NN1)C1CC1	REAL300025036945	0	45	-2.0	-91.75	404.31	-2.94	-94.69
C[PH](C)([O-])C(=O)C(=O)NCC(NC(=O)CSC1=NC(=O)[N-]N1)C1CC1	REAL300025036945	1	45	-2.0	-91.75	404.31	-2.94	-94.69
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CC1=CC=NC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=C1O	REAL300025037145	0	45	-2.0	-95.83	398.14	0.36	-95.47
CC1=CC=NC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=C1[O-]	REAL300025037145	1	45	-2.0	-95.83	398.14	0.36	-95.47
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O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=C([O-])C=CC=C1F)C1CC1	REAL300025037288	1	43	-2.0	-93.40	392.49	-0.29	-93.69
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=CC=C(F)C=C1[O-])C1CC1	REAL300025037289	0	43	-2.0	-94.27	384.06	1.98	-92.29
CC1=CC(=O)C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=N[N-]1	REAL300025037373	0	44	-2.0	-89.53	391.56	0.55	-88.98
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=CC=CC(=O)N1[O-])C1CC1	REAL300025037388	0	43	-2.0	-111.53	385.84	1.30	-110.23
CN1N=C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)[N-]C1=O	REAL300025037430	0	42	-2.0	-92.41	380.09	-3.03	-95.44
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=CC=C(F)C([O-])=C1)C1CC1	REAL300025037543	1	43	-2.0	-96.40	388.96	-0.20	-96.60
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O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=NC(=O)NC(=O)[N-]1)C1CC1	REAL300025037588	1	41	-2.0	-85.95	376.61	-5.54	-91.49
NC1=NC=C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C(=O)N1	REAL300025037622	0	43	-2.0	-89.39	384.21	-2.91	-92.30
NC1=NC=C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C(=O)[N-]1	REAL300025037622	1	43	-2.0	-89.39	384.21	-2.91	-92.30
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=CC=NC=C1O)C1CC1	REAL300025037697	0	42	-2.0	-94.27	375.88	-0.44	-94.71
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=CC=NC=C1[O-])C1CC1	REAL300025037697	1	42	-2.0	-94.27	375.88	-0.44	-94.71
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CC1SC(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=NC1=O	REAL300025037717	0	42	-2.0	-98.61	389.38	-3.11	-101.72
CC1=C([O-])N=C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)S1	REAL300025037717	1	42	-2.0	-98.61	389.38	-3.11	-101.72
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=CC(=O)NC([O-])=C1)C1CC1	REAL300025037808	0	43	-2.0	-88.07	385.94	-4.08	-92.15
CCN1[N-]C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=CC1=O	REAL300025037846	0	46	-2.0	-89.67	410.31	-1.14	-90.81
CN1[N-]C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)=CC1=O	REAL300025037862	0	43	-2.0	-89.12	388.58	-2.08	-91.20
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CC1=CN=C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C(O)=C1	REAL300025037997	0	45	-2.0	-97.10	399.26	0.30	-96.80
CC1=CN=C(C(=O)NCC(NC(=O)CSC2=NNC(=O)[N-]2)C2CC2)C([O-])=C1	REAL300025037997	1	45	-2.0	-97.10	399.26	0.30	-96.80
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=CC([O-])=CS1)C1CC1	REAL300025038009	0	40	-2.0	-95.10	372.07	-0.79	-95.89
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=CN([O-])C(=O)C=C1)C1CC1	REAL300025038020	0	43	-2.0	-101.84	388.39	0.30	-101.54
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1=NC(=O)[N-]C(=O)N1)C1CC1	REAL300025038114	0	41	-2.0	-91.55	378.87	-6.82	-98.37
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1=NC(=O)NC(=O)[N-]1)C1CC1	REAL300025038114	1	41	-2.0	-84.33	379.52	-6.07	-90.40
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CCC1CN(C(=O)C2=COC(=O)[N-]2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038563	1	45	-2.0	-86.79	387.17	-1.36	-88.15
CCC1CN(C(=O)C2=CC(=O)N[N-]2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038641	0	46	-2.0	-85.74	388.44	-1.14	-86.88
CCC1CN(C(=O)C2=NC(=O)N[N-]2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025038709	0	45	-2.0	-87.12	383.43	-1.75	-88.87
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=COC(=O)[N-]1	REAL300025039065	1	45	-2.0	-85.55	386.92	-2.26	-87.81
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=CC(=O)N[N-]1	REAL300025039117	0	46	-2.0	-84.71	391.74	-1.27	-85.98
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=NC(=O)N[N-]1	REAL300025039127	0	45	-2.0	-84.95	389.94	-2.89	-87.84
CCC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300025039272	0	45	-2.0	-89.11	386.49	-0.80	-89.91
CCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025039411	0	45	-2.0	-90.90	383.38	-1.14	-92.04
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300025040552	0	38	-2.0	-102.50	357.53	-5.40	-107.90
O=C(CN1C(=O)[N-]NC1=O)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025040636	0	40	-2.0	-102.95	371.14	-3.82	-106.77
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300025041222	0	40	-2.0	-111.24	368.62	0.73	-110.51
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300025041336	0	40	-2.0	-97.70	369.09	-4.18	-101.88
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1=COC(=O)[N-]1	REAL300025041347	1	36	-2.0	-102.05	341.15	-4.34	-106.39
O=C(CSC1=NNC(=O)[N-]1)N1CCC1C[N-]C(=O)C(F)(F)C(F)(F)F	REAL300025041436	1	35	-2.0	-94.22	344.53	-0.05	-94.27
CCN1[N-]C(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025041516	0	43	-2.0	-102.31	390.01	-0.78	-103.09
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1=CC=CC(=S)N1[O-]	REAL300025041538	0	40	-2.0	-99.09	377.68	0.70	-98.39
CN1N=C(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025041562	0	39	-2.0	-106.33	363.30	-3.14	-109.47
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1=C[N-]N=CC1=O	REAL300025041650	0	38	-2.0	-95.00	350.23	-1.18	-96.18
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1=CC(=O)N[N-]1	REAL300025041745	0	37	-2.0	-100.17	345.98	-3.34	-103.51
C[PH](C)([O-])C(=O)C(=O)NCC1CCN1C(=O)CSC1=NC(=O)NN1	REAL300025041750	0	42	-2.0	-96.67	385.99	-3.25	-99.92
C[PH](C)([O-])C(=O)C(=O)NCC1CCN1C(=O)CSC1=NC(=O)[N-]N1	REAL300025041750	1	42	-2.0	-96.67	385.99	-3.25	-99.92
O=C(CCC1=NC(=O)NN1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041776	0	42	-2.0	-107.18	381.90	-3.67	-110.85
O=C(CCC1=NC(=O)[N-]N1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025041776	1	42	-2.0	-107.18	381.90	-3.67	-110.85
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1=CC=CN([O-])C1=O	REAL300025041780	0	40	-2.0	-120.50	366.49	1.69	-118.81
CC1SC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)=NC1=O	REAL300025041808	0	39	-2.0	-108.62	372.52	-3.23	-111.85
CC1=C([O-])N=C(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025041808	1	39	-2.0	-108.62	372.52	-3.23	-111.85
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1=CC(=O)C=C(Cl)N1	REAL300025041821	0	39	-2.0	-96.43	376.13	-0.06	-96.49
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300025041821	1	39	-2.0	-96.43	376.13	-0.06	-96.49
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300025041838	0	40	-2.0	-112.19	369.00	0.72	-111.47
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300025041871	0	40	-2.0	-97.40	366.57	-0.05	-97.45
NC1=NC([O-])=C(CC(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025041992	0	41	-2.0	-111.09	387.31	-4.30	-115.39
O=C(CC1=NC([O-])=CS1)NCC1CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025042036	0	39	-2.0	-107.52	371.98	-3.49	-111.01
CC1=CC(=O)C(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025042265	0	41	-2.0	-105.21	374.70	0.47	-104.74
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1=NNC(=O)[N-]1	REAL300025042280	0	36	-2.0	-101.58	339.95	-4.87	-106.45
O=C(CSC1=NNC(=O)[N-]1)N1CCC1CNC(=O)C1=CN=C(C=N[O-])S1	REAL300025042388	0	39	-2.0	-104.31	382.84	-2.50	-106.81
COC1=NC(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300025042401	0	42	-2.0	-101.37	386.19	-5.39	-106.76
CN1[N-]C(C(=O)NCC2CCN2C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025042544	0	40	-2.0	-101.41	368.28	-1.71	-103.12
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=NC=CC=C1[O-]	REAL300025042796	1	39	-2.0	-109.85	354.00	0.15	-109.70
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300025042917	0	38	-2.0	-102.51	353.64	-5.49	-108.00
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300025043076	0	40	-2.0	-103.42	372.77	-4.49	-107.91
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300025044382	1	40	-2.0	-109.02	369.71	2.02	-107.00
N#CC1=CC([O-])=CC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025044407	1	41	-2.0	-101.87	379.25	0.06	-101.81
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=COC(=O)[N-]1	REAL300025044506	1	36	-2.0	-91.64	337.50	-3.88	-95.52
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300025044572	0	39	-2.0	-93.97	375.58	-3.56	-97.53
NC1=NC([O-])=C(CC(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025044573	0	41	-2.0	-112.97	388.43	-5.04	-118.01
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=C(F)C=C([O-])C=C1F	REAL300025044582	0	40	-2.0	-92.62	380.35	-0.61	-93.23
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC=C([O-])C=C1F	REAL300025044595	1	40	-2.0	-100.75	359.64	0.13	-100.62
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300025044601	0	39	-2.0	-95.41	362.34	-0.75	-96.16
N#CC1=CC=C(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C=C1[O-]	REAL300025044607	1	41	-2.0	-91.41	378.56	0.12	-91.29
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300025044610	0	39	-2.0	-105.25	365.04	0.14	-105.11
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300025044626	0	41	-2.0	-108.20	383.14	-5.60	-113.80
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=C[N-]N=CC1=O	REAL300025044704	0	38	-2.0	-99.76	343.33	-0.42	-100.18
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300025044713	0	40	-2.0	-119.04	359.18	1.58	-117.46
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC=CC([O-])=C1F	REAL300025044799	1	40	-2.0	-117.10	359.50	0.10	-117.00
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC(=O)N[N-]1	REAL300025044897	0	37	-2.0	-95.34	342.78	-3.28	-98.62
C[PH](C)([O-])C(=O)C(=O)N1CCC1CNC(=O)CSC1=NC(=O)NN1	REAL300025044903	0	42	-2.0	-103.68	376.56	-2.70	-106.38
C[PH](C)([O-])C(=O)C(=O)N1CCC1CNC(=O)CSC1=NC(=O)[N-]N1	REAL300025044903	1	42	-2.0	-103.68	376.56	-2.70	-106.38
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300025044989	0	40	-2.0	-115.21	361.04	0.56	-114.65
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=NC(=O)N[N-]1	REAL300025045013	0	36	-2.0	-93.46	337.12	-4.34	-97.80
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=C(O)C=CC=C1Cl	REAL300025045015	0	40	-2.0	-105.02	382.17	0.49	-104.53
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=C([O-])C=CC=C1Cl	REAL300025045015	1	40	-2.0	-105.02	382.17	0.49	-104.53
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300025045019	0	40	-2.0	-99.02	360.87	0.75	-98.27
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=C(F)C=CC(O)=C1F	REAL300025045048	0	40	-2.0	-101.56	380.49	-0.64	-102.20
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=C(F)C=CC([O-])=C1F	REAL300025045048	1	40	-2.0	-101.56	380.49	-0.64	-102.20
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300025045178	0	40	-2.0	-95.23	374.37	0.28	-94.95
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300025045183	1	40	-2.0	-108.10	359.40	1.58	-106.52
CC1=CC=NC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300025045246	1	42	-2.0	-109.42	374.32	0.84	-108.58
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300025045360	0	40	-2.0	-140.46	369.43	2.47	-137.99
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300025045464	0	39	-2.0	-89.01	372.31	-0.93	-89.94
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300025045501	1	40	-2.0	-98.52	367.63	0.57	-97.95
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)CC1=NC([O-])=CS1	REAL300025045512	0	39	-2.0	-117.78	372.51	-3.44	-121.22
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=C([O-])C=CC=C1F	REAL300025045527	0	40	-2.0	-105.88	372.68	0.12	-105.76
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300025045529	0	42	-2.0	-103.93	388.88	-3.50	-107.43
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300025045530	0	40	-2.0	-112.56	359.36	1.59	-110.97
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025045560	0	43	-2.0	-106.51	393.56	-0.06	-106.57
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300025045646	0	40	-2.0	-103.61	365.74	0.21	-103.40
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300025045652	0	40	-2.0	-112.72	368.99	2.05	-110.67
CC1=CC(=O)C(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025045680	0	41	-2.0	-99.77	370.83	0.38	-99.39
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300025045705	0	40	-2.0	-135.84	358.32	1.43	-134.41
N#CC1=CC=C(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300025045729	0	40	-2.0	-83.93	370.25	-1.38	-85.31
CN1N=C(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025045773	0	39	-2.0	-103.43	359.80	-3.12	-106.55
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=C(F)C=CC(O)=C1O	REAL300025045820	0	41	-2.0	-107.28	384.86	-2.54	-109.82
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300025045820	1	41	-2.0	-107.28	384.86	-2.54	-109.82
N#CC1=CC=C([O-])C(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)=C1	REAL300025045829	0	41	-2.0	-102.66	376.28	1.76	-100.90
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300025045911	0	40	-2.0	-99.08	367.82	-1.12	-100.20
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC=C(F)C(O)=C1	REAL300025045962	0	40	-2.0	-95.33	364.61	-0.25	-95.58
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300025045962	1	40	-2.0	-95.33	364.61	-0.25	-95.58
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC=C(Cl)C=C1O	REAL300025045980	0	40	-2.0	-112.09	369.68	2.04	-110.05
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300025045980	1	40	-2.0	-112.09	369.68	2.04	-110.05
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025046045	0	38	-2.0	-95.15	355.15	-6.06	-101.21
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025046045	1	38	-2.0	-91.64	355.77	-5.31	-96.95
NC1=NC=C(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300025046099	1	40	-2.0	-105.04	369.37	-2.85	-107.89
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC=C(F)C([O-])=C1F	REAL300025046132	0	40	-2.0	-116.61	365.71	0.17	-116.44
COC1=NC(C(=O)N2CCC2CNC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300025046174	0	42	-2.0	-101.44	381.46	-5.06	-106.50
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300025046183	0	39	-2.0	-106.02	370.24	0.66	-105.36
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300025046221	0	40	-2.0	-91.98	374.41	0.23	-91.75
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC=NC=C1[O-]	REAL300025046229	0	39	-2.0	-112.14	348.16	-0.29	-112.43
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN1C(=O)C1=CC(=O)[N-]O1	REAL300025046235	0	36	-2.0	-99.04	337.39	-2.98	-102.02
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O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300025053430	0	36	-2.0	-94.33	345.39	-4.49	-98.82
CC1SC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)=NC1=O	REAL300025053448	0	39	-2.0	-96.92	377.53	-4.30	-101.22
CC1=C([O-])N=C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)S1	REAL300025053448	1	39	-2.0	-96.92	377.53	-4.30	-101.22
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C(=O)C2=CC=C(O)C=C2)CC1	REAL300025053530	0	42	-2.0	-94.70	387.20	-1.04	-95.74
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C(=O)C2=CC=C([O-])C=C2)CC1	REAL300025053530	1	42	-2.0	-94.70	387.20	-1.04	-95.74
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CN=C(C=N[O-])S2)CC1	REAL300025053545	0	39	-2.0	-102.26	386.03	-3.38	-105.64
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC(=O)C=C(Cl)N2)CC1	REAL300025053561	0	39	-2.0	-87.04	380.79	-1.68	-88.72
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1	REAL300025053561	1	39	-2.0	-87.04	380.79	-1.68	-88.72
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC(=O)NC([O-])=C2)CC1	REAL300025053579	0	40	-2.0	-89.54	374.08	-5.82	-95.36
CCN1[N-]C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300025053632	0	43	-2.0	-93.33	395.13	-1.73	-95.06
CN1[N-]C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300025053645	0	40	-2.0	-92.91	373.37	-3.26	-96.17
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC=C(O)C(F)=C2)CC1	REAL300025053755	0	40	-2.0	-94.27	373.82	-1.34	-95.61
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300025053755	1	40	-2.0	-94.27	373.82	-1.34	-95.61
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC(F)=C([O-])C(F)=C2)CC1	REAL300025053788	0	40	-2.0	-95.23	380.03	-1.27	-96.50
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC=NC(Cl)=C2[O-])CC1	REAL300025053792	0	39	-2.0	-102.01	376.93	-1.21	-103.22
CC1=CN=C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C(O)=C1	REAL300025053840	0	42	-2.0	-104.96	384.14	-0.92	-105.88
CC1=CN=C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CC2)C([O-])=C1	REAL300025053840	1	42	-2.0	-104.96	384.14	-0.92	-105.88
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC([O-])=CS2)CC1	REAL300025053858	0	37	-2.0	-100.29	359.88	-2.52	-102.81
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CN([O-])C(=O)C=C2)CC1	REAL300025053871	0	40	-2.0	-108.26	372.79	-0.87	-109.13
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=NC(=O)[N-]C(=O)N2)CC1	REAL300025054030	0	38	-2.0	-90.21	363.72	-8.02	-98.23
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=NC(=O)NC(=O)[N-]2)CC1	REAL300025054030	1	38	-2.0	-86.02	364.37	-7.27	-93.29
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)CN2[N-]C(=O)C=CC2=O)CC1	REAL300025054168	0	42	-2.0	-100.78	392.38	-4.38	-105.16
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300025054175	0	36	-2.0	-100.83	343.84	-3.96	-104.79
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=CN([O-])C(=O)NC2=O)CC1	REAL300025054186	0	40	-2.0	-90.92	374.56	-3.25	-94.17
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCC(C1)N2C(=O)C1=COC(=O)[N-]1	REAL300025055221	1	43	-2.0	-100.71	359.89	-0.32	-101.03
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCC(C1)N2C(=O)C1=CC(=O)N[N-]1	REAL300025055303	0	44	-2.0	-102.77	364.94	-0.76	-103.53
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCC(C1)N2C(=O)C1=NC(=O)N[N-]1	REAL300025055374	0	43	-2.0	-102.03	359.92	-1.17	-103.20
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=COC(=O)[N-]1)CC2	REAL300025055743	1	43	-2.0	-85.35	357.46	0.52	-84.83
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=CC(=O)N[N-]1)CC2	REAL300025055797	0	44	-2.0	-83.49	362.35	0.11	-83.38
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=NC(=O)N[N-]1)CC2	REAL300025055810	0	43	-2.0	-84.57	357.21	-0.36	-84.93
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300025055959	0	43	-2.0	-88.35	357.61	0.07	-88.28
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300025056105	0	43	-2.0	-107.16	360.13	-0.82	-107.98
O=C(CSC1=NNC(=O)[N-]1)N1C2CCCC1CN(C(=O)C1=COC(=O)[N-]1)C2	REAL300025056734	1	43	-2.0	-82.48	357.21	-0.07	-82.55
O=C(CSC1=NNC(=O)[N-]1)N1C2CCCC1CN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300025056816	0	44	-2.0	-82.39	362.37	-0.18	-82.57
O=C(CSC1=NNC(=O)[N-]1)N1C2CCCC1CN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300025056887	0	43	-2.0	-82.50	356.80	-0.77	-83.27
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCCC(C1)N2C(=O)C1=COC(=O)[N-]1	REAL300025057256	1	43	-2.0	-83.11	357.24	-0.00	-83.11
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)N[N-]1	REAL300025057310	0	44	-2.0	-82.86	362.12	-0.13	-82.99
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCCC(C1)N2C(=O)C1=NC(=O)N[N-]1	REAL300025057323	0	43	-2.0	-82.74	356.91	-0.72	-83.46
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300025057472	0	43	-2.0	-87.30	357.00	-0.09	-87.39
O=C(CSC1=NNC(=O)[N-]1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300025057618	0	43	-2.0	-87.25	357.39	-0.06	-87.31
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCN(C(=O)C3=COC(=O)[N-]3)C2)C1	REAL300025058800	1	43	-2.0	-88.54	378.17	-1.24	-89.78
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCN(C(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300025058882	0	44	-2.0	-88.44	381.65	-1.17	-89.61
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300025058953	0	43	-2.0	-89.46	376.16	-1.93	-91.39
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCN(C(=O)C3=COC(=O)[N-]3)C2)C1	REAL300025059322	1	43	-2.0	-88.54	378.17	-1.24	-89.78
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCN(C(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300025059376	0	44	-2.0	-88.44	381.65	-1.17	-89.61
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300025059389	0	43	-2.0	-89.46	376.16	-1.93	-91.39
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300025059538	0	43	-2.0	-91.74	376.65	-1.01	-92.75
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300025059684	0	43	-2.0	-91.74	376.65	-1.01	-92.75
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300025060291	1	42	-2.0	-87.85	364.27	-2.22	-90.07
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300025060364	0	45	-2.0	-92.32	386.61	-2.11	-94.43
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300025060389	0	44	-2.0	-83.36	378.42	-0.91	-84.27
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300025060420	0	43	-2.0	-86.66	370.65	-2.34	-89.00
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300025060557	0	42	-2.0	-87.27	363.92	-2.91	-90.18
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300025060624	0	46	-2.0	-89.01	393.38	-0.65	-89.66
CC1CC(NC(=O)C2=NC=CC=C2[O-])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025060872	1	45	-2.0	-96.05	380.11	1.33	-94.72
CC1CC(NC(=O)C2=COC(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061335	1	42	-2.0	-85.55	363.24	-3.09	-88.64
CC1CC(NC(=O)C2=C[N-]N=CC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061402	0	44	-2.0	-77.86	372.29	0.06	-77.80
CC1CC(NC(=O)C2=CC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061459	0	43	-2.0	-84.78	372.35	-2.49	-87.27
CC1CC(NC(=O)C2=NC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061491	0	42	-2.0	-84.96	366.95	-3.78	-88.74
CC1CC(NC(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061694	0	45	-2.0	-90.86	385.31	-1.90	-92.76
CC1CC(NC(=O)C2=CC=NC=C2[O-])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061812	1	45	-2.0	-95.55	378.13	1.23	-94.32
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061814	0	42	-2.0	-88.88	367.05	-1.99	-90.87
CC1CC(NC(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061894	0	46	-2.0	-87.25	390.84	-0.39	-87.64
CC1CC(NC(=O)C2=CC([O-])=CS2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025061978	0	43	-2.0	-94.07	381.54	-0.01	-94.08
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300025062083	0	42	-2.0	-91.36	365.57	-2.29	-93.65
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300025062808	0	41	-2.0	-98.51	369.63	-5.11	-103.62
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300025062856	0	43	-2.0	-100.02	387.26	-3.61	-103.63
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300025063196	0	43	-2.0	-112.68	375.55	1.10	-111.58
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300025063271	0	43	-2.0	-92.60	375.72	-3.57	-96.17
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=COC(=O)[N-]1	REAL300025063282	1	39	-2.0	-90.17	353.29	-3.07	-93.24
CCN1[N-]C(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025063387	0	46	-2.0	-96.37	402.65	-0.34	-96.71
CN1N=C(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025063413	0	42	-2.0	-99.82	375.66	-2.79	-102.61
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300025063465	0	41	-2.0	-88.98	362.26	-0.69	-89.67
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300025063523	0	40	-2.0	-92.46	358.13	-2.98	-95.44
C[PH](C)([O-])C(=O)C(=O)N1CCCC1CNC(=O)CSC1=NC(=O)NN1	REAL300025063528	0	45	-2.0	-94.89	392.45	-2.37	-97.26
C[PH](C)([O-])C(=O)C(=O)N1CCCC1CNC(=O)CSC1=NC(=O)[N-]N1	REAL300025063528	1	45	-2.0	-94.89	392.45	-2.37	-97.26
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC=CN([O-])C1=O	REAL300025063548	0	43	-2.0	-108.44	377.41	1.37	-107.07
CC1SC(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)=NC1=O	REAL300025063567	0	42	-2.0	-95.54	385.07	-2.29	-97.83
CC1=C([O-])N=C(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025063567	1	42	-2.0	-95.54	385.07	-2.29	-97.83
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300025063581	0	43	-2.0	-112.83	375.51	1.14	-111.69
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300025063602	0	43	-2.0	-110.94	384.22	1.25	-109.69
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)CC1=NC([O-])=CS1	REAL300025063703	0	42	-2.0	-111.56	388.12	-3.27	-114.83
CC1=CC(=O)C(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025063841	0	44	-2.0	-97.76	386.82	0.77	-96.99
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=NC(=O)N[N-]1	REAL300025063851	0	39	-2.0	-91.01	352.90	-3.70	-94.71
CN1[N-]C(C(=O)N2CCCC2CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025064017	0	43	-2.0	-95.38	380.86	-1.27	-96.65
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=NC=CC=C1[O-]	REAL300025064267	1	42	-2.0	-109.19	373.93	0.27	-108.92
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300025064356	0	41	-2.0	-97.78	373.44	-5.23	-103.01
O=C(CN1C(=O)[N-]NC1=O)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025064442	0	43	-2.0	-100.92	387.02	-3.55	-104.47
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=COC(=O)[N-]1	REAL300025065226	1	39	-2.0	-89.86	357.06	-4.18	-94.04
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC=C([O-])C=C1F	REAL300025065288	1	43	-2.0	-96.72	383.38	0.44	-96.28
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC([O-])=CC(=O)O1	REAL300025065291	0	42	-2.0	-90.13	381.71	-0.37	-90.50
O=C(CCC1=NC(=O)[N-]N1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065339	1	45	-2.0	-100.37	397.81	-3.50	-103.87
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=C[N-]N=CC1=O	REAL300025065348	0	41	-2.0	-95.32	356.99	0.89	-94.43
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC=CC(F)=C1[O-]	REAL300025065355	0	43	-2.0	-115.69	382.93	2.04	-113.65
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC=CC([O-])=C1F	REAL300025065410	1	43	-2.0	-110.48	383.25	0.42	-110.06
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC(=O)N[N-]1	REAL300025065474	0	40	-2.0	-91.73	361.88	-3.17	-94.90
C[PH](C)([O-])C(=O)C(=O)NCC1CCCN1C(=O)CSC1=NC(=O)NN1	REAL300025065479	0	45	-2.0	-94.78	394.80	-2.37	-97.15
C[PH](C)([O-])C(=O)C(=O)NCC1CCCN1C(=O)CSC1=NC(=O)[N-]N1	REAL300025065479	1	45	-2.0	-94.78	394.80	-2.37	-97.15
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300025065524	0	43	-2.0	-109.17	384.89	0.90	-108.27
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=NC(=O)N[N-]1	REAL300025065538	0	39	-2.0	-90.16	356.47	-4.47	-94.63
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC=CN([O-])C1=O	REAL300025065542	0	43	-2.0	-118.44	374.21	2.65	-115.79
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC(F)=CC=C1O	REAL300025065638	0	43	-2.0	-104.00	383.31	2.06	-101.94
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC(F)=CC=C1[O-]	REAL300025065638	1	43	-2.0	-104.00	383.31	2.06	-101.94
CC1=CC=NC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300025065679	0	45	-2.0	-109.17	394.26	0.96	-108.21
CC1=CC=NC(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300025065679	1	45	-2.0	-109.17	394.26	0.96	-108.21
O=C(CC1=NC([O-])=CS1)NCC1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025065812	0	42	-2.0	-113.03	388.39	-3.26	-116.29
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=C(O)C=CC=C1F	REAL300025065822	0	43	-2.0	-100.82	388.60	0.32	-100.50
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=C([O-])C=CC=C1F	REAL300025065822	1	43	-2.0	-100.82	388.60	0.32	-100.50
CC1=CC(=O)C(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025065907	0	44	-2.0	-98.08	390.59	0.63	-97.45
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300025065922	0	43	-2.0	-100.40	380.56	0.98	-99.42
CN1N=C(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025065964	0	42	-2.0	-98.61	379.21	-2.97	-101.58
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC=C(F)C(O)=C1	REAL300025066077	0	43	-2.0	-106.32	385.09	0.40	-105.92
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC=C(F)C([O-])=C1	REAL300025066077	1	43	-2.0	-106.32	385.09	0.40	-105.92
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025066122	0	41	-2.0	-90.62	375.00	-6.23	-96.85
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025066122	1	41	-2.0	-87.42	375.65	-5.47	-92.89
NC1=NC=C(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300025066156	1	43	-2.0	-90.62	380.46	-2.27	-92.89
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC=NC=C1[O-]	REAL300025066231	1	42	-2.0	-108.55	371.99	0.16	-108.39
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300025066236	0	39	-2.0	-94.25	356.63	-2.69	-96.94
CC1=C([O-])N=C(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025066251	1	42	-2.0	-95.05	388.43	-3.05	-98.10
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300025066342	0	43	-2.0	-90.20	384.98	-4.01	-94.21
CCN1[N-]C(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025066380	0	46	-2.0	-95.67	406.43	-0.53	-96.20
CN1[N-]C(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025066396	0	43	-2.0	-94.69	384.20	-1.43	-96.12
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC=C([O-])C(F)=C1	REAL300025066476	1	43	-2.0	-97.76	385.05	0.44	-97.32
CC1=CN=C(C(=O)NCC2CCCN2C(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300025066531	1	45	-2.0	-110.69	395.38	0.91	-109.78
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CC([O-])=CS1	REAL300025066543	0	40	-2.0	-101.58	371.11	-0.72	-102.30
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300025066554	0	43	-2.0	-109.55	384.52	0.90	-108.65
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025066648	0	41	-2.0	-88.71	372.84	-4.71	-93.42
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025066648	1	41	-2.0	-88.71	372.84	-4.71	-93.42
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300025066747	0	39	-2.0	-95.52	353.12	-2.84	-98.36
CC1(NC(=O)C2=COC(=O)[N-]2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067385	1	42	-2.0	-86.26	362.50	-3.23	-89.49
CN1N=C(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)[N-]C1=O	REAL300025067458	0	45	-2.0	-92.73	384.68	-2.00	-94.73
CC1(NC(=O)C2=C[N-]N=CC2=O)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067483	0	44	-2.0	-78.32	371.56	-0.07	-78.39
CC1(NC(=O)C2=CC(=O)N[N-]2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067514	0	43	-2.0	-86.17	367.33	-2.23	-88.40
CC1(NC(=O)C2=NC(=O)N[N-]2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025067651	0	42	-2.0	-86.32	361.96	-3.52	-89.84
CN1[N-]C(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300025067718	0	46	-2.0	-88.68	390.07	-0.53	-89.21
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300025067966	1	45	-2.0	-98.39	376.41	1.60	-96.79
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300025068429	1	42	-2.0	-91.84	359.40	-1.99	-93.83
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300025068496	0	44	-2.0	-88.99	377.25	-0.58	-89.57
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300025068553	0	43	-2.0	-88.75	364.27	-2.04	-90.79
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300025068585	0	42	-2.0	-91.10	359.04	-2.68	-93.78
CN1N=C(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)[N-]C1=O	REAL300025068788	0	45	-2.0	-92.93	381.70	-1.88	-94.81
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC=NC=C2[O-])CC1	REAL300025068906	0	45	-2.0	-98.85	379.26	-0.67	-99.52
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300025068908	0	42	-2.0	-94.17	359.20	-1.98	-96.15
CN1[N-]C(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300025068988	0	46	-2.0	-90.91	387.09	-0.32	-91.23
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC([O-])=CS2)CC1	REAL300025069072	0	43	-2.0	-97.16	373.56	-0.25	-97.41
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025069177	0	42	-2.0	-90.76	362.08	-1.76	-92.52
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1=COC(=O)[N-]1)C1CCCC1	REAL300025069949	1	45	-2.0	-87.83	393.80	-3.76	-91.59
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1=CC(=O)N[N-]1)C1CCCC1	REAL300025070027	0	46	-2.0	-86.29	398.63	-2.78	-89.07
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1=NC(=O)N[N-]1)C1CCCC1	REAL300025070095	0	45	-2.0	-87.27	393.22	-4.07	-91.34
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=COC(=O)[N-]1)C1CCCC1	REAL300025070451	1	45	-2.0	-90.52	393.38	-3.64	-94.16
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=CC(=O)N[N-]1)C1CCCC1	REAL300025070503	0	46	-2.0	-91.67	398.36	-2.36	-94.03
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=NC(=O)N[N-]1)C1CCCC1	REAL300025070513	0	45	-2.0	-94.42	396.70	-3.85	-98.27
O=C(CSC1=NNC(=O)[N-]1)NC(CNC(=O)C1=CC(=O)[N-]O1)C1CCCC1	REAL300025070658	0	45	-2.0	-97.35	393.10	-1.87	-99.22
O=C(CSC1=NNC(=O)[N-]1)NCC(NC(=O)C1=CC(=O)[N-]O1)C1CCCC1	REAL300025070797	0	45	-2.0	-90.95	393.38	-2.29	-93.24
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=COC(=O)[N-]1)CC2	REAL300025071127	1	43	-2.0	-85.35	357.46	0.52	-84.83
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=CC(=O)N[N-]1)CC2	REAL300025071209	0	44	-2.0	-83.49	362.35	0.11	-83.38
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=NC(=O)N[N-]1)CC2	REAL300025071280	0	43	-2.0	-84.57	357.21	-0.36	-84.93
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCC(C1)N2C(=O)C1=COC(=O)[N-]1	REAL300025071649	1	43	-2.0	-100.71	359.89	-0.32	-101.03
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCC(C1)N2C(=O)C1=CC(=O)N[N-]1	REAL300025071703	0	44	-2.0	-102.77	364.94	-0.76	-103.53
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCC(C1)N2C(=O)C1=NC(=O)N[N-]1	REAL300025071716	0	43	-2.0	-102.03	359.92	-1.17	-103.20
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300025071865	0	43	-2.0	-107.16	360.13	-0.82	-107.98
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300025072011	0	43	-2.0	-88.35	357.61	0.07	-88.28
CC1(NC(=O)C2=NNC(=O)[N-]C2=O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072878	0	41	-2.0	-97.15	368.92	-5.68	-102.83
CC1(NC(=O)CN2C(=O)[N-]NC2=O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025072919	0	43	-2.0	-106.09	384.14	-3.86	-109.95
CC1(NC(=O)C2=CN([O-])C(=O)C=C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073196	0	43	-2.0	-110.55	379.94	0.58	-109.97
CC1(NC(=O)C2=CC(=O)NC([O-])=C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073260	0	43	-2.0	-94.67	381.58	-4.28	-98.95
CC1(NC(=O)C2=COC(=O)[N-]2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073271	1	39	-2.0	-90.62	352.61	-4.47	-95.09
CCN1[N-]C(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025073364	0	46	-2.0	-98.69	402.99	-0.80	-99.49
CN1N=C(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025073386	0	42	-2.0	-103.05	375.70	-3.25	-106.30
CC1(NC(=O)C2=C[N-]N=CC2=O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073430	0	41	-2.0	-82.75	361.72	-1.33	-84.08
CC1(NC(=O)C2=CC(=O)N[N-]2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073481	0	40	-2.0	-95.11	358.44	-3.45	-98.56
CC1(NC(=O)C(=O)[PH](C)(C)[O-])CCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025073485	0	45	-2.0	-95.99	391.64	-2.50	-98.49
CC1(NC(=O)C(=O)[PH](C)(C)[O-])CCN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300025073485	1	45	-2.0	-95.99	391.64	-2.50	-98.49
CC1(NC(=O)C2=CC=CN([O-])C2=O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073504	0	43	-2.0	-99.83	377.70	0.73	-99.10
CC1SC(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300025073522	0	42	-2.0	-96.41	384.25	-3.37	-99.78
CC1=C([O-])N=C(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025073522	1	42	-2.0	-96.41	384.25	-3.37	-99.78
CC1(NC(=O)C2=CC(=O)N([O-])C=C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073532	0	43	-2.0	-110.67	380.32	0.56	-110.11
CC1(NC(=O)C2=CC=CC(=O)N2[O-])CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073550	0	43	-2.0	-126.03	377.57	1.46	-124.57
CC1(NC(=O)CC2=NC([O-])=CS2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073633	0	42	-2.0	-110.99	383.83	-3.59	-114.58
CC1=CC(=O)C(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025073751	0	44	-2.0	-99.24	387.19	0.23	-99.01
CC1(NC(=O)C2=NC(=O)N[N-]2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025073759	0	39	-2.0	-91.00	352.09	-4.79	-95.79
CN1[N-]C(C(=O)NC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025073898	0	43	-2.0	-97.83	381.18	-1.74	-99.57
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=NC=CC=C2O)C1	REAL300025074148	0	42	-2.0	-109.80	366.20	0.38	-109.42
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025074148	1	42	-2.0	-109.80	366.20	0.38	-109.42
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300025074237	0	41	-2.0	-98.95	365.79	-5.38	-104.33
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300025074323	0	43	-2.0	-90.56	382.72	-3.92	-94.48
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025075107	1	39	-2.0	-89.51	349.46	-3.44	-92.95
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300025075169	1	43	-2.0	-98.02	373.62	-0.40	-98.42
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300025075172	0	42	-2.0	-90.52	374.53	-0.90	-91.42
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025075229	0	41	-2.0	-92.80	367.25	-1.71	-94.51
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300025075236	0	43	-2.0	-113.66	376.39	0.98	-112.68
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300025075291	1	43	-2.0	-108.38	376.68	-0.36	-108.74
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025075355	0	40	-2.0	-92.33	354.32	-3.33	-95.66
CC1(NC(=O)CSC2=NC(=O)NN2)CCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300025075360	0	45	-2.0	-98.81	388.81	-2.52	-101.33
CC1(NC(=O)CSC2=NC(=O)[N-]N2)CCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300025075360	1	45	-2.0	-98.81	388.81	-2.52	-101.33
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300025075405	0	43	-2.0	-108.65	374.95	0.09	-108.56
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025075419	0	39	-2.0	-90.19	349.08	-4.08	-94.27
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300025075423	0	43	-2.0	-111.46	384.88	0.41	-111.05
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300025075519	0	43	-2.0	-101.44	373.39	1.21	-100.23
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300025075519	1	43	-2.0	-101.44	373.39	1.21	-100.23
CC1=CC=NC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300025075560	0	45	-2.0	-109.66	386.54	1.07	-108.59
CC1=CC=NC(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300025075560	1	45	-2.0	-109.66	386.54	1.07	-108.59
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300025075693	0	42	-2.0	-102.20	383.50	-3.57	-105.77
CC1=CC(=O)C(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025075788	0	44	-2.0	-98.38	382.98	0.48	-97.90
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300025075803	0	43	-2.0	-114.15	384.11	0.18	-113.97
CN1N=C(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025075845	0	42	-2.0	-99.54	371.76	-3.15	-102.69
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300025075958	0	43	-2.0	-94.16	376.83	-0.38	-94.54
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300025075958	1	43	-2.0	-94.16	376.83	-0.38	-94.54
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300025076003	0	41	-2.0	-90.14	367.33	-5.76	-95.90
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300025076003	1	41	-2.0	-88.08	367.76	-5.02	-93.10
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300025076037	1	43	-2.0	-100.39	383.02	-3.04	-103.43
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300025076112	0	42	-2.0	-105.98	366.09	-0.91	-106.89
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025076117	0	39	-2.0	-94.89	349.31	-3.18	-98.07
CC1=C([O-])N=C(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025076132	1	42	-2.0	-94.46	381.26	-2.65	-97.11
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300025076223	0	43	-2.0	-95.77	375.29	-4.82	-100.59
CCN1[N-]C(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025076261	0	46	-2.0	-96.32	398.86	-0.69	-97.01
CN1[N-]C(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025076277	0	43	-2.0	-95.24	377.05	-1.62	-96.86
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300025076357	1	43	-2.0	-97.45	376.82	-0.33	-97.78
CC1=CN=C(C(=O)N2CCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300025076412	1	45	-2.0	-111.36	387.65	1.02	-110.34
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC([O-])=CS2)C1	REAL300025076424	0	40	-2.0	-103.20	361.68	-1.39	-104.59
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300025076435	0	43	-2.0	-104.56	384.81	0.42	-104.14
CC1(NC(=O)C2=NC(=O)[N-]C(=O)N2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076512	0	41	-2.0	-88.05	371.26	-5.79	-93.84
CC1(NC(=O)C2=NC(=O)NC(=O)[N-]2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076512	1	41	-2.0	-88.05	371.26	-5.79	-93.84
CC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025076599	0	39	-2.0	-95.61	352.23	-3.02	-98.63
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025077315	1	42	-2.0	-86.55	372.59	-2.55	-89.10
CN1N=C(C(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025077399	0	45	-2.0	-94.79	394.90	-2.25	-97.04
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025077427	0	44	-2.0	-87.50	391.49	-0.87	-88.37
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025077461	0	43	-2.0	-87.89	377.45	-2.45	-90.34
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025077622	0	42	-2.0	-86.81	372.23	-3.18	-89.99
CN1[N-]C(C(=O)N2CCC(C)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025077705	0	46	-2.0	-90.64	400.19	-0.74	-91.38
CC1(CNC(=O)C2=NC=CC=C2[O-])CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025077953	1	45	-2.0	-98.16	392.96	0.82	-97.34
CC1(CNC(=O)C2=COC(=O)[N-]2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078416	1	42	-2.0	-92.07	375.79	-3.52	-95.59
CC1(CNC(=O)C2=C[N-]N=CC2=O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078483	0	44	-2.0	-85.61	384.84	-0.37	-85.98
CC1(CNC(=O)C2=CC(=O)N[N-]2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078540	0	43	-2.0	-91.69	380.62	-2.52	-94.21
CC1(CNC(=O)C2=NC(=O)N[N-]2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078572	0	42	-2.0	-89.32	375.50	-3.92	-93.24
CN1N=C(C(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025078775	0	45	-2.0	-95.47	397.80	-2.53	-98.00
CC1(CNC(=O)C2=CC=NC=C2[O-])CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078893	1	45	-2.0	-96.47	391.01	0.70	-95.77
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025078895	0	42	-2.0	-95.16	375.36	-2.04	-97.20
CN1[N-]C(C(=O)NCC2(C)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025078975	0	46	-2.0	-90.14	403.72	-0.92	-91.06
CC1(CNC(=O)C2=CC([O-])=CS2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025079059	0	43	-2.0	-97.78	389.78	-0.27	-98.05
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025079178	0	42	-2.0	-91.38	372.44	-2.32	-93.70
CC1(CNC(=O)C2=COC(=O)[N-]2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079510	1	45	-2.0	-87.15	382.97	-2.96	-90.11
CC1(CNC(=O)C2=CC(=O)N[N-]2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079588	0	46	-2.0	-87.03	387.80	-1.96	-88.99
CC1(CNC(=O)C2=NC(=O)N[N-]2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025079656	0	45	-2.0	-87.02	382.37	-3.27	-90.29
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300025080012	1	45	-2.0	-85.90	379.84	-1.71	-87.61
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300025080064	0	46	-2.0	-87.87	384.49	-1.80	-89.67
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300025080074	0	45	-2.0	-87.34	379.15	-2.42	-89.76
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300025080219	0	45	-2.0	-91.70	379.65	-1.70	-93.40
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025080358	0	45	-2.0	-91.28	382.54	-1.47	-92.75
CC1(CNC(=O)C2=COC(=O)[N-]2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080677	1	45	-2.0	-94.96	385.26	-2.52	-97.48
CC1(CNC(=O)C2=CC(=O)N[N-]2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080755	0	46	-2.0	-90.60	390.08	-1.54	-92.14
CC1(CNC(=O)C2=NC(=O)N[N-]2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025080823	0	45	-2.0	-93.80	384.67	-2.82	-96.62
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025081179	1	45	-2.0	-84.73	381.77	-1.27	-86.00
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025081231	0	46	-2.0	-87.70	386.79	-1.37	-89.07
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025081241	0	45	-2.0	-85.58	381.53	-1.98	-87.56
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025081386	0	45	-2.0	-91.88	381.73	-1.38	-93.26
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025081525	0	45	-2.0	-95.10	384.83	-1.06	-96.16
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=COC(=O)[N-]2)CCOCC1	REAL300025081808	1	43	-2.0	-91.41	376.65	-5.85	-97.26
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=CC(=O)N[N-]2)CCOCC1	REAL300025081874	0	44	-2.0	-92.06	381.47	-4.86	-96.92
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=NNC(=O)[N-]2)CCOCC1	REAL300025081931	0	43	-2.0	-94.81	376.15	-6.30	-101.11
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=COC(=O)[N-]2)CCOCC1	REAL300025082210	1	43	-2.0	-88.77	376.83	-5.82	-94.59
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC(=O)N[N-]2)CCOCC1	REAL300025082254	0	44	-2.0	-90.17	381.67	-4.83	-95.00
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=NC(=O)N[N-]2)CCOCC1	REAL300025082261	0	43	-2.0	-89.34	376.26	-6.14	-95.48
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCOCC1	REAL300025082358	0	43	-2.0	-94.58	376.41	-4.34	-98.92
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCOCC1	REAL300025082459	0	43	-2.0	-95.64	376.22	-4.38	-100.02
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(CNC(=O)C2=COC(=O)[N-]2)C1	REAL300025083229	1	40	-2.0	-89.39	368.33	-7.39	-96.78
CN1N=C(C(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025083309	0	43	-2.0	-94.07	391.38	-6.16	-100.23
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(CNC(=O)C2=C[N-]N=CC2=O)C1	REAL300025083334	0	42	-2.0	-81.35	377.38	-4.24	-85.59
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300025083366	0	41	-2.0	-88.28	374.06	-6.35	-94.63
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300025083512	0	40	-2.0	-89.73	368.65	-7.65	-97.38
CN1[N-]C(C(=O)NCC2(O)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025083587	0	44	-2.0	-90.60	395.98	-4.68	-95.28
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025083824	1	43	-2.0	-104.10	382.52	-2.54	-106.64
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025084251	1	40	-2.0	-89.10	366.02	-6.49	-95.59
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025084312	0	42	-2.0	-89.97	384.49	-4.58	-94.55
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025084365	0	41	-2.0	-89.90	370.87	-6.25	-96.15
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025084393	0	40	-2.0	-89.24	365.65	-7.09	-96.33
CN1N=C(C(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025084576	0	43	-2.0	-96.82	388.38	-6.08	-102.90
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300025084680	0	43	-2.0	-102.59	383.25	-4.22	-106.81
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025084682	0	40	-2.0	-93.05	365.96	-6.05	-99.10
CN1[N-]C(C(=O)N2CCC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025084756	0	44	-2.0	-92.74	393.61	-4.55	-97.29
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CCN(C(=O)C2=CC([O-])=CS2)C1	REAL300025084831	0	41	-2.0	-100.81	377.47	-4.27	-105.08
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300025084936	0	40	-2.0	-92.74	367.90	-5.91	-98.65
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CNC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300025085632	0	39	-2.0	-92.62	370.05	-9.12	-101.74
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CNC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300025086007	0	41	-2.0	-106.68	381.04	-3.07	-109.75
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CNC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300025086076	0	41	-2.0	-88.62	381.59	-7.90	-96.52
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CNC(=O)C2=COC(=O)[N-]2)C1	REAL300025086086	1	37	-2.0	-88.43	353.66	-8.06	-96.49
CCN1[N-]C(C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025086189	0	44	-2.0	-90.52	403.03	-4.42	-94.94
CN1N=C(C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025086213	0	40	-2.0	-93.77	375.74	-6.86	-100.63
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CNC(=O)C2=C[N-]N=CC2=O)C1	REAL300025086260	0	39	-2.0	-79.09	362.71	-4.91	-84.00
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300025086314	0	38	-2.0	-87.61	358.49	-7.06	-94.67
C[PH](C)([O-])C(=O)C(=O)NCC1(O)CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025086319	0	43	-2.0	-92.08	390.80	-6.17	-98.25
C[PH](C)([O-])C(=O)C(=O)NCC1(O)CN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300025086319	1	43	-2.0	-92.08	390.80	-6.17	-98.25
O=C(CCC1=NC(=O)NN1)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086337	0	43	-2.0	-100.93	394.32	-7.47	-108.40
O=C(CCC1=NC(=O)[N-]N1)NCC1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025086337	1	43	-2.0	-100.93	394.32	-7.47	-108.40
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CNC(=O)C2=CC=CN([O-])C2=O)C1	REAL300025086339	0	41	-2.0	-98.49	378.71	-2.83	-101.32
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CNC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300025086367	0	41	-2.0	-107.50	381.41	-3.09	-110.59
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CNC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300025086387	0	41	-2.0	-118.36	378.63	-1.99	-120.35
CC1=CC(=O)C(C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025086614	0	42	-2.0	-89.73	387.21	-3.26	-92.99
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CNC(=O)C2=NNC(=O)[N-]2)C1	REAL300025086623	0	37	-2.0	-91.28	352.98	-8.53	-99.81
CN1[N-]C(C(=O)NCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025086780	0	41	-2.0	-89.91	381.31	-5.35	-95.26
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=NC=CC=C2O)C1	REAL300025087030	0	40	-2.0	-103.95	367.83	-3.53	-107.48
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025087030	1	40	-2.0	-103.95	367.83	-3.53	-107.48
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300025087119	0	39	-2.0	-96.03	366.83	-9.09	-105.12
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025087940	1	37	-2.0	-91.08	351.35	-7.60	-98.68
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300025087999	1	41	-2.0	-95.02	378.01	-3.87	-98.89
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300025088002	0	40	-2.0	-91.44	376.20	-4.48	-95.92
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300025088046	1	43	-2.0	-100.86	394.32	-7.47	-108.33
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025088055	0	39	-2.0	-93.85	359.48	-4.31	-98.16
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300025088062	0	41	-2.0	-109.40	377.57	-2.36	-111.76
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300025088112	1	41	-2.0	-106.38	377.87	-3.87	-110.25
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025088172	0	38	-2.0	-91.17	355.57	-7.03	-98.20
C[PH](C)([O-])C(=O)C(=O)N1CC(O)(CNC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300025088177	1	43	-2.0	-97.06	394.22	-6.32	-103.38
CN1[N-]C(CC(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025088181	0	44	-2.0	-101.40	401.91	-4.72	-106.12
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300025088222	0	41	-2.0	-107.88	377.20	-3.45	-111.33
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025088236	0	37	-2.0	-91.41	350.31	-8.07	-99.48
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300025088239	0	41	-2.0	-113.10	385.11	-3.18	-116.28
NC1=CC(=O)[N-]C(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300025088309	0	41	-2.0	-99.80	379.99	-7.48	-107.28
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300025088332	1	41	-2.0	-100.77	377.39	-2.42	-103.19
CC1=CC=NC(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300025088372	1	43	-2.0	-103.78	388.16	-2.84	-106.62
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300025088504	0	41	-2.0	-99.14	385.20	-3.60	-102.74
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300025088505	0	41	-2.0	-103.66	377.75	-2.35	-106.01
CC1=CC(=O)C(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025088586	0	42	-2.0	-95.22	384.59	-3.31	-98.53
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300025088600	0	41	-2.0	-123.49	373.95	-2.49	-125.98
CN1N=C(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025088641	0	40	-2.0	-97.48	373.58	-6.82	-104.30
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300025088748	1	41	-2.0	-103.50	377.46	-3.97	-107.47
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300025088790	0	39	-2.0	-87.69	369.60	-9.00	-96.69
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300025088790	1	39	-2.0	-87.69	369.60	-9.00	-96.69
NC1=NC=C(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N1	REAL300025088822	0	41	-2.0	-98.25	383.26	-6.62	-104.87
NC1=NC=C(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300025088822	1	41	-2.0	-98.25	383.26	-6.62	-104.87
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025088895	0	37	-2.0	-95.14	351.20	-6.71	-101.85
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300025088993	0	41	-2.0	-90.42	377.36	-8.42	-98.84
CCN1[N-]C(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025089029	0	44	-2.0	-94.34	400.12	-4.39	-98.73
CN1[N-]C(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025089044	0	41	-2.0	-93.62	379.00	-5.33	-98.95
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=CC=C(O)C(F)=C2)C1	REAL300025089122	0	41	-2.0	-96.93	377.42	-3.92	-100.85
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300025089122	1	41	-2.0	-96.93	377.42	-3.92	-100.85
CC1=CN=C(C(=O)N2CC(O)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300025089173	1	43	-2.0	-105.40	389.28	-2.90	-108.30
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300025089184	0	38	-2.0	-101.32	363.45	-4.98	-106.30
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300025089195	0	41	-2.0	-107.08	376.79	-3.46	-110.54
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CNC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300025089286	0	39	-2.0	-85.30	372.26	-9.37	-94.67
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CNC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300025089286	1	39	-2.0	-85.30	372.26	-9.37	-94.67
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300025089374	0	37	-2.0	-93.15	353.23	-6.58	-99.73
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CC(NC(=O)C1=COC(=O)N1)C2	REAL300025089733	0	43	-2.0	-114.39	347.95	-0.55	-114.94
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CC(NC(=O)C1=COC(=O)[N-]1)C2	REAL300025089733	1	43	-2.0	-114.39	347.95	-0.55	-114.94
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CC(NC(=O)C1=CC(=O)N[N-]1)C2	REAL300025089815	0	44	-2.0	-101.12	380.74	-1.83	-102.95
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CC(NC(=O)C1=NNC(=O)[N-]1)C2	REAL300025089886	0	43	-2.0	-105.56	375.34	-3.28	-108.84
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CC(C1)N(C(=O)C1=COC(=O)[N-]1)C2	REAL300025090255	1	43	-2.0	-106.59	355.41	0.11	-106.48
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CC(C1)N(C(=O)C1=CC(=O)N[N-]1)C2	REAL300025090309	0	44	-2.0	-101.69	360.61	-0.21	-101.90
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CC(C1)N(C(=O)C1=NC(=O)N[N-]1)C2	REAL300025090322	0	43	-2.0	-105.38	355.04	-0.83	-106.21
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300025090471	0	43	-2.0	-111.39	355.86	-0.17	-111.56
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300025090617	0	43	-2.0	-103.19	375.49	-1.34	-104.53
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025091370	1	42	-2.0	-88.75	376.31	-2.70	-91.45
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300025091454	0	45	-2.0	-97.95	399.04	-2.21	-100.16
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025091482	0	44	-2.0	-89.85	394.66	-0.80	-90.65
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025091516	0	43	-2.0	-90.82	381.15	-2.46	-93.28
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025091677	0	42	-2.0	-88.07	376.50	-3.20	-91.27
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300025091760	0	46	-2.0	-93.64	403.88	-0.75	-94.39
CC(NC(=O)C1=NC=CC=C1[O-])C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092008	1	45	-2.0	-102.40	396.85	0.97	-101.43
CC(NC(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092471	1	42	-2.0	-85.08	380.08	-3.51	-88.59
CC(NC(=O)C1=C[N-]N=CC1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092538	0	44	-2.0	-85.01	389.01	-0.32	-85.33
CC(NC(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092595	0	43	-2.0	-85.38	384.90	-2.52	-87.90
CC(NC(=O)C1=NC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092627	0	42	-2.0	-84.97	379.50	-3.82	-88.79
CC(NC(=O)C1=NN(C)C(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092830	0	45	-2.0	-97.27	402.12	-2.28	-99.55
CC(NC(=O)C1=CC=NC=C1[O-])C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092948	1	45	-2.0	-101.32	394.85	0.86	-100.46
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025092950	0	42	-2.0	-89.78	379.65	-2.03	-91.81
CC(NC(=O)C1=CC(=O)N(C)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025093030	0	46	-2.0	-87.92	407.72	-0.80	-88.72
CC(NC(=O)C1=CC([O-])=CS1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025093114	0	43	-2.0	-99.61	394.02	0.00	-99.61
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025093233	0	42	-2.0	-93.56	376.26	-2.25	-95.81
CC1CN(C(=O)C2=COC(=O)[N-]2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025093937	1	42	-2.0	-86.95	376.15	-2.61	-89.56
CC1CN(C(=O)C2=NN(C)C(=O)[N-]2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094021	0	45	-2.0	-95.06	399.17	-2.33	-97.39
CC1CN(C(=O)C2=C[N-]N=CC2=O)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094049	0	44	-2.0	-87.94	395.04	-0.94	-88.88
CC1CN(C(=O)C2=CC(=O)N[N-]2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094083	0	43	-2.0	-88.28	381.01	-2.51	-90.79
CC1CN(C(=O)C2=NC(=O)N[N-]2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094244	0	42	-2.0	-86.74	369.96	-3.46	-90.20
CC1CN(C(=O)C2=CC(=O)N(C)[N-]2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025094327	0	46	-2.0	-90.96	403.74	-0.81	-91.77
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=NC=CC=C1[O-]	REAL300025094575	1	45	-2.0	-98.31	392.08	0.58	-97.73
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=COC(=O)[N-]1	REAL300025095038	1	42	-2.0	-93.59	373.63	-3.79	-97.38
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=C[N-]N=CC1=O	REAL300025095105	0	44	-2.0	-81.85	388.69	-0.54	-82.39
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=CC(=O)N[N-]1	REAL300025095162	0	43	-2.0	-87.52	384.46	-2.70	-90.22
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=NC(=O)N[N-]1	REAL300025095194	0	42	-2.0	-93.89	373.05	-4.08	-97.97
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=NN(C)C(=O)[N-]1	REAL300025095397	0	45	-2.0	-101.36	395.71	-2.58	-103.94
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=CC=NC=C1[O-]	REAL300025095515	1	45	-2.0	-96.68	394.57	0.64	-96.04
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300025095517	0	42	-2.0	-97.82	373.20	-2.30	-100.12
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=CC(=O)N(C)[N-]1	REAL300025095597	0	46	-2.0	-90.13	402.85	-1.16	-91.29
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=CC([O-])=CS1	REAL300025095681	0	43	-2.0	-104.05	387.69	-0.34	-104.39
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025095800	0	42	-2.0	-91.73	376.00	-2.38	-94.11
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CN(C(=O)C3=COC(=O)[N-]3)C[C@H]2C1	REAL300025097053	1	40	-2.0	-97.37	357.34	-2.03	-99.40
CN1N=C(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)[N-]C1=O	REAL300025097140	0	43	-2.0	-102.77	378.47	-1.60	-104.37
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CN(C(=O)C3=C[N-]N=CC3=O)C[C@H]2C1	REAL300025097172	0	42	-2.0	-100.49	375.99	-0.16	-100.65
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CN(C(=O)C3=CC(=O)N[N-]3)C[C@H]2C1	REAL300025097206	0	41	-2.0	-86.31	359.15	-1.76	-88.07
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CN(C(=O)C3=NC(=O)N[N-]3)C[C@H]2C1	REAL300025097375	0	40	-2.0	-98.33	356.22	-2.63	-100.96
CN1[N-]C(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)=CC1=O	REAL300025097462	0	44	-2.0	-88.88	381.96	-0.05	-88.93
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CN(C(=O)C3=NC=CC=C3[O-])C[C@H]2C1	REAL300025097711	1	43	-2.0	-110.01	373.57	1.94	-108.07
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CN(C(=O)C3=COC(=O)[N-]3)C[C@H]2C1	REAL300025098186	1	40	-2.0	-97.37	357.34	-2.03	-99.40
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CN(C(=O)C3=C[N-]N=CC3=O)C[C@H]2C1	REAL300025098256	0	42	-2.0	-100.49	375.99	-0.16	-100.65
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CN(C(=O)C3=CC(=O)N[N-]3)C[C@H]2C1	REAL300025098315	0	41	-2.0	-86.31	359.15	-1.76	-88.07
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CN(C(=O)C3=NC(=O)N[N-]3)C[C@H]2C1	REAL300025098349	0	40	-2.0	-98.33	356.22	-2.63	-100.96
CN1N=C(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)[N-]C1=O	REAL300025098563	0	43	-2.0	-102.77	378.47	-1.60	-104.37
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CN(C(=O)C3=CC=NC=C3[O-])C[C@H]2C1	REAL300025098693	0	43	-2.0	-113.43	372.88	0.59	-112.84
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300025098696	0	40	-2.0	-100.92	357.26	-1.61	-102.53
CN1[N-]C(C(=O)N2C[C@@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]3C2)=CC1=O	REAL300025098783	0	44	-2.0	-88.88	381.96	-0.05	-88.93
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CN(C(=O)C3=CC([O-])=CS3)C[C@@H]2C1	REAL300025098873	0	41	-2.0	-97.44	367.04	0.05	-97.39
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300025098998	0	40	-2.0	-100.92	357.26	-1.61	-102.53
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CO)(NC(=O)C2=COC(=O)[N-]2)C1	REAL300025099603	1	43	-2.0	-101.45	375.49	-6.44	-107.89
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CO)(NC(=O)C2=CC(=O)N[N-]2)C1	REAL300025099660	0	44	-2.0	-95.80	380.32	-5.45	-101.25
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CO)(NC(=O)C2=NC(=O)N[N-]2)C1	REAL300025099706	0	43	-2.0	-100.08	374.91	-6.73	-106.81
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025100011	1	43	-2.0	-87.92	371.74	-5.20	-93.12
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025100057	0	44	-2.0	-90.05	377.21	-5.26	-95.31
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025100066	0	43	-2.0	-88.03	371.83	-5.84	-93.87
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025100185	0	43	-2.0	-95.35	371.62	-5.32	-100.67
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300025100293	0	43	-2.0	-100.38	375.06	-4.95	-105.33
O=C(CSC1=NNC(=O)[N-]1)N1CCC2C1CCCN2C(=O)C1=COC(=O)[N-]1	REAL300025100620	1	43	-2.0	-82.78	365.72	-0.78	-83.56
O=C(CSC1=NNC(=O)[N-]1)N1CCC2C1CCCN2C(=O)C1=CC(=O)N[N-]1	REAL300025100702	0	44	-2.0	-83.24	370.30	-0.89	-84.13
O=C(CSC1=NNC(=O)[N-]1)N1CCC2C1CCCN2C(=O)C1=NC(=O)N[N-]1	REAL300025100773	0	43	-2.0	-82.66	365.39	-1.48	-84.14
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2C1CCN2C(=O)C1=COC(=O)[N-]1	REAL300025101106	1	43	-2.0	-87.41	365.99	-1.29	-88.70
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2C1CCN2C(=O)C1=CC(=O)N[N-]1	REAL300025101158	0	44	-2.0	-86.00	370.87	-1.00	-87.00
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2C1CCN2C(=O)C1=NC(=O)N[N-]1	REAL300025101168	0	43	-2.0	-86.54	365.39	-1.81	-88.35
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2C1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300025101288	0	43	-2.0	-89.09	365.85	-0.78	-89.87
O=C(CSC1=NNC(=O)[N-]1)N1CCC2C1CCCN2C(=O)C1=CC(=O)[N-]O1	REAL300025101418	0	43	-2.0	-88.03	365.55	-0.88	-88.91
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCCN(C(=O)C3=COC(=O)[N-]3)[C@@H]2C1	REAL300025101714	1	43	-2.0	-90.93	368.67	-0.83	-91.76
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCCN(C(=O)C3=CC(=O)N[N-]3)[C@@H]2C1	REAL300025101785	0	44	-2.0	-91.11	372.99	-0.71	-91.82
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCCN(C(=O)C3=NC(=O)N[N-]3)[C@@H]2C1	REAL300025101841	0	43	-2.0	-85.98	369.47	-1.21	-87.19
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]2CN(C(=O)C3=COC(=O)[N-]3)C[C@H]21	REAL300025102201	1	43	-2.0	-102.27	364.17	-1.39	-103.66
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]2CN(C(=O)C3=CC(=O)N[N-]3)C[C@H]21	REAL300025102255	0	44	-2.0	-90.76	373.72	-0.94	-91.70
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]2CN(C(=O)C3=NC(=O)N[N-]3)C[C@H]21	REAL300025102268	0	43	-2.0	-99.97	364.13	-2.11	-102.08
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]21	REAL300025102417	0	43	-2.0	-95.38	368.71	-0.80	-96.18
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300025102556	0	43	-2.0	-96.73	368.86	-0.84	-97.57
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025103245	1	42	-2.0	-90.66	377.82	-2.74	-93.40
CN1N=C(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025103329	0	45	-2.0	-99.58	400.30	-2.30	-101.88
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025103357	0	44	-2.0	-93.05	396.71	-0.80	-93.85
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025103391	0	43	-2.0	-92.68	382.67	-2.50	-95.18
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025103552	0	42	-2.0	-91.08	377.66	-3.32	-94.40
CN1[N-]C(C(=O)N2CCC(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025103635	0	46	-2.0	-95.49	405.60	-0.77	-96.26
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CCNC(=O)C2=NC=CC=C2[O-])C1	REAL300025103883	1	45	-2.0	-104.84	398.17	0.88	-103.96
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CCNC(=O)C2=COC(=O)[N-]2)C1	REAL300025104346	1	42	-2.0	-88.37	381.29	-3.57	-91.94
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CCNC(=O)C2=C[N-]N=CC2=O)C1	REAL300025104413	0	44	-2.0	-81.67	390.34	-0.42	-82.09
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CCNC(=O)C2=CC(=O)N[N-]2)C1	REAL300025104470	0	43	-2.0	-89.95	386.12	-2.58	-92.53
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CCNC(=O)C2=NC(=O)N[N-]2)C1	REAL300025104502	0	42	-2.0	-88.76	380.72	-3.87	-92.63
CN1N=C(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025104705	0	45	-2.0	-96.88	403.44	-2.38	-99.26
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CCNC(=O)C2=CC=NC=C2[O-])C1	REAL300025104823	1	45	-2.0	-105.06	396.22	0.76	-104.30
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300025104825	0	42	-2.0	-93.66	380.86	-2.10	-95.76
CN1[N-]C(C(=O)NCCC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025104905	0	46	-2.0	-92.81	408.93	-0.87	-93.68
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CCNC(=O)C2=CC([O-])=CS2)C1	REAL300025104989	0	43	-2.0	-100.30	395.34	-0.11	-100.41
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025105108	0	42	-2.0	-95.23	377.95	-2.28	-97.51
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CC[C@H](NC(=O)C2=COC(=O)[N-]2)CC1	REAL300025105700	1	45	-2.0	-86.77	397.28	-3.88	-90.65
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CC[C@H](NC(=O)C2=CC(=O)N[N-]2)CC1	REAL300025105778	0	46	-2.0	-87.96	402.10	-2.89	-90.85
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CC[C@H](NC(=O)C2=NC(=O)N[N-]2)CC1	REAL300025105846	0	45	-2.0	-87.00	396.70	-4.20	-91.20
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CC[C@H](CNC(=O)C2=COC(=O)[N-]2)CC1	REAL300025106202	1	45	-2.0	-88.95	397.28	-3.90	-92.85
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CC[C@H](CNC(=O)C2=CC(=O)N[N-]2)CC1	REAL300025106254	0	46	-2.0	-88.25	402.11	-2.89	-91.14
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CC[C@H](CNC(=O)C2=NC(=O)N[N-]2)CC1	REAL300025106264	0	45	-2.0	-88.55	396.70	-4.19	-92.74
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CC[C@H](CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300025106409	0	45	-2.0	-92.45	396.85	-2.41	-94.86
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CC[C@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300025106548	0	45	-2.0	-91.55	396.85	-2.42	-93.97
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CN(C(=O)C3=COC(=O)[N-]3)C2)CC1	REAL300025106878	1	43	-2.0	-89.81	377.78	-1.65	-91.46
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CN(C(=O)C3=CC(=O)N[N-]3)C2)CC1	REAL300025106960	0	44	-2.0	-89.75	382.61	-1.06	-90.81
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CN(C(=O)C3=NC(=O)N[N-]3)C2)CC1	REAL300025107031	0	43	-2.0	-90.01	377.35	-2.11	-92.12
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=COC(=O)[N-]1)CC2	REAL300025107400	1	43	-2.0	-84.42	376.12	-0.80	-85.22
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=CC(=O)N[N-]1)CC2	REAL300025107454	0	44	-2.0	-89.41	381.73	-0.89	-90.30
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=NC(=O)N[N-]1)CC2	REAL300025107467	0	43	-2.0	-89.86	375.81	-1.48	-91.34
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300025107616	0	43	-2.0	-94.87	376.66	-0.86	-95.73
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300025107762	0	43	-2.0	-93.82	377.64	-0.72	-94.54
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC1CNC(=O)C1=COC(=O)[N-]1	REAL300025108403	1	40	-2.0	-89.30	357.04	-5.88	-95.18
CN1N=C(C(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025108483	0	43	-2.0	-98.36	379.80	-4.64	-103.00
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC1CNC(=O)C1=C[N-]N=CC1=O	REAL300025108508	0	42	-2.0	-84.64	366.09	-2.72	-87.36
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC1CNC(=O)C1=CC(=O)N[N-]1	REAL300025108540	0	41	-2.0	-91.60	361.86	-4.89	-96.49
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC1CNC(=O)C1=NC(=O)N[N-]1	REAL300025108686	0	40	-2.0	-89.88	357.15	-6.15	-96.03
CN1[N-]C(C(=O)NCC2COCCN2C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025108761	0	44	-2.0	-94.60	385.37	-3.15	-97.75
O=C(CSC1=NNC(=O)[N-]1)NCC1COCCN1C(=O)C1=NC=CC=C1[O-]	REAL300025108998	1	43	-2.0	-105.94	372.83	-0.81	-106.75
O=C(CSC1=NNC(=O)[N-]1)NCC1COCCN1C(=O)C1=COC(=O)[N-]1	REAL300025109348	1	40	-2.0	-87.73	352.60	-3.63	-91.36
O=C(CSC1=NNC(=O)[N-]1)NCC1COCCN1C(=O)C1=C[N-]N=CC1=O	REAL300025109406	0	42	-2.0	-84.52	365.12	-2.30	-86.82
O=C(CSC1=NNC(=O)[N-]1)NCC1COCCN1C(=O)C1=CC(=O)N[N-]1	REAL300025109451	0	41	-2.0	-93.69	357.48	-3.83	-97.52
O=C(CSC1=NNC(=O)[N-]1)NCC1COCCN1C(=O)C1=NC(=O)N[N-]1	REAL300025109473	0	40	-2.0	-89.96	352.25	-4.42	-94.38
CN1N=C(C(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025109628	0	43	-2.0	-100.27	375.18	-3.51	-103.78
O=C(CSC1=NNC(=O)[N-]1)NCC1COCCN1C(=O)C1=CC=NC=C1[O-]	REAL300025109715	0	43	-2.0	-103.73	374.12	-2.50	-106.23
O=C(CSC1=NNC(=O)[N-]1)NCC1COCCN1C(=O)C1=CC(=O)[N-]O1	REAL300025109717	0	40	-2.0	-96.84	352.61	-3.61	-100.45
CN1[N-]C(C(=O)N2CCOCC2CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025109782	0	44	-2.0	-95.12	380.40	-1.99	-97.11
O=C(CSC1=NNC(=O)[N-]1)NCC1COCCN1C(=O)C1=CC([O-])=CS1	REAL300025109842	0	41	-2.0	-104.28	368.37	-2.04	-106.32
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300025109944	0	40	-2.0	-93.83	356.61	-4.40	-98.23
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCCN1C(=O)C1=COC(=O)[N-]1	REAL300025110599	1	42	-2.0	-89.54	361.28	-1.25	-90.79
CN1N=C(C(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025110672	0	45	-2.0	-102.79	383.62	-1.14	-103.93
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCCN1C(=O)C1=C[N-]N=CC1=O	REAL300025110697	0	44	-2.0	-85.99	375.21	0.06	-85.93
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCCN1C(=O)C1=CC(=O)N[N-]1	REAL300025110728	0	43	-2.0	-95.92	366.42	-1.44	-97.36
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCCN1C(=O)C1=NC(=O)N[N-]1	REAL300025110865	0	42	-2.0	-91.42	360.94	-1.93	-93.35
CN1[N-]C(C(=O)N2CCCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025110932	0	46	-2.0	-98.83	389.14	0.28	-98.55
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@@H]1CNC(=O)C1=NC=CC=C1[O-]	REAL300025111180	1	45	-2.0	-112.64	383.27	0.99	-111.65
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@@H]1CNC(=O)C1=COC(=O)[N-]1	REAL300025111643	1	42	-2.0	-101.72	364.41	-2.49	-104.21
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@@H]1CNC(=O)C1=C[N-]N=CC1=O	REAL300025111710	0	44	-2.0	-86.37	375.15	-0.27	-86.64
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@@H]1CNC(=O)C1=CC(=O)N[N-]1	REAL300025111767	0	43	-2.0	-93.26	370.89	-2.44	-95.70
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@@H]1CNC(=O)C1=NC(=O)N[N-]1	REAL300025111799	0	42	-2.0	-91.23	365.83	-3.76	-94.99
CN1N=C(C(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025112002	0	45	-2.0	-100.25	388.48	-2.24	-102.49
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@@H]1CNC(=O)C1=CC=NC=C1[O-]	REAL300025112120	1	45	-2.0	-111.92	381.01	0.91	-111.01
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300025112122	0	42	-2.0	-95.11	365.65	-1.95	-97.06
CN1[N-]C(C(=O)NC[C@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025112202	0	46	-2.0	-96.39	393.63	-0.73	-97.12
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@@H]1CNC(=O)C1=CC([O-])=CS1	REAL300025112286	0	43	-2.0	-103.26	380.13	0.02	-103.24
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300025112391	0	42	-2.0	-98.96	361.48	-1.38	-100.34
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=NNC(=O)[N-]C2=O)CCC1	REAL300025113116	0	41	-2.0	-98.04	376.27	-6.44	-104.48
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)CN2C(=O)[N-]NC2=O)CCC1	REAL300025113164	0	43	-2.0	-103.95	389.48	-4.49	-108.44
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=CN([O-])C(=O)C=C2)CCC1	REAL300025113504	0	43	-2.0	-108.79	387.27	-0.32	-109.11
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=CC(=O)NC([O-])=C2)CCC1	REAL300025113579	0	43	-2.0	-90.81	387.74	-5.21	-96.02
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=COC(=O)[N-]2)CCC1	REAL300025113590	1	39	-2.0	-91.99	359.89	-5.38	-97.37
CCN1[N-]C(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)=CC1=O	REAL300025113695	0	46	-2.0	-95.54	408.70	-1.76	-97.30
CN1N=C(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)[N-]C1=O	REAL300025113721	0	42	-2.0	-101.04	380.98	-3.81	-104.85
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=C[N-]N=CC2=O)CCC1	REAL300025113773	0	41	-2.0	-85.50	368.87	-2.24	-87.74
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=CC(=O)N[N-]2)CCC1	REAL300025113831	0	40	-2.0	-91.77	364.15	-4.41	-96.18
C[PH](C)([O-])C(=O)C(=O)NCC1(NC(=O)CSC2=NC(=O)NN2)CCC1	REAL300025113836	0	45	-2.0	-100.06	396.72	-3.25	-103.31
C[PH](C)([O-])C(=O)C(=O)NCC1(NC(=O)CSC2=NC(=O)[N-]N2)CCC1	REAL300025113836	1	45	-2.0	-100.06	396.72	-3.25	-103.31
O=C(CCC1=NNC(=O)[N-]1)NCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCC1	REAL300025113854	0	45	-2.0	-96.19	399.74	-3.89	-100.08
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=CC=CN([O-])C2=O)CCC1	REAL300025113856	0	43	-2.0	-100.30	384.15	-0.15	-100.45
CC1SC(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)=NC1=O	REAL300025113875	0	42	-2.0	-97.68	390.81	-4.25	-101.93
CC1=C([O-])N=C(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)S1	REAL300025113875	1	42	-2.0	-97.68	390.81	-4.25	-101.93
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=CC(=O)N([O-])C=C2)CCC1	REAL300025113889	0	43	-2.0	-109.11	387.09	-0.32	-109.43
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=CC=CC(=O)N2[O-])CCC1	REAL300025113910	0	43	-2.0	-100.81	383.38	-0.27	-101.08
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)CC2=NC([O-])=CS2)CCC1	REAL300025114011	0	42	-2.0	-110.18	390.32	-4.17	-114.35
CC1=CC(=O)C(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)=N[N-]1	REAL300025114149	0	44	-2.0	-98.08	393.43	-0.58	-98.66
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=NC(=O)N[N-]2)CCC1	REAL300025114159	0	39	-2.0	-94.13	358.40	-5.38	-99.51
CN1[N-]C(C(=O)NCC2(NC(=O)CSC3=NNC(=O)[N-]3)CCC2)=CC1=O	REAL300025114325	0	43	-2.0	-96.97	386.62	-2.38	-99.35
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=NC=CC=C2[O-])CCC1	REAL300025114575	1	42	-2.0	-105.65	375.86	-0.73	-106.38
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=NNC(=O)[N-]C2=O)CCC1	REAL300025114660	0	41	-2.0	-97.19	375.28	-6.22	-103.41
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)CN2C(=O)[N-]NC2=O)CCC1	REAL300025114737	0	43	-2.0	-100.91	389.48	-4.49	-105.40
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=COC(=O)[N-]2)CCC1	REAL300025115380	1	39	-2.0	-90.69	359.02	-5.09	-95.78
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC=C([O-])C=C2F)CCC1	REAL300025115439	1	43	-2.0	-98.68	385.32	-0.48	-99.16
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC([O-])=CC(=O)O2)CCC1	REAL300025115442	0	42	-2.0	-93.56	384.13	-1.34	-94.90
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=C[N-]N=CC2=O)CCC1	REAL300025115492	0	41	-2.0	-82.86	368.07	-1.93	-84.79
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC=CC(F)=C2[O-])CCC1	REAL300025115497	0	43	-2.0	-113.00	384.86	1.03	-111.97
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC=CC([O-])=C2F)CCC1	REAL300025115543	1	43	-2.0	-111.11	385.18	-0.49	-111.60
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC(=O)N[N-]2)CCC1	REAL300025115597	0	40	-2.0	-93.14	363.81	-4.10	-97.24
C[PH](C)([O-])C(=O)C(=O)NC1(CNC(=O)CSC2=NC(=O)NN2)CCC1	REAL300025115601	0	45	-2.0	-96.44	402.22	-3.24	-99.68
C[PH](C)([O-])C(=O)C(=O)NC1(CNC(=O)CSC2=NC(=O)[N-]N2)CCC1	REAL300025115601	1	45	-2.0	-96.44	402.22	-3.24	-99.68
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC(=O)N([O-])C=C2)CCC1	REAL300025115639	0	43	-2.0	-112.53	386.83	-0.03	-112.56
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=NC(=O)N[N-]2)CCC1	REAL300025115653	0	39	-2.0	-90.17	358.32	-5.38	-95.55
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC=CN([O-])C2=O)CCC1	REAL300025115656	0	43	-2.0	-98.33	383.97	0.14	-98.19
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC(F)=CC=C2O)CCC1	REAL300025115739	0	43	-2.0	-103.16	385.05	1.03	-102.13
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC(F)=CC=C2[O-])CCC1	REAL300025115739	1	43	-2.0	-103.16	385.05	1.03	-102.13
CC1=CC=NC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)=C1O	REAL300025115777	0	45	-2.0	-104.68	396.24	-0.06	-104.74
CC1=CC=NC(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)=C1[O-]	REAL300025115777	1	45	-2.0	-104.68	396.24	-0.06	-104.74
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)CC2=NC([O-])=CS2)CCC1	REAL300025115897	0	42	-2.0	-116.23	390.67	-4.49	-120.72
CC1=CC(=O)C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)=N[N-]1	REAL300025115975	0	44	-2.0	-94.96	392.48	-0.36	-95.32
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC=CC(=O)N2[O-])CCC1	REAL300025115985	0	43	-2.0	-95.23	382.79	0.01	-95.22
CN1N=C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)[N-]C1=O	REAL300025116018	0	42	-2.0	-98.06	380.97	-3.88	-101.94
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC=C(F)C(O)=C2)CCC1	REAL300025116115	0	43	-2.0	-108.04	387.02	-0.51	-108.55
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC=C(F)C([O-])=C2)CCC1	REAL300025116115	1	43	-2.0	-108.04	387.02	-0.51	-108.55
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=NC(=O)[N-]C(=O)N2)CCC1	REAL300025116151	0	41	-2.0	-94.60	376.93	-7.14	-101.74
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=NC(=O)NC(=O)[N-]2)CCC1	REAL300025116151	1	41	-2.0	-89.47	377.58	-6.39	-95.86
NC1=NC=C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C(=O)[N-]1	REAL300025116178	1	43	-2.0	-87.65	382.14	-3.22	-90.87
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC=NC=C2[O-])CCC1	REAL300025116242	1	42	-2.0	-105.92	374.39	-1.11	-107.03
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300025116247	0	39	-2.0	-97.50	358.55	-3.62	-101.12
CC1=C([O-])N=C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)S1	REAL300025116259	1	42	-2.0	-97.25	390.58	-3.97	-101.22
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC(=O)NC([O-])=C2)CCC1	REAL300025116339	0	43	-2.0	-91.34	386.97	-4.93	-96.27
CCN1[N-]C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)=CC1=O	REAL300025116375	0	46	-2.0	-94.88	408.27	-1.44	-96.32
CN1[N-]C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)=CC1=O	REAL300025116387	0	43	-2.0	-95.80	386.55	-2.39	-98.19
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC=C([O-])C(F)=C2)CCC1	REAL300025116451	1	43	-2.0	-100.38	386.98	-0.48	-100.86
CC1=CN=C(C(=O)NC2(CNC(=O)CSC3=NNC(=O)[N-]3)CCC2)C([O-])=C1	REAL300025116496	1	45	-2.0	-107.23	397.31	-0.09	-107.32
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC([O-])=CS2)CCC1	REAL300025116507	0	40	-2.0	-101.70	372.95	-1.63	-103.33
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CN([O-])C(=O)C=C2)CCC1	REAL300025116516	0	43	-2.0	-110.45	386.89	-0.29	-110.74
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=NC(=O)[N-]C(=O)N2)CCC1	REAL300025116607	0	41	-2.0	-90.47	377.57	-6.40	-96.87
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=NC(=O)NC(=O)[N-]2)CCC1	REAL300025116607	1	41	-2.0	-90.47	377.57	-6.40	-96.87
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300025116706	0	39	-2.0	-96.11	359.46	-3.89	-100.00
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=COC(=O)[N-]2)CCO1	REAL300025117378	1	40	-2.0	-83.09	362.66	-4.48	-87.57
CN1N=C(C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025117458	0	43	-2.0	-91.40	384.68	-4.32	-95.72
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=C[N-]N=CC2=O)CCO1	REAL300025117483	0	42	-2.0	-79.93	374.09	-3.04	-82.97
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC(=O)N[N-]2)CCO1	REAL300025117515	0	41	-2.0	-84.58	367.26	-4.51	-89.09
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=NC(=O)N[N-]2)CCO1	REAL300025117661	0	40	-2.0	-83.64	362.33	-5.11	-88.75
CN1[N-]C(C(=O)N2CCOC(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025117736	0	44	-2.0	-87.39	390.33	-2.78	-90.17
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(CNC(=O)C2=NC=CC=C2[O-])C1	REAL300025117973	1	43	-2.0	-98.97	382.71	-1.25	-100.22
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(CNC(=O)C2=COC(=O)[N-]2)C1	REAL300025118400	1	40	-2.0	-86.84	365.86	-5.70	-92.54
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(CNC(=O)C2=C[N-]N=CC2=O)C1	REAL300025118461	0	42	-2.0	-80.25	375.17	-2.61	-82.86
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300025118514	0	41	-2.0	-86.26	370.95	-4.77	-91.03
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300025118542	0	40	-2.0	-86.37	365.25	-6.00	-92.37
CN1N=C(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)[N-]C1=O	REAL300025118725	0	43	-2.0	-92.33	387.98	-4.50	-96.83
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(CNC(=O)C2=CC=NC=C2[O-])C1	REAL300025118829	1	43	-2.0	-97.68	381.06	-1.42	-99.10
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300025118831	0	40	-2.0	-90.04	365.70	-4.28	-94.32
CN1[N-]C(C(=O)NCC2CN(C(=O)CSC3=NNC(=O)[N-]3)CCO2)=CC1=O	REAL300025118905	0	44	-2.0	-88.79	393.46	-3.01	-91.80
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(CNC(=O)C2=CC([O-])=CS2)C1	REAL300025118980	0	41	-2.0	-95.04	379.87	-2.25	-97.29
O=C(CSC1=NNC(=O)[N-]1)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300025119085	0	40	-2.0	-89.03	362.78	-4.47	-93.50
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=COC(=O)[N-]2)CC1	REAL300025119895	1	42	-2.0	-91.93	366.21	-3.13	-95.06
CN1N=C(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)[N-]C1=O	REAL300025119979	0	45	-2.0	-102.41	388.34	-1.95	-104.36
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=C[N-]N=CC2=O)CC1	REAL300025120007	0	44	-2.0	-86.38	375.25	0.02	-86.36
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC(=O)N[N-]2)CC1	REAL300025120041	0	43	-2.0	-94.96	371.02	-2.13	-97.09
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=NC(=O)N[N-]2)CC1	REAL300025120202	0	42	-2.0	-89.16	367.42	-3.38	-92.54
CN1[N-]C(C(=O)NC2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300025120285	0	46	-2.0	-90.85	395.49	-0.39	-91.24
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300025120533	1	45	-2.0	-114.14	380.17	2.03	-112.11
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300025120996	1	42	-2.0	-91.98	362.68	-1.22	-93.20
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300025121063	0	44	-2.0	-101.67	380.02	-0.51	-102.18
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300025121120	0	43	-2.0	-96.31	368.90	-1.81	-98.12
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300025121152	0	42	-2.0	-93.02	363.71	-2.28	-95.30
CN1N=C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)[N-]C1=O	REAL300025121355	0	45	-2.0	-104.41	386.42	-1.64	-106.05
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC=NC=C2[O-])CC1	REAL300025121473	0	45	-2.0	-115.97	384.97	-0.58	-116.55
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300025121475	0	42	-2.0	-99.63	362.76	-1.88	-101.51
CN1[N-]C(C(=O)N2CCCC(NC(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300025121555	0	46	-2.0	-99.58	390.30	-0.08	-99.66
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC([O-])=CS2)CC1	REAL300025121639	0	43	-2.0	-100.19	373.86	-0.27	-100.46
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300025121758	0	42	-2.0	-97.66	365.77	-1.64	-99.30
CN(CCCN(C)C(=O)C1=NNC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122456	0	43	-2.0	-92.99	387.52	-3.11	-96.10
CN(CCCN(C)C(=O)C1=CN([O-])C(=O)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122831	0	45	-2.0	-99.52	405.62	2.61	-96.91
CN(CCCN(C)C(=O)C1=CC(=O)NC([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122900	0	45	-2.0	-87.47	406.04	-2.29	-89.76
CN(CCCN(C)C(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025122910	1	41	-2.0	-88.53	370.56	-0.92	-89.45
CCN1[N-]C(C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025123013	0	48	-2.0	-91.66	419.97	1.65	-90.01
CN(CCCN(C)C(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123037	0	44	-2.0	-106.83	393.72	-0.85	-107.68
CN(CCCN(C)C(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123084	0	43	-2.0	-86.14	389.37	0.50	-85.64
CN(CCCN(C)C(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123138	0	42	-2.0	-98.77	376.25	-1.00	-99.77
CN(CCCN(C)C(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)NN1	REAL300025123143	0	47	-2.0	-92.96	410.77	-0.33	-93.29
CN(CCCN(C)C(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)[N-]N1	REAL300025123143	1	47	-2.0	-92.96	410.77	-0.33	-93.29
CN(CCCN(C)C(=O)C1=CC=CN([O-])C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123163	0	45	-2.0	-115.59	405.26	2.59	-113.00
CN(CCCN(C)C(=O)C1=CC(=O)N([O-])C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123191	0	45	-2.0	-117.16	398.17	2.40	-114.76
CN(CCCN(C)C(=O)C1=CC=CC(=O)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025123211	0	45	-2.0	-116.55	405.36	2.38	-114.17
CC1=CC(=O)C(C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025123438	0	46	-2.0	-91.93	404.26	2.78	-89.15
CN(CCCN(C)C(=O)C1=NNC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123447	0	41	-2.0	-103.59	370.69	-2.53	-106.12
CN(CCCN(C)C(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123604	0	45	-2.0	-90.93	398.21	0.71	-90.22
CN(CCCN(C)C(=O)C1=NC=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025123854	1	44	-2.0	-100.31	387.47	2.76	-97.55
CN(CCCN(C)C(=O)C1=NNC(=O)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025123943	0	43	-2.0	-92.99	387.52	-3.11	-96.10
CN(CCCN(C)C(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124764	1	41	-2.0	-88.53	370.56	-0.92	-89.45
CN(CCCN(C)C(=O)C1=CC=C([O-])C=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124823	1	45	-2.0	-104.27	396.51	1.95	-102.32
CN(CCCN(C)C(=O)C1=CC([O-])=CC(=O)O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124826	0	44	-2.0	-97.45	396.54	1.38	-96.07
CN(CCCN(C)C(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124879	0	43	-2.0	-86.14	389.37	0.50	-85.64
CN(CCCN(C)C(=O)C1=CC=CC(F)=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025124886	0	45	-2.0	-101.87	399.88	2.75	-99.12
CN(CCCN(C)C(=O)C1=CC=CC([O-])=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124936	1	45	-2.0	-99.25	400.12	1.96	-97.29
CN(CCCN(C)C(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025124996	0	42	-2.0	-98.77	376.25	-1.00	-99.77
CN(CCCN(C)C(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)NN1	REAL300025125001	0	47	-2.0	-92.96	410.77	-0.33	-93.29
CN(CCCN(C)C(=O)C(=O)[PH](C)(C)[O-])C(=O)CSC1=NC(=O)[N-]N1	REAL300025125001	1	47	-2.0	-92.96	410.77	-0.33	-93.29
CN(CCCN(C)C(=O)C1=CC(=O)N([O-])C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125046	0	45	-2.0	-117.16	398.17	2.40	-114.76
CN(CCCN(C)C(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125060	0	41	-2.0	-96.24	370.77	-1.72	-97.96
CN(CCCN(C)C(=O)C1=CC=CN([O-])C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125063	0	45	-2.0	-115.59	405.26	2.59	-113.00
CN(CCCN(C)C(=O)C1=CC(F)=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025125156	1	45	-2.0	-94.48	400.08	2.74	-91.74
CC1=CC=NC(C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300025125196	1	47	-2.0	-100.05	407.82	3.45	-96.60
CN(CCCN(C)C(=O)C1=C([O-])C=CC=C1F)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125328	1	45	-2.0	-99.49	405.35	2.18	-97.31
CN(CCCN(C)C(=O)C1=CC=C(F)C=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025125329	0	45	-2.0	-119.08	396.23	3.46	-115.62
CC1=CC(=O)C(C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025125410	0	46	-2.0	-91.93	404.26	2.78	-89.15
CN(CCCN(C)C(=O)C1=CC=CC(=O)N1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025125424	0	45	-2.0	-116.55	405.36	2.38	-114.17
CN(CCCN(C)C(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125465	0	44	-2.0	-106.83	393.72	-0.85	-107.68
CN(CCCN(C)C(=O)C1=CC=C(F)C([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125572	1	45	-2.0	-97.85	397.98	1.90	-95.95
CN(CCCN(C)C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125614	0	43	-2.0	-82.06	386.22	-2.11	-84.17
CN(CCCN(C)C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125614	1	43	-2.0	-82.06	386.22	-2.11	-84.17
CN(CCCN(C)C(=O)C1=CN=C(N)NC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125646	0	45	-2.0	-98.62	403.41	-0.86	-99.48
CN(CCCN(C)C(=O)C1=CN=C(N)[N-]C1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125646	1	45	-2.0	-98.62	403.41	-0.86	-99.48
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125719	0	41	-2.0	-92.53	370.40	-0.90	-93.43
CN(CCCN(C)C(=O)C1=CC(=O)NC([O-])=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125817	0	45	-2.0	-87.47	406.04	-2.29	-89.76
CCN1[N-]C(C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025125853	0	48	-2.0	-91.66	419.97	1.65	-90.01
CN(CCCN(C)C(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125868	0	45	-2.0	-90.93	398.21	0.71	-90.22
CN(CCCN(C)C(=O)C1=CC=C(O)C(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125946	0	45	-2.0	-100.96	397.95	1.94	-99.02
CN(CCCN(C)C(=O)C1=CC=C([O-])C(F)=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025125946	1	45	-2.0	-100.96	397.95	1.94	-99.02
CC1=CN=C(C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C(O)=C1	REAL300025125997	0	47	-2.0	-101.75	408.91	3.39	-98.36
CC1=CN=C(C(=O)N(C)CCCN(C)C(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300025125997	1	47	-2.0	-101.75	408.91	3.39	-98.36
CN(CCCN(C)C(=O)C1=CC([O-])=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025126008	0	42	-2.0	-113.02	383.15	0.71	-112.31
CN(CCCN(C)C(=O)C1=CN([O-])C(=O)C=C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025126019	0	45	-2.0	-99.52	405.62	2.61	-96.91
CN(CCCN(C)C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025126110	0	43	-2.0	-90.68	388.66	-3.31	-93.99
CN(CCCN(C)C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025126110	1	43	-2.0	-82.06	386.22	-2.11	-84.17
CN(CCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025126198	0	41	-2.0	-92.53	370.40	-0.90	-93.43
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=COC(=O)[N-]1)CCO2	REAL300025126610	1	41	-2.0	-99.92	369.08	-3.03	-102.95
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)N[N-]1)CCO2	REAL300025126688	0	42	-2.0	-86.80	372.71	-3.25	-90.05
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=NC(=O)N[N-]1)CCO2	REAL300025126756	0	41	-2.0	-85.50	367.51	-3.86	-89.36
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2(CN(C(=O)C3=COC(=O)[N-]3)C2)C1	REAL300025127112	1	41	-2.0	-88.73	369.03	-3.98	-92.71
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2(CN(C(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300025127164	0	42	-2.0	-91.99	373.88	-3.42	-95.41
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2(CN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300025127174	0	41	-2.0	-92.13	370.12	-4.33	-96.46
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300025127319	0	41	-2.0	-92.70	368.89	-3.10	-95.80
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300025127458	0	41	-2.0	-107.26	368.83	-3.12	-110.38
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CC(NC(=O)C1=COC(=O)[N-]1)CO2	REAL300025128182	1	41	-2.0	-95.85	380.22	-5.61	-101.46
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CC(NC(=O)C1=CC(=O)N[N-]1)CO2	REAL300025128260	0	42	-2.0	-85.70	384.45	-4.54	-90.24
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CC(NC(=O)C1=NC(=O)N[N-]1)CO2	REAL300025128328	0	41	-2.0	-95.53	379.64	-5.92	-101.45
O=C(CSC1=NNC(=O)[N-]1)NC1COC2(CN(C(=O)C3=COC(=O)[N-]3)C2)C1	REAL300025128684	1	41	-2.0	-85.99	377.35	-5.09	-91.08
O=C(CSC1=NNC(=O)[N-]1)NC1COC2(CN(C(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300025128736	0	42	-2.0	-86.45	382.18	-4.51	-90.96
O=C(CSC1=NNC(=O)[N-]1)NC1COC2(CN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300025128746	0	41	-2.0	-85.94	376.92	-5.53	-91.47
O=C(CSC1=NNC(=O)[N-]1)NC1COC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300025128891	0	41	-2.0	-90.13	377.21	-4.19	-94.32
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CC(NC(=O)C1=CC(=O)[N-]O1)CO2	REAL300025129030	0	41	-2.0	-99.47	379.79	-4.13	-103.60
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300025129349	1	45	-2.0	-90.65	375.17	-1.10	-91.75
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300025129427	0	46	-2.0	-85.47	380.17	-1.16	-86.63
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300025129495	0	45	-2.0	-83.15	374.93	-1.78	-84.93
CCC1(NC(=O)C2=COC(=O)[N-]2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129815	1	45	-2.0	-86.93	378.70	-2.29	-89.22
CCC1(NC(=O)C2=CC(=O)N[N-]2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129865	0	46	-2.0	-86.80	383.53	-1.33	-88.13
CCC1(NC(=O)C2=NNC(=O)[N-]2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129873	0	45	-2.0	-90.48	378.02	-2.78	-93.26
CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025129990	0	45	-2.0	-91.30	378.27	-0.83	-92.13
CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300025130113	0	45	-2.0	-89.21	375.11	-1.18	-90.39
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025130890	1	43	-2.0	-87.92	371.74	-5.20	-93.12
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025130956	0	44	-2.0	-90.05	377.21	-5.26	-95.31
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025131013	0	43	-2.0	-88.03	371.83	-5.84	-93.87
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CO)(NC(=O)C2=COC(=O)[N-]2)C1	REAL300025131292	1	43	-2.0	-101.45	375.49	-6.44	-107.89
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CO)(NC(=O)C2=CC(=O)N[N-]2)C1	REAL300025131336	0	44	-2.0	-95.80	380.32	-5.45	-101.25
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CO)(NC(=O)C2=NC(=O)N[N-]2)C1	REAL300025131343	0	43	-2.0	-100.08	374.91	-6.73	-106.81
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300025131440	0	43	-2.0	-100.38	375.06	-4.95	-105.33
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025131541	0	43	-2.0	-95.35	371.62	-5.32	-100.67
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=COC(=O)[N-]2)CCOCC1	REAL300025131794	1	43	-2.0	-88.77	376.83	-5.82	-94.59
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC(=O)N[N-]2)CCOCC1	REAL300025131851	0	44	-2.0	-90.17	381.67	-4.83	-95.00
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=NC(=O)N[N-]2)CCOCC1	REAL300025131897	0	43	-2.0	-89.34	376.26	-6.14	-95.48
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=COC(=O)[N-]2)CCOCC1	REAL300025132202	1	43	-2.0	-91.41	376.65	-5.85	-97.26
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=CC(=O)N[N-]2)CCOCC1	REAL300025132248	0	44	-2.0	-92.06	381.47	-4.86	-96.92
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=NC(=O)N[N-]2)CCOCC1	REAL300025132257	0	43	-2.0	-90.61	376.26	-6.13	-96.74
O=C(CSC1=NNC(=O)[N-]1)NC1(CNC(=O)C2=CC(=O)[N-]O2)CCOCC1	REAL300025132376	0	43	-2.0	-95.64	376.22	-4.38	-100.02
O=C(CSC1=NNC(=O)[N-]1)NCC1(NC(=O)C2=CC(=O)[N-]O2)CCOCC1	REAL300025132484	0	43	-2.0	-94.58	376.41	-4.34	-98.92
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300025133378	0	41	-2.0	-102.38	366.47	-5.12	-107.50
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300025133426	0	43	-2.0	-105.09	383.47	-3.60	-108.69
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300025133766	0	43	-2.0	-112.33	379.33	0.53	-111.80
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300025133841	0	43	-2.0	-101.12	385.10	-4.18	-105.30
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025133852	1	39	-2.0	-90.23	349.88	-2.84	-93.07
CCN1[N-]C(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025133957	0	46	-2.0	-98.69	399.27	-0.26	-98.95
CN1N=C(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025133983	0	42	-2.0	-102.55	372.26	-2.75	-105.30
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025134035	0	41	-2.0	-93.31	368.69	-1.37	-94.68
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025134093	0	40	-2.0	-94.59	354.74	-2.90	-97.49
C[PH](C)([O-])C(=O)C(=O)N1CCC[C@@H](NC(=O)CSC2=NC(=O)NN2)C1	REAL300025134098	0	45	-2.0	-96.95	387.94	-2.54	-99.49
C[PH](C)([O-])C(=O)C(=O)N1CCC[C@@H](NC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300025134098	1	45	-2.0	-96.95	387.94	-2.54	-99.49
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)CCC2=NNC(=O)[N-]2)C1	REAL300025134116	0	45	-2.0	-98.15	393.78	-2.97	-101.12
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300025134118	0	43	-2.0	-129.74	384.60	0.72	-129.02
CC1SC(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300025134137	0	42	-2.0	-95.13	381.51	-2.13	-97.26
CC1=C([O-])N=C(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025134137	1	42	-2.0	-95.13	381.51	-2.13	-97.26
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300025134151	0	43	-2.0	-106.98	385.66	0.78	-106.20
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300025134172	0	43	-2.0	-111.74	377.19	0.81	-110.93
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300025134273	0	42	-2.0	-116.61	384.31	-3.24	-119.85
CC1=CC(=O)C(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025134411	0	44	-2.0	-101.49	383.62	0.77	-100.72
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025134421	0	39	-2.0	-91.56	349.48	-3.57	-95.13
CN1[N-]C(C(=O)N2CCC[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025134587	0	43	-2.0	-97.39	377.09	-1.24	-98.63
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=NC=CC=C2[O-])C1	REAL300025134837	1	42	-2.0	-110.91	369.84	0.32	-110.59
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300025134926	0	41	-2.0	-100.43	369.36	-5.18	-105.61
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025135012	0	43	-2.0	-104.87	383.48	-3.50	-108.37
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=COC(=O)[N-]2)C1	REAL300025135796	1	39	-2.0	-90.50	352.97	-4.08	-94.58
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC=C([O-])C=C2F)C1	REAL300025135858	1	43	-2.0	-98.95	379.30	0.53	-98.42
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300025135861	0	42	-2.0	-92.18	378.11	-0.34	-92.52
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=C[N-]N=CC2=O)C1	REAL300025135918	0	41	-2.0	-84.80	362.02	-0.94	-85.74
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC=CC(F)=C2[O-])C1	REAL300025135925	0	43	-2.0	-118.49	378.85	2.11	-116.38
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC=CC([O-])=C2F)C1	REAL300025135980	1	43	-2.0	-113.63	379.17	0.50	-113.13
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC(=O)N[N-]2)C1	REAL300025136044	0	40	-2.0	-93.53	357.80	-3.10	-96.63
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CCCN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025136049	0	45	-2.0	-96.92	396.35	-2.26	-99.18
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CCCN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300025136049	1	45	-2.0	-96.92	396.35	-2.26	-99.18
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300025136094	0	43	-2.0	-111.95	380.81	0.97	-110.98
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=NC(=O)N[N-]2)C1	REAL300025136108	0	39	-2.0	-91.53	352.39	-4.39	-95.92
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC=CN([O-])C2=O)C1	REAL300025136112	0	43	-2.0	-99.23	377.96	1.15	-98.08
NC1=CC(=O)[N-]C(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N1	REAL300025136184	0	43	-2.0	-104.27	381.96	-3.65	-107.92
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC(F)=CC=C2[O-])C1	REAL300025136208	1	43	-2.0	-107.75	379.04	2.10	-105.65
CC1=CC=NC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300025136249	1	45	-2.0	-110.87	390.18	1.02	-109.85
O=C(CC1=NC([O-])=CS1)N[C@@H]1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025136382	0	42	-2.0	-116.64	384.35	-3.19	-119.83
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=C([O-])C=CC=C2F)C1	REAL300025136392	1	43	-2.0	-105.43	384.52	0.38	-105.05
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC=C(F)C=C2[O-])C1	REAL300025136393	0	43	-2.0	-112.11	379.02	2.12	-109.99
CC1=CC(=O)C(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025136477	0	44	-2.0	-99.71	386.51	0.68	-99.03
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300025136492	0	43	-2.0	-133.09	377.88	1.97	-131.12
CN1N=C(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025136534	0	42	-2.0	-100.84	375.12	-2.89	-103.73
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300025136647	1	43	-2.0	-93.98	381.01	0.49	-93.49
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300025136692	0	41	-2.0	-89.23	371.57	-5.40	-94.63
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300025136692	1	41	-2.0	-89.23	371.57	-5.40	-94.63
NC1=NC=C(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N1	REAL300025136726	0	43	-2.0	-90.54	376.18	-2.22	-92.76
NC1=NC=C(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300025136726	1	43	-2.0	-90.54	376.18	-2.22	-92.76
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC=NC=C2O)C1	REAL300025136801	0	42	-2.0	-111.36	367.90	0.24	-111.12
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC=NC=C2[O-])C1	REAL300025136801	1	42	-2.0	-111.36	367.90	0.24	-111.12
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300025136806	0	39	-2.0	-96.37	352.53	-2.61	-98.98
CC1SC(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300025136821	0	42	-2.0	-95.71	384.57	-2.99	-98.70
CC1=C([O-])N=C(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025136821	1	42	-2.0	-95.71	384.57	-2.99	-98.70
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300025136912	0	43	-2.0	-92.12	380.90	-3.93	-96.05
CCN1[N-]C(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025136950	0	46	-2.0	-97.43	402.34	-0.45	-97.88
CN1[N-]C(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025136966	0	43	-2.0	-96.53	380.61	-1.38	-97.91
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC=C(O)C(F)=C2)C1	REAL300025137046	0	43	-2.0	-96.32	380.97	0.52	-95.80
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300025137046	1	43	-2.0	-96.32	380.97	0.52	-95.80
CC1=CN=C(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(O)=C1	REAL300025137101	0	45	-2.0	-112.57	391.29	0.97	-111.60
CC1=CN=C(C(=O)N[C@@H]2CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300025137101	1	45	-2.0	-112.57	391.29	0.97	-111.60
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CC([O-])=CS2)C1	REAL300025137113	0	40	-2.0	-104.19	367.02	-0.65	-104.84
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H](NC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300025137124	0	43	-2.0	-112.40	380.43	0.99	-111.41
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300025137218	0	41	-2.0	-89.44	368.87	-4.65	-94.09
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300025137218	1	41	-2.0	-89.44	368.87	-4.65	-94.09
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025137317	0	39	-2.0	-97.46	349.68	-2.84	-100.30
CC1CN(C(=O)C2=NNC(=O)[N-]C2=O)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138063	0	41	-2.0	-95.28	372.44	-5.22	-100.50
CC1CN(C(=O)CN2C(=O)[N-]NC2=O)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138111	0	43	-2.0	-95.90	386.27	-3.46	-99.36
CC1CN(C(=O)C2=CN([O-])C(=O)C=C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138451	0	43	-2.0	-106.92	391.57	0.58	-106.34
CC1CN(C(=O)C2=CC(=O)NC([O-])=C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138526	0	43	-2.0	-89.12	382.07	-4.65	-93.77
CC1CN(C(=O)C2=COC(=O)[N-]2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138537	1	39	-2.0	-97.24	355.99	-3.26	-100.50
CCN1[N-]C(C(=O)N2CC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025138642	0	46	-2.0	-96.78	401.87	-0.18	-96.96
CC1CN(C(=O)C2=NN(C)C(=O)[N-]2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138668	0	42	-2.0	-98.57	378.48	-2.97	-101.54
CC1CN(C(=O)C2=C[N-]N=CC2=O)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138720	0	41	-2.0	-92.44	371.72	-1.18	-93.62
CC1CN(C(=O)C2=CC(=O)N[N-]2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138778	0	40	-2.0	-93.18	360.98	-3.16	-96.34
CC1CN(C(=O)C(=O)[PH](C)(C)[O-])CC1NC(=O)CSC1=NC(=O)NN1	REAL300025138783	0	45	-2.0	-99.71	391.91	-2.05	-101.76
CC1CN(C(=O)C(=O)[PH](C)(C)[O-])CC1NC(=O)CSC1=NC(=O)[N-]N1	REAL300025138783	1	45	-2.0	-99.71	391.91	-2.05	-101.76
CC1CN(C(=O)CCC2=NNC(=O)[N-]2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138801	0	45	-2.0	-92.56	400.96	-3.08	-95.64
CC1CN(C(=O)C2=CC=CN([O-])C2=O)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138803	0	43	-2.0	-103.37	383.20	0.27	-103.10
CC1CN(C(=O)C2=NC(=O)C(C)S2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138822	0	42	-2.0	-105.24	387.79	-2.47	-107.71
CC1=C([O-])N=C(C(=O)N2CC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025138822	1	42	-2.0	-105.24	387.79	-2.47	-107.71
CC1CN(C(=O)C2=CC(=O)N([O-])C=C2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138836	0	43	-2.0	-107.85	391.79	0.59	-107.26
CC1CN(C(=O)C2=CC=CC(=O)N2[O-])CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138857	0	43	-2.0	-121.12	390.75	0.37	-120.75
CC1CN(C(=O)CC2=NC([O-])=CS2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025138958	0	42	-2.0	-110.01	387.11	-3.11	-113.12
CC1=CC(=O)C(C(=O)N2CC(C)C(NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025139096	0	44	-2.0	-96.51	389.52	0.66	-95.85
CC1CN(C(=O)C2=NC(=O)N[N-]2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025139106	0	39	-2.0	-96.26	355.62	-3.88	-100.14
CC1CN(C(=O)C2=CC(=O)N(C)[N-]2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025139272	0	43	-2.0	-96.22	380.06	-1.12	-97.34
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=NC=CC=C1[O-]	REAL300025139522	1	42	-2.0	-102.15	376.08	0.11	-102.04
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300025139611	0	41	-2.0	-92.44	376.48	-5.33	-97.77
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CN1C(=O)[N-]NC1=O	REAL300025139697	0	43	-2.0	-98.03	389.75	-3.70	-101.73
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=COC(=O)[N-]1	REAL300025140481	1	39	-2.0	-86.18	359.20	-4.32	-90.50
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC=C([O-])C=C1F	REAL300025140543	1	43	-2.0	-91.96	382.83	0.74	-91.22
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC([O-])=CC(=O)O1	REAL300025140546	0	42	-2.0	-89.09	381.64	-0.11	-89.20
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=C[N-]N=CC1=O	REAL300025140603	0	41	-2.0	-79.44	369.16	-1.10	-80.54
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC=CC(F)=C1[O-]	REAL300025140610	0	43	-2.0	-106.87	381.68	2.23	-104.64
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC=CC([O-])=C1F	REAL300025140665	1	43	-2.0	-105.20	382.00	0.63	-104.57
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC(=O)N[N-]1	REAL300025140729	0	40	-2.0	-87.11	364.92	-3.26	-90.37
CC1CN(C(=O)CSC2=NC(=O)NN2)CC1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300025140734	0	45	-2.0	-97.48	394.74	-2.00	-99.48
CC1CN(C(=O)CSC2=NC(=O)[N-]N2)CC1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300025140734	1	45	-2.0	-97.48	394.74	-2.00	-99.48
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300025140779	0	43	-2.0	-105.68	384.48	1.14	-104.54
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=NC(=O)N[N-]1	REAL300025140793	0	39	-2.0	-86.73	358.62	-4.61	-91.34
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC=CN([O-])C1=O	REAL300025140797	0	43	-2.0	-99.18	381.64	1.36	-97.82
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC(F)=CC=C1O	REAL300025140893	0	43	-2.0	-96.63	382.71	2.26	-94.37
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC(F)=CC=C1[O-]	REAL300025140893	1	43	-2.0	-96.63	382.71	2.26	-94.37
CC1=CC=NC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)=C1O	REAL300025140934	0	45	-2.0	-101.85	396.39	0.80	-101.05
CC1=CC=NC(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)=C1[O-]	REAL300025140934	1	45	-2.0	-101.85	396.39	0.80	-101.05
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)CC1=NC([O-])=CS1	REAL300025141067	0	42	-2.0	-113.37	387.15	-3.04	-116.41
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=C(O)C=CC=C1F	REAL300025141077	0	43	-2.0	-92.40	388.05	0.62	-91.78
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=C([O-])C=CC=C1F	REAL300025141077	1	43	-2.0	-92.40	388.05	0.62	-91.78
CC1=CC(=O)C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)=N[N-]1	REAL300025141162	0	44	-2.0	-92.13	392.78	0.47	-91.66
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300025141177	0	43	-2.0	-119.23	381.70	2.13	-117.10
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300025141219	0	42	-2.0	-97.89	377.88	-2.75	-100.64
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC=C(F)C([O-])=C1	REAL300025141332	1	43	-2.0	-92.08	384.68	0.64	-91.44
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025141377	0	41	-2.0	-84.40	377.79	-5.61	-90.01
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025141377	1	41	-2.0	-84.40	377.79	-5.61	-90.01
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CN=C(N)NC1=O	REAL300025141411	0	43	-2.0	-87.20	379.83	-2.00	-89.20
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CN=C(N)[N-]C1=O	REAL300025141411	1	43	-2.0	-87.20	379.83	-2.00	-89.20
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC=NC=C1O	REAL300025141486	0	42	-2.0	-99.70	371.58	0.41	-99.29
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC=NC=C1[O-]	REAL300025141486	1	42	-2.0	-99.70	371.58	0.41	-99.29
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300025141491	0	39	-2.0	-96.22	355.34	-2.52	-98.74
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=NC(=O)C(C)S1	REAL300025141506	0	42	-2.0	-91.90	390.85	-3.19	-95.09
CC1=C([O-])N=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)S1	REAL300025141506	1	42	-2.0	-91.90	390.85	-3.19	-95.09
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300025141597	0	43	-2.0	-87.56	387.13	-4.17	-91.73
CCN1[N-]C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)=CC1=O	REAL300025141635	0	46	-2.0	-90.61	409.47	-0.62	-91.23
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300025141651	0	43	-2.0	-90.72	386.76	-1.62	-92.34
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC=C(O)C(F)=C1	REAL300025141731	0	43	-2.0	-92.20	384.64	0.68	-91.52
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300025141731	1	43	-2.0	-92.20	384.64	0.68	-91.52
CC1=CN=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C(O)=C1	REAL300025141786	0	45	-2.0	-103.64	397.52	0.75	-102.89
CC1=CN=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C([O-])=C1	REAL300025141786	1	45	-2.0	-103.64	397.52	0.75	-102.89
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC([O-])=CS1	REAL300025141798	0	40	-2.0	-98.49	373.30	-0.84	-99.33
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300025141809	0	43	-2.0	-107.71	386.66	0.76	-106.95
CC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025141903	0	41	-2.0	-99.94	373.98	-5.59	-105.53
CC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025141903	1	41	-2.0	-89.82	371.53	-4.51	-94.33
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025142002	0	39	-2.0	-98.25	355.84	-2.99	-101.24
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=COC(=O)[N-]1	REAL300025142352	1	45	-2.0	-85.28	384.55	-2.43	-87.71
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=CC(=O)N[N-]1	REAL300025142430	0	46	-2.0	-84.64	389.38	-1.45	-86.09
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=NC(=O)N[N-]1	REAL300025142498	0	45	-2.0	-84.90	383.98	-2.75	-87.65
CC1(C)CN(C(=O)C2=COC(=O)[N-]2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025142854	1	45	-2.0	-87.30	381.44	-1.20	-88.50
CC1(C)CN(C(=O)C2=CC(=O)N[N-]2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025142906	0	46	-2.0	-85.89	386.33	-1.26	-87.15
CC1(C)CN(C(=O)C2=NC(=O)N[N-]2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025142916	0	45	-2.0	-86.49	380.89	-1.91	-88.40
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CCC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025143061	0	45	-2.0	-90.75	381.06	-1.30	-92.05
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300025143200	0	45	-2.0	-88.71	384.12	-0.96	-89.67
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300025143890	1	43	-2.0	-87.25	375.46	-5.06	-92.31
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300025143956	0	44	-2.0	-88.10	380.57	-5.10	-93.20
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300025144013	0	43	-2.0	-87.23	375.12	-5.75	-92.98
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(CNC(=O)C2=COC(=O)[N-]2)CC1	REAL300025144323	1	43	-2.0	-86.17	378.82	-6.29	-92.46
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(CNC(=O)C2=CC(=O)N[N-]2)CC1	REAL300025144369	0	44	-2.0	-86.24	383.64	-5.31	-91.55
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(CNC(=O)C2=NC(=O)N[N-]2)CC1	REAL300025144378	0	43	-2.0	-86.09	378.23	-6.59	-92.68
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300025144497	0	43	-2.0	-91.10	378.38	-4.83	-95.93
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300025144611	0	43	-2.0	-92.98	375.26	-5.15	-98.13
CC1CC(NC(=O)C2=COC(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145301	1	42	-2.0	-85.55	363.24	-3.09	-88.64
CC1CC(NC(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145385	0	45	-2.0	-90.86	385.31	-1.90	-92.76
CC1CC(NC(=O)C2=C[N-]N=CC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145413	0	44	-2.0	-77.86	372.29	0.06	-77.80
CC1CC(NC(=O)C2=CC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145447	0	43	-2.0	-84.78	372.35	-2.49	-87.27
CC1CC(NC(=O)C2=NC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145608	0	42	-2.0	-84.96	366.95	-3.78	-88.74
CC1CC(NC(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025145691	0	46	-2.0	-87.25	390.84	-0.39	-87.64
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300025145939	1	45	-2.0	-99.58	382.81	1.27	-98.31
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300025146319	1	42	-2.0	-87.85	364.27	-2.22	-90.07
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300025146382	0	44	-2.0	-83.36	378.42	-0.91	-84.27
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300025146430	0	43	-2.0	-86.66	370.65	-2.34	-89.00
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300025146456	0	42	-2.0	-87.27	363.92	-2.91	-90.18
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300025146627	0	45	-2.0	-92.32	386.61	-2.11	-94.43
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=NC=C1[O-]	REAL300025146726	0	45	-2.0	-96.68	385.05	-0.42	-97.10
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300025146728	0	42	-2.0	-91.36	365.57	-2.29	-93.65
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300025146799	0	46	-2.0	-89.01	393.38	-0.65	-89.66
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC([O-])=CS1	REAL300025146865	0	43	-2.0	-96.22	380.03	-0.54	-96.76
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025146981	0	42	-2.0	-88.88	367.05	-1.99	-90.87
C[C@@H](CCNC(=O)C1=NNC(=O)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148083	0	40	-2.0	-96.48	373.79	-6.61	-103.09
C[C@@H](CCNC(=O)CN1C(=O)[N-]NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148163	0	42	-2.0	-99.73	387.91	-4.95	-104.68
C[C@@H](CCNC(=O)C1=CN([O-])C(=O)C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148716	0	42	-2.0	-109.43	384.87	-0.48	-109.91
C[C@@H](CCNC(=O)C1=CC(=O)NC([O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148827	0	42	-2.0	-89.34	385.33	-5.37	-94.71
C[C@@H](CCNC(=O)C1=COC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025148838	1	38	-2.0	-87.95	357.41	-5.54	-93.49
CCN1[N-]C(C(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025149003	0	45	-2.0	-93.89	406.78	-1.90	-95.79
C[C@@H](CCNC(=O)C1=CC=CC(=S)N1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149023	0	42	-2.0	-131.54	393.42	1.57	-129.97
C[C@@H](CCNC(=O)C1=NN(C)C(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149046	0	41	-2.0	-97.25	379.56	-4.34	-101.59
C[C@@H](CCNC(=O)C1=C[N-]N=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149128	0	40	-2.0	-81.34	366.45	-2.39	-83.73
CC1=C(CC(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N(C)[N-]1	REAL300025149165	0	48	-2.0	-103.80	425.70	-1.50	-105.30
C[C@@H](CCNC(=O)C1=CC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149219	0	39	-2.0	-90.07	362.23	-4.55	-94.62
C[C@@H](CCNC(=O)C(=O)[PH](C)(C)[O-])NC(=O)CSC1=NC(=O)[N-]N1	REAL300025149224	1	44	-2.0	-95.02	396.41	-3.52	-98.54
C[C@@H](CCNC(=O)CC1=CC(=O)N(C)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149227	0	45	-2.0	-104.81	405.73	-2.19	-107.00
C[C@@H](CCNC(=O)CCC1=NC(=O)[N-]N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149249	1	44	-2.0	-99.42	398.16	-4.87	-104.29
C[C@@H](CCNC(=O)C1=CC=CN([O-])C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149252	0	42	-2.0	-96.78	382.47	-0.31	-97.09
CC1=C([O-])N=C(C(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025149278	1	41	-2.0	-93.49	389.00	-4.43	-97.92
C[C@@H](CCNC(=O)C1=CC(=O)N([O-])C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149307	0	42	-2.0	-109.27	385.24	-0.48	-109.75
C[C@@H](CCNC(=O)C1=CC=CC(=O)N1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149337	0	42	-2.0	-127.49	382.31	0.53	-126.96
C[C@@H](CCNC(=O)C[N-]C(=O)C(F)(F)F)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149451	0	41	-2.0	-90.80	392.36	-4.66	-95.46
C[C@@H](CCNC(=O)CC1=NC([O-])=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149494	0	41	-2.0	-113.36	388.75	-4.63	-117.99
C[C@@H](CCNC(=O)CN1N=CC(=O)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149520	0	43	-2.0	-103.38	398.25	-6.06	-109.44
CC1=CC(=O)C(C(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025149715	0	43	-2.0	-94.93	390.95	-0.75	-95.68
C[C@@H](CCNC(=O)C1=NC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149728	0	38	-2.0	-88.71	356.82	-5.84	-94.55
C[C@@H](CCNC(=O)C1=CN=C(C=N[O-])S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149834	0	41	-2.0	-102.32	397.61	-2.96	-105.28
COC1=NC(C(=O)NCC[C@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300025149846	0	44	-2.0	-95.32	402.95	-6.53	-101.85
C[C@@H](CCNC(=O)C1=CC(=O)N(C)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025149981	0	42	-2.0	-92.95	385.05	-2.84	-95.79
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC=CC=C1[O-]	REAL300025150233	1	41	-2.0	-104.35	374.28	-1.11	-105.46
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NNC(=O)[N-]C1=O	REAL300025150352	0	40	-2.0	-96.71	373.79	-6.62	-103.33
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C(=O)[N-]NC1=O	REAL300025150502	0	42	-2.0	-97.77	387.90	-4.94	-102.71
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(Cl)=CC=C1[O-]	REAL300025151730	1	42	-2.0	-101.33	393.78	1.11	-100.22
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([O-])=CC(C#N)=C1	REAL300025151754	1	43	-2.0	-90.36	400.07	-0.65	-91.01
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=COC(=O)[N-]1	REAL300025151851	1	38	-2.0	-92.98	357.40	-5.53	-98.51
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N-]C(=O)C(F)(F)F	REAL300025151915	0	41	-2.0	-91.66	392.35	-4.65	-96.31
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C=C1F	REAL300025151936	1	42	-2.0	-96.40	383.73	-0.92	-97.32
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([O-])=CC(=O)O1	REAL300025151942	0	41	-2.0	-93.19	382.55	-1.78	-94.97
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C#N)C([O-])=C1	REAL300025151948	1	43	-2.0	-99.71	399.36	-0.57	-100.28
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1N=CC(=O)[N-]C1=O	REAL300025151965	0	43	-2.0	-104.18	398.24	-6.05	-110.23
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[N-]N=CC1=O	REAL300025152038	0	40	-2.0	-85.13	366.45	-2.38	-87.51
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(F)=C1[O-]	REAL300025152046	0	42	-2.0	-109.39	383.27	0.66	-108.73
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC([O-])=C1F	REAL300025152130	1	42	-2.0	-107.18	383.60	-0.94	-108.12
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N[N-]1	REAL300025152223	0	39	-2.0	-92.45	362.23	-4.54	-96.99
C[C@@H](CCNC(=O)CSC1=NC(=O)[N-]N1)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300025152229	1	44	-2.0	-95.09	396.41	-3.51	-98.60
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=CC(=O)N(C)[N-]1	REAL300025152234	0	45	-2.0	-103.18	405.73	-2.19	-105.37
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N([O-])C=C1	REAL300025152312	0	42	-2.0	-109.19	385.24	-0.48	-109.67
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)N[N-]1	REAL300025152334	0	38	-2.0	-93.01	356.82	-5.84	-98.85
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C([O-])C=CC=C1Cl	REAL300025152336	1	42	-2.0	-104.15	398.45	-0.69	-104.84
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CN([O-])C1=O	REAL300025152340	0	42	-2.0	-104.13	382.39	-0.30	-104.43
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(N)=CC(=O)[N-]1	REAL300025152446	0	42	-2.0	-100.96	386.39	-5.10	-106.06
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300025152489	0	42	-2.0	-92.99	395.19	-0.43	-93.42
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(F)=CC=C1[O-]	REAL300025152494	1	42	-2.0	-100.86	383.46	0.66	-100.20
CC1=CC=NC(C(=O)N[C@@H](C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300025152556	1	44	-2.0	-104.23	394.60	-0.42	-104.65
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(=S)N1[O-]	REAL300025152659	0	42	-2.0	-126.12	393.47	1.56	-124.56
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C=C1Cl	REAL300025152792	1	42	-2.0	-94.91	391.70	-0.48	-95.39
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=NC([O-])=CS1	REAL300025152803	0	41	-2.0	-112.72	388.74	-4.63	-117.35
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C([O-])C=CC=C1F	REAL300025152818	1	42	-2.0	-104.80	388.95	-1.06	-105.86
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300025152819	0	44	-2.0	-98.43	404.01	-3.96	-102.39
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(F)C=C1[O-]	REAL300025152820	0	42	-2.0	-103.89	383.45	0.67	-103.22
CC1=CC=C(F)C([O-])=C1C(=O)N[C@@H](C)CCNC(=O)CSC1=NNC(=O)[N-]1	REAL300025152850	0	45	-2.0	-99.79	408.39	-0.52	-100.31
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(Cl)=C1[O-]	REAL300025152935	0	42	-2.0	-104.06	393.08	1.13	-102.93
CC1=CC(=O)C(C(=O)N[C@@H](C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025152963	0	43	-2.0	-96.12	390.95	-0.76	-96.88
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(=O)N1[O-]	REAL300025152985	0	42	-2.0	-123.09	382.36	0.52	-122.57
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C#N)[N-]C1=O	REAL300025153008	0	42	-2.0	-86.54	392.16	-2.51	-89.05
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NN(C)C(=O)[N-]1	REAL300025153049	0	41	-2.0	-98.88	379.55	-4.35	-103.23
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(F)C=CC(O)=C1O	REAL300025153094	0	43	-2.0	-98.77	399.69	-2.99	-101.76
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300025153094	1	43	-2.0	-98.77	399.69	-2.99	-101.76
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(C#N)=CC=C1[O-]	REAL300025153103	0	43	-2.0	-98.08	397.88	1.02	-97.06
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300025153183	0	42	-2.0	-92.15	387.69	-2.85	-95.00
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(F)C([O-])=C1	REAL300025153231	1	42	-2.0	-97.04	385.44	-0.96	-98.00
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)[N-]C(=O)C(F)(F)C(F)(F)F	REAL300025153241	1	37	-2.0	-82.05	360.13	-2.23	-84.28
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(Cl)C=C1[O-]	REAL300025153249	1	42	-2.0	-103.62	393.77	1.12	-102.50
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025153312	0	40	-2.0	-89.52	376.00	-6.84	-96.36
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025153312	1	40	-2.0	-89.52	376.00	-6.84	-96.36
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C(N)NC1=O	REAL300025153365	0	42	-2.0	-91.77	380.66	-3.68	-95.45
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C(N)[N-]C1=O	REAL300025153365	1	42	-2.0	-91.77	380.66	-3.68	-95.45
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NC=C1O	REAL300025153486	0	41	-2.0	-103.83	372.34	-1.21	-105.04
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NC=C1[O-]	REAL300025153486	1	41	-2.0	-103.83	372.34	-1.21	-105.04
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300025153492	0	38	-2.0	-96.77	356.97	-4.06	-100.83
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)C(C)S1	REAL300025153513	0	41	-2.0	-99.60	388.77	-4.43	-104.03
CC1=C([O-])N=C(C(=O)N[C@@H](C)CCNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025153513	1	41	-2.0	-99.60	388.77	-4.43	-104.03
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(=O)C1=CC=C(O)C=C1	REAL300025153600	0	44	-2.0	-93.72	399.54	-1.15	-94.87
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C(=O)C1=CC=C([O-])C=C1	REAL300025153600	1	44	-2.0	-93.72	399.54	-1.15	-94.87
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C(C=N[O-])S1	REAL300025153617	0	41	-2.0	-103.86	397.61	-2.95	-106.81
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)NC([O-])=C1	REAL300025153652	0	42	-2.0	-91.60	385.33	-5.38	-96.98
CCN1[N-]C(C(=O)N[C@@H](C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025153706	0	45	-2.0	-95.81	406.78	-1.89	-97.70
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300025153723	0	42	-2.0	-95.06	385.04	-2.82	-97.88
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(O)C(F)=C1	REAL300025153852	0	42	-2.0	-96.55	385.40	-0.92	-97.47
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300025153852	1	42	-2.0	-96.55	385.40	-0.92	-97.47
CC1=CN=C(C(=O)N[C@@H](C)CCNC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1	REAL300025153946	0	44	-2.0	-105.87	395.73	-0.47	-106.34
CC1=CN=C(C(=O)N[C@@H](C)CCNC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300025153946	1	44	-2.0	-105.87	395.73	-0.47	-106.34
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([O-])=CS1	REAL300025153964	0	39	-2.0	-101.40	371.46	-2.08	-103.48
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN([O-])C(=O)C=C1	REAL300025153979	0	42	-2.0	-108.54	384.86	-0.46	-109.00
C[C@@H](CCNC(=O)C1=NC(=O)[N-]C(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154134	0	40	-2.0	-90.58	375.35	-7.61	-98.19
C[C@@H](CCNC(=O)C1=NC(=O)NC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154134	1	40	-2.0	-86.31	376.00	-6.85	-93.16
C[C@@H](CCNC(=O)CN1[N-]C(=O)C=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154267	0	44	-2.0	-100.60	404.01	-3.97	-104.57
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154274	0	38	-2.0	-93.71	356.97	-4.07	-97.78
C[C@@H](CCNC(=O)C1=CN([O-])C(=O)NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025154285	0	42	-2.0	-89.87	387.71	-2.84	-92.71
CN(C(=O)C1=COC(=O)[N-]1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154646	1	45	-2.0	-93.06	379.19	0.16	-92.90
CN(C(=O)C1=CC(=O)N[N-]1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154724	0	46	-2.0	-98.18	383.70	0.10	-98.08
CN(C(=O)C1=NC(=O)N[N-]1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025154792	0	45	-2.0	-87.51	380.05	-0.52	-88.03
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300025155148	1	45	-2.0	-95.90	378.28	0.76	-95.14
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300025155200	0	46	-2.0	-99.02	384.87	0.19	-98.83
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300025155210	0	45	-2.0	-96.50	379.69	-0.30	-96.80
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300025155355	0	45	-2.0	-103.08	378.34	0.12	-102.96
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025155494	0	45	-2.0	-100.79	378.67	0.18	-100.61
CCN(C(=O)C1=NNC(=O)[N-]C1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156485	0	41	-2.0	-95.67	365.32	-3.84	-99.51
CCN(C(=O)CN1C(=O)[N-]NC1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156533	0	43	-2.0	-118.16	380.10	-1.41	-119.57
CCN(C(=O)C1=CN([O-])C(=O)C=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156873	0	43	-2.0	-125.81	372.65	2.70	-123.11
CCN(C(=O)C1=CC(=O)NC([O-])=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156948	0	43	-2.0	-88.02	377.47	-3.19	-91.21
CCN(C(=O)C1=COC(=O)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025156959	1	39	-2.0	-85.69	349.93	-1.05	-86.74
CCN(C(=O)C1=CC(=O)N(CC)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157064	0	46	-2.0	-92.79	399.40	1.09	-91.70
CCN(C(=O)C1=NN(C)C(=O)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157090	0	42	-2.0	-96.03	371.59	-1.52	-97.55
CCN(C(=O)C1=C[N-]N=CC1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157142	0	41	-2.0	-98.19	359.66	0.42	-97.77
CCN(C(=O)C1=CC(=O)N[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157200	0	40	-2.0	-88.16	353.97	-1.64	-89.80
CCN(C(=O)C(=O)[PH](C)(C)[O-])C1CN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300025157205	1	45	-2.0	-110.90	387.80	1.00	-109.90
CCN(C(=O)CC1=CC(=O)N(C)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157207	0	46	-2.0	-124.69	397.96	1.38	-123.31
CCN(C(=O)C1=CC=CN([O-])C1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157225	0	43	-2.0	-130.65	377.98	2.83	-127.82
CCN(C(=O)C1=NC([O-])=C(C)S1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157244	1	42	-2.0	-90.58	380.77	-0.52	-91.10
CCN(C(=O)C1=CC(=O)N([O-])C=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157258	0	43	-2.0	-105.33	376.84	1.59	-103.74
CCN(C(=O)C1=CC=CC(=O)N1[O-])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157279	0	43	-2.0	-120.52	375.41	2.20	-118.32
CCN(C(=O)CC1=NC([O-])=CS1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157380	0	42	-2.0	-136.05	380.97	-1.05	-137.10
CCN(C(=O)C1=N[N-]C(C)=CC1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157518	0	44	-2.0	-91.78	382.48	2.02	-89.76
CCN(C(=O)C1=NC(=O)N[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157528	0	39	-2.0	-86.26	348.85	-2.00	-88.26
CCN(C(=O)C1=CC(=O)N(C)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025157694	0	43	-2.0	-91.00	376.78	0.07	-90.93
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025157944	1	42	-2.0	-100.93	366.68	1.29	-99.64
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300025158033	0	41	-2.0	-92.19	366.27	-4.35	-96.54
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300025158119	0	43	-2.0	-94.68	382.95	-2.73	-97.41
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025158903	1	39	-2.0	-87.23	350.18	-2.87	-90.10
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300025158965	1	43	-2.0	-91.31	376.42	0.95	-90.36
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300025158968	0	42	-2.0	-87.04	374.68	0.36	-86.68
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300025159016	1	45	-2.0	-97.00	392.89	-2.54	-99.54
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025159025	0	41	-2.0	-90.10	359.50	0.53	-89.57
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300025159032	0	43	-2.0	-107.24	378.53	2.35	-104.89
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300025159087	1	43	-2.0	-103.53	378.78	0.93	-102.60
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025159151	0	40	-2.0	-112.84	353.26	-0.93	-113.77
CCN(C(=O)CSC1=NC(=O)[N-]N1)C1CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300025159156	1	45	-2.0	-105.21	388.42	0.76	-104.45
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2=CC(=O)N(C)[N-]2)C1	REAL300025159160	0	46	-2.0	-99.01	400.70	0.04	-98.97
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300025159201	0	43	-2.0	-103.14	376.07	1.30	-101.84
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025159215	0	39	-2.0	-86.85	349.39	-3.21	-90.06
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300025159219	0	43	-2.0	-107.54	383.59	1.67	-105.87
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1	REAL300025159291	0	43	-2.0	-95.94	378.48	-2.63	-98.57
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300025159315	1	43	-2.0	-97.50	376.22	2.41	-95.09
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC=CC(C)=C2[O-])C1	REAL300025159356	1	45	-2.0	-100.62	386.65	2.10	-98.52
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300025159489	0	42	-2.0	-105.81	383.48	-2.30	-108.11
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300025159499	0	43	-2.0	-112.72	381.55	3.06	-109.66
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300025159500	0	43	-2.0	-100.86	376.25	2.42	-98.44
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=N[N-]C(C)=CC2=O)C1	REAL300025159584	0	44	-2.0	-91.77	383.47	1.52	-90.25
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300025159599	0	43	-2.0	-148.86	372.15	3.78	-145.08
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300025159641	0	42	-2.0	-93.66	372.48	-2.09	-95.75
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300025159754	1	43	-2.0	-99.84	376.18	0.79	-99.05
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300025159799	0	41	-2.0	-83.64	368.08	-4.15	-87.79
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300025159799	1	41	-2.0	-83.64	368.08	-4.15	-87.79
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CN=C(N)NC2=O)C1	REAL300025159833	0	43	-2.0	-93.62	381.74	-1.77	-95.39
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300025159833	1	43	-2.0	-93.62	381.74	-1.77	-95.39
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025159913	0	39	-2.0	-90.67	350.04	-1.96	-92.63
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(=O)C(C)S2)C1	REAL300025159928	0	42	-2.0	-93.07	381.52	-1.79	-94.86
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC([O-])=C(C)S2)C1	REAL300025159928	1	42	-2.0	-93.07	381.52	-1.79	-94.86
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300025160019	0	43	-2.0	-86.26	374.28	-3.54	-89.80
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)N(CC)[N-]2)C1	REAL300025160057	0	46	-2.0	-90.35	399.22	0.45	-89.90
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300025160073	0	43	-2.0	-89.51	377.41	-0.49	-90.00
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300025160153	1	43	-2.0	-92.85	376.14	0.83	-92.02
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC=C(C)C=C2[O-])C1	REAL300025160208	1	45	-2.0	-102.41	388.12	1.92	-100.49
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC([O-])=CS2)C1	REAL300025160220	0	40	-2.0	-96.74	361.88	-0.09	-96.83
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300025160231	0	43	-2.0	-102.81	373.78	1.36	-101.45
CCN(C(=O)C1=NC(=O)[N-]C(=O)N1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025160325	0	41	-2.0	-85.07	368.17	-2.70	-87.77
CCN(C(=O)C1=NC(=O)NC(=O)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025160325	1	41	-2.0	-85.07	368.17	-2.70	-87.77
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025160424	0	39	-2.0	-112.30	345.50	-0.62	-112.92
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCCN1C(=O)C1=COC(=O)[N-]1	REAL300025161585	1	42	-2.0	-89.47	361.30	-1.26	-90.73
CN1N=C(C(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025161658	0	45	-2.0	-102.48	383.82	-1.16	-103.64
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCCN1C(=O)C1=C[N-]N=CC1=O	REAL300025161683	0	44	-2.0	-85.03	369.75	0.15	-84.88
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)N[N-]1	REAL300025161714	0	43	-2.0	-94.53	366.37	-1.34	-95.87
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCCN1C(=O)C1=NC(=O)N[N-]1	REAL300025161851	0	42	-2.0	-90.74	361.28	-1.96	-92.70
CN1[N-]C(C(=O)N2CCCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025161918	0	46	-2.0	-97.48	389.12	0.36	-97.12
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@H]1CNC(=O)C1=NC=CC=C1[O-]	REAL300025162166	1	45	-2.0	-112.71	383.22	0.99	-111.72
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@H]1CNC(=O)C1=COC(=O)[N-]1	REAL300025162629	1	42	-2.0	-90.44	365.76	-3.46	-93.90
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@H]1CNC(=O)C1=C[N-]N=CC1=O	REAL300025162696	0	44	-2.0	-86.45	374.79	-0.31	-86.76
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)N[N-]1	REAL300025162753	0	43	-2.0	-93.28	370.58	-2.46	-95.74
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@H]1CNC(=O)C1=NC(=O)N[N-]1	REAL300025162785	0	42	-2.0	-100.05	364.56	-2.82	-102.87
CN1N=C(C(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025162988	0	45	-2.0	-105.92	387.21	-1.31	-107.23
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@H]1CNC(=O)C1=CC=NC=C1[O-]	REAL300025163106	1	45	-2.0	-111.84	380.67	0.87	-110.97
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300025163108	0	42	-2.0	-95.04	365.33	-1.99	-97.03
CN1[N-]C(C(=O)NC[C@@H]2CCCCN2C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025163188	0	46	-2.0	-96.47	393.73	-0.74	-97.21
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@H]1CNC(=O)C1=CC([O-])=CS1	REAL300025163272	0	43	-2.0	-103.16	379.80	-0.00	-103.16
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300025163377	0	42	-2.0	-99.48	361.13	-1.26	-100.74
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1(CNC(=O)C1=COC(=O)[N-]1)C2	REAL300025164090	1	40	-2.0	-106.11	360.88	-2.64	-108.75
CN1N=C(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025164177	0	43	-2.0	-107.42	383.95	-1.57	-108.99
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1(CNC(=O)C1=C[N-]N=CC1=O)C2	REAL300025164209	0	42	-2.0	-97.90	369.67	0.51	-97.39
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1(CNC(=O)C1=CC(=O)N[N-]1)C2	REAL300025164243	0	41	-2.0	-101.82	366.69	-1.78	-103.60
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1(CNC(=O)C1=NC(=O)N[N-]1)C2	REAL300025164412	0	40	-2.0	-104.39	361.29	-3.06	-107.45
CN1[N-]C(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025164499	0	44	-2.0	-104.35	389.51	-0.07	-104.42
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C1=NC=CC=C1[O-]	REAL300025164748	1	43	-2.0	-111.51	375.57	1.78	-109.73
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C1=COC(=O)[N-]1	REAL300025165137	1	40	-2.0	-92.60	358.85	-2.17	-94.77
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C1=C[N-]N=CC1=O	REAL300025165203	0	42	-2.0	-94.75	377.42	-0.06	-94.81
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C1=CC(=O)N[N-]1	REAL300025165252	0	41	-2.0	-97.08	363.69	-1.64	-98.72
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C1=NC(=O)N[N-]1	REAL300025165279	0	40	-2.0	-94.36	358.44	-2.64	-97.00
CN1N=C(C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)[N-]C1=O	REAL300025165461	0	43	-2.0	-104.69	381.44	-1.48	-106.17
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C1=CC=NC=C1[O-]	REAL300025165570	0	43	-2.0	-113.37	370.94	0.96	-112.41
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300025165573	0	40	-2.0	-99.68	360.78	-1.60	-101.28
CN1[N-]C(C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)=CC1=O	REAL300025165651	0	44	-2.0	-100.18	386.45	0.07	-100.11
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C1=CC([O-])=CS1	REAL300025165723	0	41	-2.0	-109.32	372.11	0.17	-109.15
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300025165845	0	40	-2.0	-106.37	360.45	-1.17	-107.54
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2C(NC(=O)C3=COC(=O)[N-]3)C21	REAL300025166736	1	40	-2.0	-89.62	354.89	-2.61	-92.23
CN1N=C(C(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)[N-]C1=O	REAL300025166823	0	43	-2.0	-91.59	376.96	-1.43	-93.02
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2C(NC(=O)C3=C[N-]N=CC3=O)C21	REAL300025166855	0	42	-2.0	-85.05	372.87	-0.32	-85.37
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2C(NC(=O)C3=CC(=O)N[N-]3)C21	REAL300025166889	0	41	-2.0	-98.71	360.95	-1.47	-100.18
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2C(NC(=O)C3=NC(=O)N[N-]3)C21	REAL300025167058	0	40	-2.0	-88.68	354.31	-2.91	-91.59
CN1[N-]C(C(=O)NC2C3CCCN(C(=O)CSC4=NNC(=O)[N-]4)C32)=CC1=O	REAL300025167145	0	44	-2.0	-94.19	391.48	-0.79	-94.98
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCN(C(=O)C3=NC=CC=C3[O-])C21	REAL300025167394	1	43	-2.0	-104.76	377.27	1.40	-103.36
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCN(C(=O)C3=COC(=O)[N-]3)C21	REAL300025167783	1	40	-2.0	-100.68	353.03	-1.23	-101.91
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCN(C(=O)C3=C[N-]N=CC3=O)C21	REAL300025167849	0	42	-2.0	-90.80	379.09	-0.79	-91.59
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCN(C(=O)C3=CC(=O)N[N-]3)C21	REAL300025167898	0	41	-2.0	-102.51	358.11	-1.29	-103.80
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCN(C(=O)C3=NC(=O)N[N-]3)C21	REAL300025167925	0	40	-2.0	-101.88	352.88	-1.93	-103.81
CN1N=C(C(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)[N-]C1=O	REAL300025168107	0	43	-2.0	-109.76	375.06	-1.08	-110.84
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCN(C(=O)C3=CC=NC=C3[O-])C21	REAL300025168216	0	43	-2.0	-108.26	373.34	0.01	-108.25
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300025168219	0	40	-2.0	-106.48	352.90	-1.17	-107.65
CN1[N-]C(C(=O)N2CCCC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)=CC1=O	REAL300025168297	0	44	-2.0	-105.09	380.31	0.48	-104.61
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCN(C(=O)C3=CC([O-])=CS3)C21	REAL300025168369	0	41	-2.0	-112.92	365.41	0.41	-112.51
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300025168491	0	40	-2.0	-90.95	354.46	-1.12	-92.07
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@H](NC(=O)C2=COC(=O)[N-]2)C1	REAL300025169196	1	42	-2.0	-93.84	368.64	-3.10	-96.94
CN1N=C(C(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025169280	0	45	-2.0	-105.55	390.66	-1.93	-107.48
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@H](NC(=O)C2=C[N-]N=CC2=O)C1	REAL300025169308	0	44	-2.0	-81.21	375.50	0.03	-81.18
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@H](NC(=O)C2=CC(=O)N[N-]2)C1	REAL300025169342	0	43	-2.0	-97.96	373.41	-2.12	-100.08
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@H](NC(=O)C2=NC(=O)N[N-]2)C1	REAL300025169503	0	42	-2.0	-95.49	368.01	-3.43	-98.92
CN1[N-]C(C(=O)N[C@H]2CCCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025169586	0	46	-2.0	-101.06	396.14	-0.41	-101.47
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025169834	1	45	-2.0	-103.28	380.43	2.06	-101.22
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025170297	1	42	-2.0	-93.91	365.87	-1.80	-95.71
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025170364	0	44	-2.0	-85.95	381.67	-0.43	-86.38
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025170421	0	43	-2.0	-87.54	369.14	-1.78	-89.32
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025170453	0	42	-2.0	-95.62	364.95	-2.53	-98.15
CN1N=C(C(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025170656	0	45	-2.0	-107.65	388.20	-1.73	-109.38
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300025170774	0	45	-2.0	-116.69	386.84	-0.54	-117.23
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025170776	0	42	-2.0	-102.01	365.12	-1.99	-104.00
CN1[N-]C(C(=O)N2CCCC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025170856	0	46	-2.0	-102.56	393.02	-0.23	-102.79
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCCN(C(=O)C2=CC([O-])=CS2)C1	REAL300025170940	0	43	-2.0	-110.61	380.54	-0.06	-110.67
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300025171059	0	42	-2.0	-100.00	368.12	-1.66	-101.66
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1C(NC(=O)C1=COC(=O)[N-]1)C2	REAL300025171402	1	43	-2.0	-98.69	376.27	-2.70	-101.39
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1C(NC(=O)C1=CC(=O)N[N-]1)C2	REAL300025171484	0	44	-2.0	-92.84	381.10	-1.69	-94.53
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1C(NC(=O)C1=NC(=O)N[N-]1)C2	REAL300025171555	0	43	-2.0	-97.19	375.63	-2.98	-100.17
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CCC1N(C(=O)C1=COC(=O)[N-]1)C2	REAL300025171924	1	43	-2.0	-89.19	370.05	-1.79	-90.98
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CCC1N(C(=O)C1=CC(=O)N[N-]1)C2	REAL300025171978	0	44	-2.0	-90.37	374.74	-1.77	-92.14
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CCC1N(C(=O)C1=NC(=O)N[N-]1)C2	REAL300025171991	0	43	-2.0	-89.36	369.69	-2.44	-91.80
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300025172140	0	43	-2.0	-93.19	369.98	-1.60	-94.79
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300025172286	0	43	-2.0	-97.42	375.85	-1.21	-98.63
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1COCC[C@@H]1NC(=O)C1=COC(=O)[N-]1	REAL300025172927	1	40	-2.0	-90.67	364.40	-6.53	-97.20
CN1N=C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025173007	0	43	-2.0	-92.26	386.54	-5.33	-97.59
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1COCC[C@@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300025173032	0	42	-2.0	-77.51	372.63	-3.17	-80.68
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300025173064	0	41	-2.0	-87.06	369.23	-5.54	-92.60
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1COCC[C@@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300025173210	0	40	-2.0	-89.62	363.81	-6.84	-96.46
CN1[N-]C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025173285	0	44	-2.0	-89.13	392.04	-3.83	-92.96
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCOC[C@H]1NC(=O)C1=NC=CC=C1[O-]	REAL300025173522	1	43	-2.0	-97.14	381.28	-2.11	-99.25
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCOC[C@H]1NC(=O)C1=COC(=O)[N-]1	REAL300025173949	1	40	-2.0	-87.46	364.40	-6.53	-93.99
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCOC[C@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300025174010	0	42	-2.0	-80.92	372.63	-3.18	-84.10
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300025174063	0	41	-2.0	-86.36	369.24	-5.53	-91.89
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCOC[C@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300025174091	0	40	-2.0	-87.06	363.81	-6.83	-93.89
CN1N=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025174274	0	43	-2.0	-92.44	386.54	-5.34	-97.78
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC=NC=C1[O-]	REAL300025174378	1	43	-2.0	-95.16	378.52	-2.01	-97.17
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300025174380	0	40	-2.0	-90.92	363.97	-5.05	-95.97
CN1[N-]C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025174454	0	44	-2.0	-88.76	391.24	-3.62	-92.38
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC([O-])=CS1	REAL300025174529	0	41	-2.0	-94.77	377.66	-2.88	-97.65
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300025174634	0	40	-2.0	-92.27	363.97	-5.05	-97.32
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300025175360	0	41	-2.0	-91.10	375.09	-6.15	-97.25
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)CN1C(=O)[N-]NC1=O	REAL300025175408	0	43	-2.0	-92.99	389.45	-4.53	-97.52
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300025175748	0	43	-2.0	-102.77	386.17	0.01	-102.76
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300025175823	0	43	-2.0	-86.52	386.64	-4.92	-91.44
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=COC(=O)[N-]1	REAL300025175834	1	39	-2.0	-89.21	359.90	-5.21	-94.42
CCN1[N-]C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025175939	0	46	-2.0	-90.20	409.39	-1.57	-91.77
CN1N=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025175965	0	42	-2.0	-93.05	382.05	-4.00	-97.05
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300025176017	0	41	-2.0	-81.63	368.95	-2.04	-83.67
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300025176075	0	40	-2.0	-87.16	364.72	-4.21	-91.37
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NC(=O)NN1	REAL300025176080	0	45	-2.0	-92.57	402.11	-3.26	-95.83
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NC(=O)[N-]N1	REAL300025176080	1	45	-2.0	-92.57	402.11	-3.26	-95.83
O=C(CCC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025176098	0	45	-2.0	-90.64	400.74	-4.01	-94.65
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC=CN([O-])C1=O	REAL300025176100	0	43	-2.0	-102.73	384.90	0.02	-102.71
CC1SC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)=NC1=O	REAL300025176119	0	42	-2.0	-96.14	391.50	-4.10	-100.24
CC1=C([O-])N=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025176119	1	42	-2.0	-96.14	391.50	-4.10	-100.24
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300025176133	0	43	-2.0	-103.38	386.54	-0.02	-103.40
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300025176154	0	43	-2.0	-116.52	383.61	0.99	-115.53
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)CC1=NC([O-])=CS1	REAL300025176255	0	42	-2.0	-103.07	391.24	-4.29	-107.36
CC1=CC(=O)C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025176393	0	44	-2.0	-90.36	393.44	-0.43	-90.79
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300025176403	0	39	-2.0	-88.47	359.32	-5.51	-93.98
CN1[N-]C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025176569	0	43	-2.0	-89.79	386.27	-2.37	-92.16
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=NC=CC=C1[O-]	REAL300025176819	1	42	-2.0	-99.27	375.58	-0.65	-99.92
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300025176908	0	41	-2.0	-91.10	375.09	-6.15	-97.25
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)CN1C(=O)[N-]NC1=O	REAL300025176994	0	43	-2.0	-92.99	389.45	-4.53	-97.52
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=COC(=O)[N-]1	REAL300025177778	1	39	-2.0	-89.21	359.90	-5.21	-94.42
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C([O-])C=C1F	REAL300025177840	1	43	-2.0	-90.56	386.22	-0.60	-91.16
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC([O-])=CC(=O)O1	REAL300025177843	0	42	-2.0	-88.85	385.04	-1.44	-90.29
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300025177900	0	41	-2.0	-81.63	368.95	-2.04	-83.67
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC=CC(F)=C1[O-]	REAL300025177907	0	43	-2.0	-101.78	385.75	0.99	-100.79
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC=CC([O-])=C1F	REAL300025177962	1	43	-2.0	-100.09	386.07	-0.61	-100.70
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300025178026	0	40	-2.0	-87.16	364.72	-4.21	-91.37
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NC(=O)NN1	REAL300025178031	0	45	-2.0	-92.57	402.11	-3.26	-95.83
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)CSC1=NC(=O)[N-]N1	REAL300025178031	1	45	-2.0	-92.57	402.11	-3.26	-95.83
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300025178076	0	43	-2.0	-103.38	386.54	-0.02	-103.40
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300025178090	0	39	-2.0	-88.47	359.32	-5.51	-93.98
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC=CN([O-])C1=O	REAL300025178094	0	43	-2.0	-102.73	384.90	0.02	-102.71
NC1=CC(=O)[N-]C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)=N1	REAL300025178166	0	43	-2.0	-95.41	387.69	-4.65	-100.06
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(F)=CC=C1[O-]	REAL300025178190	1	43	-2.0	-94.07	385.96	0.98	-93.09
CC1=CC=NC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300025178231	1	45	-2.0	-97.72	397.11	-0.08	-97.80
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)CC1=NC([O-])=CS1	REAL300025178364	0	42	-2.0	-103.07	391.24	-4.29	-107.36
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=C([O-])C=CC=C1F	REAL300025178374	1	43	-2.0	-92.85	391.45	-0.72	-93.57
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(F)C=C1[O-]	REAL300025178375	0	43	-2.0	-96.42	385.94	0.99	-95.43
CC1=CC(=O)C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025178459	0	44	-2.0	-90.36	393.44	-0.43	-90.79
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300025178474	0	43	-2.0	-116.52	383.61	0.99	-115.53
CN1N=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025178516	0	42	-2.0	-93.05	382.05	-4.00	-97.05
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(F)C([O-])=C1	REAL300025178629	1	43	-2.0	-92.45	386.73	-0.50	-92.95
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025178674	0	41	-2.0	-84.65	377.31	-6.37	-91.02
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025178674	1	41	-2.0	-84.65	377.31	-6.37	-91.02
NC1=NC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300025178708	0	43	-2.0	-89.06	383.10	-3.33	-92.39
NC1=NC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300025178708	1	43	-2.0	-89.06	383.10	-3.33	-92.39
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC=NC=C1O	REAL300025178783	0	42	-2.0	-97.02	373.92	-0.79	-97.81
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC=NC=C1[O-]	REAL300025178783	1	42	-2.0	-97.02	373.92	-0.79	-97.81
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300025178788	0	39	-2.0	-91.69	359.47	-3.73	-95.42
CC1SC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)=NC1=O	REAL300025178803	0	42	-2.0	-96.14	391.50	-4.10	-100.24
CC1=C([O-])N=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025178803	1	42	-2.0	-96.14	391.50	-4.10	-100.24
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300025178894	0	43	-2.0	-86.52	386.64	-4.92	-91.44
CCN1[N-]C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025178932	0	46	-2.0	-90.20	409.39	-1.57	-91.77
CN1[N-]C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025178948	0	43	-2.0	-89.79	386.27	-2.37	-92.16
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(O)C(F)=C1	REAL300025179028	0	43	-2.0	-91.27	386.70	-0.46	-91.73
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C([O-])C(F)=C1	REAL300025179028	1	43	-2.0	-91.27	386.70	-0.46	-91.73
CC1=CN=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1	REAL300025179083	0	45	-2.0	-100.74	397.02	-0.01	-100.75
CC1=CN=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300025179083	1	45	-2.0	-100.74	397.02	-0.01	-100.75
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC([O-])=CS1	REAL300025179095	0	40	-2.0	-95.51	373.95	-1.74	-97.25
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300025179106	0	43	-2.0	-102.77	386.17	0.01	-102.76
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025179200	0	41	-2.0	-84.65	377.31	-6.37	-91.02
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025179200	1	41	-2.0	-84.65	377.31	-6.37	-91.02
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300025179299	0	39	-2.0	-91.69	359.47	-3.73	-95.42
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@]2(NC(=O)C3=COC(=O)N3)CCC[C@@H]12	REAL300025179626	0	43	-2.0	-86.14	376.03	-3.23	-89.37
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@]2(NC(=O)C3=COC(=O)[N-]3)CCC[C@@H]12	REAL300025179626	1	43	-2.0	-86.14	376.03	-3.23	-89.37
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@]2(NC(=O)C3=CC(=O)N[N-]3)CCC[C@@H]12	REAL300025179697	0	44	-2.0	-84.23	381.25	-2.10	-86.33
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@]2(NC(=O)C3=NC(=O)N[N-]3)CCC[C@@H]12	REAL300025179753	0	43	-2.0	-85.54	375.59	-3.37	-88.91
O=C(CSC1=NNC(=O)[N-]1)N[C@]12CCC[C@H]1N(C(=O)C1=COC(=O)N1)CC2	REAL300025180077	0	43	-2.0	-87.01	372.88	-2.19	-89.20
O=C(CSC1=NNC(=O)[N-]1)N[C@]12CCC[C@H]1N(C(=O)C1=COC(=O)[N-]1)CC2	REAL300025180077	1	43	-2.0	-87.01	372.88	-2.19	-89.20
O=C(CSC1=NNC(=O)[N-]1)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)N[N-]1)CC2	REAL300025180129	0	44	-2.0	-85.62	377.80	-1.95	-87.57
O=C(CSC1=NNC(=O)[N-]1)N[C@]12CCC[C@H]1N(C(=O)C1=NC(=O)N[N-]1)CC2	REAL300025180139	0	43	-2.0	-85.19	371.29	-3.00	-88.19
O=C(CSC1=NNC(=O)[N-]1)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300025180259	0	43	-2.0	-89.42	372.61	-1.92	-91.34
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300025180382	0	43	-2.0	-88.78	375.60	-1.58	-90.36
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@@H](NC(=O)C3=COC(=O)[N-]3)[C@H]1C2	REAL300025181509	1	40	-2.0	-89.81	363.20	-3.51	-93.32
CN1N=C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)[N-]C1=O	REAL300025181596	0	43	-2.0	-97.94	385.49	-2.35	-100.29
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@@H](NC(=O)C3=C[N-]N=CC3=O)[C@H]1C2	REAL300025181628	0	42	-2.0	-84.55	371.80	-0.33	-84.88
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)N[N-]3)[C@H]1C2	REAL300025181662	0	41	-2.0	-90.94	368.03	-2.52	-93.46
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@@H](NC(=O)C3=NC(=O)N[N-]3)[C@H]1C2	REAL300025181831	0	40	-2.0	-90.16	362.76	-3.85	-94.01
CN1[N-]C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)=CC1=O	REAL300025181918	0	44	-2.0	-93.74	390.78	-0.81	-94.55
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=NC=CC=C1[O-])C2	REAL300025182167	1	43	-2.0	-109.23	376.22	1.28	-107.95
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=COC(=O)[N-]1)C2	REAL300025182642	1	40	-2.0	-92.14	359.97	-2.74	-94.88
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=C[N-]N=CC1=O)C2	REAL300025182712	0	42	-2.0	-91.23	377.81	-0.73	-91.96
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)N[N-]1)C2	REAL300025182771	0	41	-2.0	-93.81	364.87	-2.40	-96.21
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=NC(=O)N[N-]1)C2	REAL300025182805	0	40	-2.0	-92.54	359.60	-3.29	-95.83
CN1N=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)[N-]C1=O	REAL300025183019	0	43	-2.0	-100.50	382.47	-2.23	-102.73
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=NC=C1[O-])C2	REAL300025183149	0	43	-2.0	-108.51	372.37	0.29	-108.22
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300025183152	0	40	-2.0	-96.22	359.90	-2.18	-98.40
CN1[N-]C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@H]2C3)=CC1=O	REAL300025183239	0	44	-2.0	-96.23	387.57	-0.71	-96.94
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC([O-])=CS1)C2	REAL300025183329	0	41	-2.0	-104.65	371.21	-0.40	-105.05
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300025183454	0	40	-2.0	-93.89	362.77	-2.03	-95.92
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC2C(NC(=O)C3=COC(=O)[N-]3)C21	REAL300025183798	1	43	-2.0	-85.70	372.40	-2.62	-88.32
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC2C(NC(=O)C3=CC(=O)N[N-]3)C21	REAL300025183880	0	44	-2.0	-84.79	377.23	-1.63	-86.42
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC2C(NC(=O)C3=NC(=O)N[N-]3)C21	REAL300025183951	0	43	-2.0	-84.26	366.05	-1.61	-85.87
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCCN(C(=O)C3=COC(=O)[N-]3)C21	REAL300025184284	1	43	-2.0	-91.77	363.83	0.62	-91.15
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCCN(C(=O)C3=CC(=O)N[N-]3)C21	REAL300025184336	0	44	-2.0	-98.61	368.69	0.31	-98.30
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCCN(C(=O)C3=NC(=O)N[N-]3)C21	REAL300025184346	0	43	-2.0	-85.99	370.25	-2.05	-88.04
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300025184466	0	43	-2.0	-90.80	370.38	-1.30	-92.10
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300025184596	0	43	-2.0	-88.78	371.98	-1.14	-89.92
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=COC(=O)[N-]2)C2(CCC2)C1	REAL300025185092	1	43	-2.0	-83.70	364.51	-0.87	-84.57
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)N[N-]2)C2(CCC2)C1	REAL300025185174	0	44	-2.0	-82.55	368.89	-0.90	-83.45
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=NC(=O)N[N-]2)C2(CCC2)C1	REAL300025185245	0	43	-2.0	-82.94	364.04	-1.58	-84.52
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=COC(=O)[N-]2)CC12CCC2	REAL300025185614	1	43	-2.0	-82.26	364.41	-0.83	-83.09
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)N[N-]2)CC12CCC2	REAL300025185668	0	44	-2.0	-82.24	369.27	-0.94	-83.18
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=NC(=O)N[N-]2)CC12CCC2	REAL300025185681	0	43	-2.0	-82.29	364.33	-1.60	-83.89
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300025185830	0	43	-2.0	-86.46	364.24	-0.96	-87.42
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300025185976	0	43	-2.0	-87.82	363.83	-0.90	-88.72
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300025187776	0	39	-2.0	-99.70	359.61	-5.31	-105.01
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)CN1C(=O)[N-]NC1=O)C2	REAL300025187826	0	41	-2.0	-103.05	376.96	-3.90	-106.95
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300025188192	0	41	-2.0	-101.97	378.55	0.46	-101.51
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300025188267	0	41	-2.0	-90.74	371.99	-4.69	-95.43
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=COC(=O)[N-]1)C2	REAL300025188278	1	37	-2.0	-89.18	343.03	-3.35	-92.53
CCN1[N-]C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025188387	0	44	-2.0	-96.90	392.70	-0.57	-97.47
CN1N=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025188415	0	40	-2.0	-100.21	365.38	-3.07	-103.28
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300025188469	0	39	-2.0	-94.47	361.54	-1.67	-96.14
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300025188532	0	38	-2.0	-93.03	347.71	-3.26	-96.29
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NC(=O)NN2)C1	REAL300025188537	0	43	-2.0	-98.85	387.09	-2.60	-101.45
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2C[C@]2(NC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300025188537	1	43	-2.0	-98.85	387.09	-2.60	-101.45
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300025188559	0	41	-2.0	-119.68	378.27	0.41	-119.27
CC1SC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300025188579	0	40	-2.0	-94.19	375.07	-2.56	-96.75
CC1=C([O-])N=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025188579	1	40	-2.0	-94.19	375.07	-2.56	-96.75
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300025188595	0	41	-2.0	-109.77	371.49	0.22	-109.55
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300025188619	0	41	-2.0	-102.85	370.79	0.47	-102.38
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)CC1=NC([O-])=CS1)C2	REAL300025188728	0	40	-2.0	-117.29	377.82	-3.55	-120.84
CC1=CC(=O)C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025188876	0	42	-2.0	-99.24	376.58	0.55	-98.69
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300025188886	0	37	-2.0	-90.22	342.63	-3.99	-94.21
CN1[N-]C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025189059	0	41	-2.0	-95.77	370.84	-1.51	-97.28
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=NC=CC=C2[O-])C1	REAL300025189309	1	40	-2.0	-107.38	363.33	-0.06	-107.44
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300025189402	0	39	-2.0	-98.34	363.48	-5.49	-103.83
O=C(CN1C(=O)[N-]NC1=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025189492	0	41	-2.0	-100.18	376.95	-3.83	-104.01
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=COC(=O)[N-]2)C1	REAL300025190336	1	37	-2.0	-92.85	346.39	-4.43	-97.28
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC=C([O-])C=C2F)C1	REAL300025190403	1	41	-2.0	-97.11	372.84	0.19	-96.92
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300025190406	0	40	-2.0	-93.29	371.48	-0.68	-93.97
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=C[N-]N=CC2=O)C1	REAL300025190466	0	39	-2.0	-86.25	355.77	-1.24	-87.49
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC=CC(F)=C2[O-])C1	REAL300025190473	0	41	-2.0	-112.86	372.32	1.71	-111.15
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC=CC([O-])=C2F)C1	REAL300025190531	1	41	-2.0	-109.68	372.64	0.17	-109.51
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)N[N-]2)C1	REAL300025190601	0	38	-2.0	-93.35	351.27	-3.43	-96.78
C[PH](C)([O-])C(=O)C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NC(=O)NN1)C2	REAL300025190606	0	43	-2.0	-96.27	384.57	-2.62	-98.89
C[PH](C)([O-])C(=O)C(=O)N[C@]12C[C@H]1CN(C(=O)CSC1=NC(=O)[N-]N1)C2	REAL300025190606	1	43	-2.0	-96.27	384.57	-2.62	-98.89
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300025190654	0	41	-2.0	-110.01	374.02	0.65	-109.36
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=NNC(=O)[N-]2)C1	REAL300025190670	0	37	-2.0	-97.05	346.41	-4.82	-101.87
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC=CN([O-])C2=O)C1	REAL300025190675	0	41	-2.0	-103.71	371.48	0.84	-102.87
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(F)=CC=C2O)C1	REAL300025190777	0	41	-2.0	-103.61	372.51	1.71	-101.90
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(F)=CC=C2[O-])C1	REAL300025190777	1	41	-2.0	-103.61	372.51	1.71	-101.90
CC1=CC=NC(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)=C1O	REAL300025190819	0	43	-2.0	-107.79	383.61	0.61	-107.18
CC1=CC=NC(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)=C1[O-]	REAL300025190819	1	43	-2.0	-107.79	383.61	0.61	-107.18
O=C(CC1=NC([O-])=CS1)N[C@]12C[C@H]1CN(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025190960	0	40	-2.0	-110.12	377.68	-3.52	-113.64
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=C(O)C=CC=C2F)C1	REAL300025190971	0	41	-2.0	-108.86	378.06	0.06	-108.80
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=C([O-])C=CC=C2F)C1	REAL300025190971	1	41	-2.0	-108.86	378.06	0.06	-108.80
CC1=CC(=O)C(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)=N[N-]1	REAL300025191059	0	42	-2.0	-97.97	380.64	0.37	-97.60
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300025191074	0	41	-2.0	-126.98	371.35	1.59	-125.39
CN1N=C(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)[N-]C1=O	REAL300025191118	0	40	-2.0	-100.60	368.95	-3.18	-103.78
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300025191237	1	41	-2.0	-106.23	374.21	0.16	-106.07
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300025191284	0	39	-2.0	-90.11	364.76	-5.71	-95.82
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300025191284	1	39	-2.0	-90.11	364.76	-5.71	-95.82
NC1=NC=C(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C(=O)N1	REAL300025191319	0	41	-2.0	-92.53	369.46	-2.55	-95.08
NC1=NC=C(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C(=O)[N-]1	REAL300025191319	1	41	-2.0	-92.53	369.46	-2.55	-95.08
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C(F)(F)C(F)F)C1	REAL300025191398	0	36	-2.0	-87.95	346.03	-1.14	-89.09
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2([N-]C(=O)C(F)(F)C(F)F)C1	REAL300025191398	1	36	-2.0	-87.95	346.03	-1.14	-89.09
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC=NC=C2O)C1	REAL300025191401	0	40	-2.0	-106.69	361.34	-0.17	-106.86
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC=NC=C2[O-])C1	REAL300025191401	1	40	-2.0	-106.69	361.34	-0.17	-106.86
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300025191406	0	37	-2.0	-97.16	345.90	-2.95	-100.11
CC1SC(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)=NC1=O	REAL300025191421	0	40	-2.0	-98.94	378.33	-3.29	-102.23
CC1=C([O-])N=C(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)S1	REAL300025191421	1	40	-2.0	-98.94	378.33	-3.29	-102.23
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300025191517	0	41	-2.0	-91.84	374.38	-4.26	-96.10
CCN1[N-]C(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)=CC1=O	REAL300025191558	0	44	-2.0	-96.93	395.94	-0.80	-97.73
CN1[N-]C(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)=CC1=O	REAL300025191574	0	41	-2.0	-96.23	374.09	-1.72	-97.95
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC=C(O)C(F)=C2)C1	REAL300025191656	0	41	-2.0	-98.60	374.18	0.20	-98.40
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300025191656	1	41	-2.0	-98.60	374.18	0.20	-98.40
CC1=CN=C(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C(O)=C1	REAL300025191717	0	43	-2.0	-109.21	385.04	0.60	-108.61
CC1=CN=C(C(=O)N[C@]23C[C@H]2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)C([O-])=C1	REAL300025191717	1	43	-2.0	-109.21	385.04	0.60	-108.61
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC([O-])=CS2)C1	REAL300025191730	0	38	-2.0	-102.61	360.50	-0.98	-103.59
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300025191741	0	41	-2.0	-109.67	373.97	0.65	-109.02
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300025191839	0	39	-2.0	-89.83	361.16	-5.67	-95.50
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300025191839	1	39	-2.0	-87.86	361.10	-4.91	-92.77
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300025191944	0	37	-2.0	-95.00	342.87	-3.10	-98.10
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=COC(=O)[N-]2)C1	REAL300025192686	1	43	-2.0	-87.86	389.74	-7.75	-95.61
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300025192752	0	44	-2.0	-88.12	394.84	-6.67	-94.79
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300025192809	0	43	-2.0	-87.93	389.16	-8.06	-95.99
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C2=COC(=O)[N-]2)C[C@H]1O	REAL300025193119	1	43	-2.0	-88.74	389.06	-7.72	-96.46
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)N[N-]2)C[C@H]1O	REAL300025193165	0	44	-2.0	-89.91	393.90	-6.73	-96.64
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C2=NC(=O)N[N-]2)C[C@H]1O	REAL300025193174	0	43	-2.0	-87.27	389.43	-7.95	-95.22
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300025193293	0	43	-2.0	-93.60	388.63	-6.24	-99.84
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C[C@H](CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025196593	1	44	-2.0	-90.62	397.00	-2.11	-92.73
C[C@H](CNC(=O)CCC1=NNC(=O)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197386	0	43	-2.0	-90.58	396.68	-7.15	-97.73
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C[C@H](CNC(=O)CCN1C=C[N-]C(=O)C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197524	1	44	-2.0	-97.19	402.42	-3.00	-100.19
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C[C@H](CNC(=O)C1=NNC(=O)[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197728	0	37	-2.0	-90.59	352.34	-7.28	-97.87
C[C@H](CNC(=O)CN1C(=O)[N-]NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025197838	0	39	-2.0	-91.35	366.47	-5.62	-96.97
C[C@H](CNC(=O)C1=C[N-]N=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199208	0	37	-2.0	-82.00	345.01	-3.06	-85.06
C[C@H](CNC(=O)C1=CC=C2N=NN([O-])C2=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199245	0	41	-2.0	-97.98	379.98	-2.65	-100.63
C[C@H](CNC(=O)C1=CC(=O)N[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199341	0	36	-2.0	-87.64	340.78	-5.23	-92.87
C[C@H](CNC(=O)C(=O)[PH](C)(C)[O-])NC(=O)CSC1=NC(=O)NN1	REAL300025199346	0	41	-2.0	-93.18	374.97	-4.19	-97.37
C[C@H](CNC(=O)C(=O)[PH](C)(C)[O-])NC(=O)CSC1=NC(=O)[N-]N1	REAL300025199346	1	41	-2.0	-93.18	374.97	-4.19	-97.37
C[C@H](CNC(=O)C1=CC=CN([O-])C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199392	0	39	-2.0	-105.19	361.01	-0.99	-106.18
CSC1=NC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300025199411	0	41	-2.0	-90.50	387.17	-3.19	-93.69
CSC1=NC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300025199411	1	41	-2.0	-90.50	387.17	-3.19	-93.69
C[C@H](CNC(=O)C1=NC(=O)C(C)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199435	0	38	-2.0	-99.06	367.32	-5.09	-104.15
CC1=C([O-])N=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025199435	1	38	-2.0	-99.06	367.32	-5.09	-104.15
C[C@H](CNC(=O)C1=CC(=O)C=C(Cl)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199452	0	38	-2.0	-84.30	370.93	-1.93	-86.23
C[C@H](CNC(=O)C1=CC(=O)C=C(Cl)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199452	1	38	-2.0	-84.30	370.93	-1.93	-86.23
C[C@H](CNC(=O)C1=CC(=O)N([O-])C=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199474	0	39	-2.0	-103.78	363.80	-1.16	-104.94
C[C@H](CNC(=O)C1=CC=CC(=O)N1[O-])NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199529	0	39	-2.0	-112.13	360.87	-0.14	-112.27
C[C@H](CNC(=O)CC1=C([O-])N=C(N)S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199696	0	40	-2.0	-103.55	382.13	-6.16	-109.71
C[C@H](CNC(=O)CC1=NC([O-])=CS1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199753	0	38	-2.0	-103.74	367.30	-5.30	-109.04
C[C@H](CNC(=O)C1=C(Cl)C(=O)[N-]S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025199865	0	35	-2.0	-88.91	358.35	-3.92	-92.83
COCC1=NC=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300025199966	1	44	-2.0	-89.79	398.85	-4.46	-94.25
CC1=CC(=O)C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025200064	0	40	-2.0	-90.19	369.50	-1.43	-91.62
C[C@H](CNC(=O)C1=NNC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200082	0	35	-2.0	-90.73	335.27	-6.68	-97.41
C[C@H](CNC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200106	1	40	-2.0	-90.08	377.97	-2.19	-92.27
C[C@H](CNC(=O)C1=CN=C(C=N[O-])S1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200236	0	38	-2.0	-100.64	376.17	-3.64	-104.28
COC1=NC(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)=CC(=O)[N-]1	REAL300025200256	0	41	-2.0	-90.39	381.51	-7.21	-97.60
C[C@H](CNC(=O)C1=CC(=O)N(C)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025200463	0	39	-2.0	-89.69	363.60	-3.52	-93.21
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC=CC=C1[O-]	REAL300025200719	1	38	-2.0	-96.55	352.84	-1.77	-98.32
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300025200831	1	44	-2.0	-99.40	402.43	-3.00	-102.40
CC(=O)[N-]C1=NC(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=CS1	REAL300025200842	1	41	-2.0	-84.62	390.91	-3.64	-88.26
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NNC(=O)[N-]C1=O	REAL300025200870	0	37	-2.0	-90.85	352.34	-7.28	-98.13
COC1=C(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)NC(=O)[N-]C1=O	REAL300025200919	1	42	-2.0	-92.71	385.92	-5.99	-98.70
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1C(=O)[N-]NC1=O	REAL300025201081	0	39	-2.0	-92.64	366.46	-5.61	-98.25
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300025202196	1	44	-2.0	-87.64	396.69	-2.02	-89.66
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1=NNC(=O)[N-]C1=O	REAL300025202988	0	43	-2.0	-91.03	396.68	-7.16	-98.19
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300025202998	0	41	-2.0	-92.75	383.73	0.15	-92.60
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(Cl)=CC=C1[O-]	REAL300025203012	1	39	-2.0	-94.01	372.33	0.46	-93.55
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([O-])=CC(C#N)=C1	REAL300025203042	1	40	-2.0	-86.70	378.62	-1.31	-88.01
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300025203124	0	41	-2.0	-102.10	381.61	1.18	-100.92
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=COC(=O)[N-]1	REAL300025203178	1	35	-2.0	-88.32	335.96	-6.18	-94.50
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC([O-])=C1[N+](=O)[O-]	REAL300025203251	0	41	-2.0	-102.37	384.77	0.16	-102.21
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C[N-]C(=O)C(F)(F)F	REAL300025203267	0	38	-2.0	-86.01	370.91	-5.33	-91.34
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=C([O-])N=C(N)S1	REAL300025203268	0	40	-2.0	-102.59	382.12	-6.17	-108.76
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(F)C=C([O-])C=C1F	REAL300025203279	0	39	-2.0	-86.11	374.04	-1.73	-87.84
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C=C1F	REAL300025203300	1	39	-2.0	-91.21	362.29	-1.58	-92.79
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([O-])=CC(=O)O1	REAL300025203308	0	38	-2.0	-89.10	361.10	-2.44	-91.54
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C#N)C([O-])=C1	REAL300025203318	1	40	-2.0	-94.27	377.92	-1.25	-95.52
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(Cl)=NC=C1[O-]	REAL300025203322	0	38	-2.0	-90.85	367.76	-1.45	-92.30
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(N)[N-]C(=O)C(C#N)=C1	REAL300025203329	0	41	-2.0	-88.31	382.26	-4.28	-92.59
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1N=CC(=O)[N-]C1=O	REAL300025203346	0	40	-2.0	-94.87	376.80	-6.73	-101.60
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CCC1=NNC(=O)[N-]1	REAL300025203430	0	41	-2.0	-91.27	376.80	-5.01	-96.28
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C[N-]N=CC1=O	REAL300025203452	0	37	-2.0	-79.63	345.01	-3.06	-82.69
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(F)=C1[O-]	REAL300025203464	0	39	-2.0	-101.56	361.83	-0.01	-101.57
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC([O-])=C1F	REAL300025203580	1	39	-2.0	-100.56	362.15	-1.61	-102.17
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300025203656	0	41	-2.0	-95.57	383.75	0.11	-95.46
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N[N-]1	REAL300025203722	0	36	-2.0	-86.78	340.78	-5.20	-91.98
C[C@H](CNC(=O)CSC1=NC(=O)NN1)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300025203730	0	41	-2.0	-91.76	374.96	-4.18	-95.94
C[C@H](CNC(=O)CSC1=NC(=O)[N-]N1)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300025203730	1	41	-2.0	-91.76	374.96	-4.18	-95.94
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COCC1=NC=C(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300025203793	1	44	-2.0	-86.77	398.78	-4.43	-91.20
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)N([O-])C=C1	REAL300025203851	0	39	-2.0	-104.49	363.79	-1.14	-105.63
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NC(=O)N[N-]1	REAL300025203885	0	35	-2.0	-87.88	335.38	-6.51	-94.39
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(O)C=CC=C1Cl	REAL300025203890	0	39	-2.0	-93.37	377.00	-1.35	-94.72
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C([O-])C=CC=C1Cl	REAL300025203890	1	39	-2.0	-93.37	377.00	-1.35	-94.72
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CN([O-])C1=O	REAL300025203897	0	39	-2.0	-100.10	360.95	-0.97	-101.07
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(F)C=CC(O)=C1F	REAL300025203929	0	39	-2.0	-93.95	373.88	-1.76	-95.71
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(F)C=CC([O-])=C1F	REAL300025203929	1	39	-2.0	-93.95	373.88	-1.76	-95.71
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(F)=CC=C1O	REAL300025204116	0	39	-2.0	-93.70	362.02	0.00	-93.70
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(F)=CC=C1[O-]	REAL300025204116	1	39	-2.0	-93.70	362.02	0.00	-93.70
CC1=CC=NC(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300025204202	1	41	-2.0	-96.40	373.16	-1.08	-97.48
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(=S)N1[O-]	REAL300025204375	0	39	-2.0	-118.09	371.97	0.89	-117.20
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C(Cl)=N1	REAL300025204525	0	38	-2.0	-85.24	371.15	-2.92	-88.16
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C=C1Cl	REAL300025204585	1	39	-2.0	-90.11	370.26	-1.13	-91.24
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300025204587	0	42	-2.0	-93.56	389.32	-1.78	-95.34
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1=NC([O-])=CS1	REAL300025204599	0	38	-2.0	-104.30	367.30	-5.30	-109.60
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C([O-])C=CC=C1F	REAL300025204620	1	39	-2.0	-93.86	367.51	-1.73	-95.59
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300025204623	0	41	-2.0	-93.49	382.57	-4.63	-98.12
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(F)C=C1[O-]	REAL300025204625	0	39	-2.0	-96.35	362.00	0.01	-96.34
CC1=CC=C(F)C([O-])=C1C(=O)N[C@H](C)CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025204671	0	42	-2.0	-100.43	386.95	-1.18	-101.61
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)CC1SC(=O)[N-]C1=O	REAL300025204757	0	39	-2.0	-87.42	374.57	-6.06	-93.48
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C(F)=C1F	REAL300025204787	0	39	-2.0	-93.11	368.38	-1.51	-94.62
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300025204790	1	40	-2.0	-78.34	377.25	-2.88	-81.22
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(Cl)=C1[O-]	REAL300025204796	0	39	-2.0	-96.46	371.63	0.46	-96.00
CC1=CC(=O)C(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025204832	0	40	-2.0	-89.31	369.50	-1.42	-90.73
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300025204837	0	44	-2.0	-99.89	399.29	-1.56	-101.45
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=CC(=O)N1[O-]	REAL300025204867	0	39	-2.0	-114.90	360.86	-0.14	-115.04
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C(C#N)[N-]C1=O	REAL300025204906	0	39	-2.0	-81.82	370.70	-3.17	-84.99
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300025204934	0	41	-2.0	-84.62	384.48	-0.35	-84.97
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=NN(C)C(=O)[N-]1	REAL300025204975	0	38	-2.0	-92.74	358.11	-5.01	-97.75
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300025205006	0	41	-2.0	-88.38	385.49	-3.81	-92.19
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(F)C=CC(O)=C1O	REAL300025205048	0	40	-2.0	-94.79	378.25	-3.66	-98.45
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300025205048	1	40	-2.0	-94.79	378.25	-3.66	-98.45
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(C#N)=CC=C1[O-]	REAL300025205058	0	40	-2.0	-91.59	376.44	0.36	-91.23
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300025206187	1	39	-2.0	-93.51	363.95	-1.59	-95.10
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300025206246	0	39	-2.0	-93.03	370.16	-1.51	-94.54
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC=NC(Cl)=C1[O-]	REAL300025206252	0	38	-2.0	-94.56	367.07	-1.42	-95.98
CC1=C(CC(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N(C)[N-]1	REAL300025206272	0	45	-2.0	-96.69	404.27	-2.17	-98.86
CC1=CN=C(C(=O)N[C@H](C)CNC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300025206317	1	41	-2.0	-97.92	374.28	-1.15	-99.07
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC([O-])=CS1	REAL300025206348	0	36	-2.0	-95.83	350.01	-2.74	-98.57
C[C@H](CNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CN([O-])C(=O)C=C1	REAL300025206369	0	39	-2.0	-103.52	363.42	-1.13	-104.65
CC1=C(C(=O)NC[C@@H](C)NC(=O)CSC2=NNC(=O)[N-]2)C(=S)[N-]C(=O)N1	REAL300025206398	1	41	-2.0	-101.59	392.10	-4.03	-105.62
C[C@H](CNC(=O)C1=NC(=O)[N-]C(=O)N1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206604	0	37	-2.0	-94.79	353.91	-8.28	-103.07
C[C@H](CNC(=O)C1=NC(=O)NC(=O)[N-]1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206604	1	37	-2.0	-86.43	354.56	-7.52	-93.95
C[C@H](CNC(=O)CN1[N-]C(=O)C=CC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206808	0	41	-2.0	-92.22	382.57	-4.63	-96.85
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206821	0	35	-2.0	-93.06	335.53	-4.74	-97.80
C[C@H](CNC(=O)C1=CN([O-])C(=O)NC1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206840	0	39	-2.0	-88.63	366.26	-3.51	-92.14
C[C@H](CNC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025206872	1	40	-2.0	-80.93	377.32	-2.89	-83.82
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CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300025210623	0	38	-2.0	-92.63	350.03	-4.99	-97.62
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300025210707	0	40	-2.0	-95.18	366.62	-3.47	-98.65
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300025211293	0	40	-2.0	-103.89	358.83	0.57	-103.32
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300025211407	0	40	-2.0	-86.62	359.91	-4.25	-90.87
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025211418	1	36	-2.0	-88.04	333.87	-3.61	-91.65
CCN1[N-]C(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025211587	0	43	-2.0	-90.95	383.31	-0.29	-91.24
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300025211609	0	40	-2.0	-123.56	368.09	2.72	-120.84
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300025211633	0	39	-2.0	-93.73	355.84	-1.94	-95.67
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025211721	0	38	-2.0	-90.57	342.06	-0.20	-90.77
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025211816	0	37	-2.0	-87.74	338.70	-3.03	-90.77
CN(C(=O)CSC1=NC(=O)NN1)C1CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300025211821	0	42	-2.0	-92.27	372.64	-1.19	-93.46
CN(C(=O)CSC1=NC(=O)[N-]N1)C1CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300025211821	1	42	-2.0	-92.27	372.64	-1.19	-93.46
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC2=NC(=O)NN2)C1	REAL300025211847	0	42	-2.0	-97.68	376.97	-3.28	-100.96
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300025211847	1	42	-2.0	-97.68	376.97	-3.28	-100.96
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300025211851	0	40	-2.0	-107.52	366.78	1.85	-105.67
CC1SC(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300025211879	0	39	-2.0	-92.68	364.83	-1.62	-94.30
CC1=C([O-])N=C(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025211879	1	39	-2.0	-92.68	364.83	-1.62	-94.30
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)C=C(Cl)N2)C1	REAL300025211892	0	39	-2.0	-84.33	368.44	0.50	-83.83
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300025211892	1	39	-2.0	-84.33	368.44	0.50	-83.83
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300025211909	0	40	-2.0	-104.34	359.80	0.65	-103.69
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300025211942	0	40	-2.0	-120.65	356.98	1.68	-118.97
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300025212063	0	41	-2.0	-109.13	382.26	-4.02	-113.15
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300025212107	0	39	-2.0	-105.99	367.57	-3.04	-109.03
CC1=CC(=O)C(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025212336	0	41	-2.0	-92.04	367.22	0.88	-91.16
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NNC(=O)[N-]2)C1	REAL300025212351	0	36	-2.0	-90.60	332.57	-3.47	-94.07
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300025212459	0	39	-2.0	-99.90	371.40	-0.74	-100.64
COC1=NC(C(=O)N2CC(N(C)C(=O)CSC3=NNC(=O)[N-]3)C2)=CC(=O)[N-]1	REAL300025212472	0	42	-2.0	-91.66	377.42	-3.87	-95.53
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300025212615	0	40	-2.0	-90.10	361.50	-1.22	-91.32
CN(C(=O)C1=NC=CC=C1[O-])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025212867	1	39	-2.0	-99.03	350.01	1.05	-97.98
CN(C(=O)C1=NNC(=O)[N-]C1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025212988	0	38	-2.0	-92.52	349.49	-4.90	-97.42
CN(C(=O)CN1C(=O)[N-]NC1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025213147	0	40	-2.0	-94.17	366.72	-3.42	-97.59
CN(C(=O)C1=CC(Cl)=CC=C1[O-])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214453	1	40	-2.0	-93.58	372.42	2.24	-91.34
CN(C(=O)C1=CC([O-])=CC(C#N)=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214478	1	41	-2.0	-90.46	376.80	0.55	-89.91
CN(C(=O)C1=COC(=O)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214577	1	36	-2.0	-84.59	333.62	-2.74	-87.33
CN(C(=O)C[N-]C(=O)C(F)(F)F)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214643	0	39	-2.0	-87.16	370.70	-2.37	-89.53
CN(C(=O)CC1=C([O-])N=C(N)S1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214644	0	41	-2.0	-105.72	382.38	-3.94	-109.66
CN(C(=O)C1=C(F)C=C([O-])C=C1F)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214653	0	40	-2.0	-84.82	374.42	0.36	-84.46
CN(C(=O)C1=CC=C([O-])C=C1F)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214666	1	40	-2.0	-91.37	358.71	1.02	-90.35
CN(C(=O)C1=CC([O-])=CC(=O)O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214672	0	39	-2.0	-90.97	357.89	0.61	-90.36
CN(C(=O)C1=CC=C(C#N)C([O-])=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214678	1	41	-2.0	-93.87	373.91	1.35	-92.52
CN(C(=O)C1=CC(Cl)=NC=C1[O-])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214681	0	39	-2.0	-92.66	367.90	-0.63	-93.29
CN(C(=O)CN1N=CC(=O)[N-]C1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214697	0	41	-2.0	-98.58	377.06	-4.55	-103.13
CN(C(=O)C1=C[N-]N=CC1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214775	0	38	-2.0	-87.90	350.95	-0.28	-88.18
CN(C(=O)C1=CC=CC(F)=C1[O-])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214784	0	40	-2.0	-104.84	362.36	0.90	-103.94
CN(C(=O)C1=CC=CC([O-])=C1F)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214870	1	40	-2.0	-102.03	362.60	0.14	-101.89
CN(C(=O)C1=CC(=O)N[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025214968	0	37	-2.0	-85.97	338.39	-2.82	-88.79
CN(C(=O)C(=O)[PH](C)(C)[O-])C1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025214974	0	42	-2.0	-91.62	372.00	-0.85	-92.47
CN(C(=O)C(=O)[PH](C)(C)[O-])C1CN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300025214974	1	42	-2.0	-91.62	372.00	-0.85	-92.47
CN(C(=O)C1=CC(=O)N([O-])C=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215060	0	40	-2.0	-103.21	359.96	1.47	-101.74
CN(C(=O)C1=NC(=O)N[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215084	0	36	-2.0	-84.78	333.18	-3.53	-88.31
CN(C(=O)C1=C(O)C=CC=C1Cl)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215086	0	40	-2.0	-92.89	377.37	0.73	-92.16
CN(C(=O)C1=C([O-])C=CC=C1Cl)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215086	1	40	-2.0	-92.89	377.37	0.73	-92.16
CN(C(=O)C1=CC=CN([O-])C1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215090	0	40	-2.0	-106.68	363.42	1.66	-105.02
CN(C(=O)C1=C(F)C=CC(O)=C1F)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215119	0	40	-2.0	-91.24	374.25	0.32	-90.92
CN(C(=O)C1=C(F)C=CC([O-])=C1F)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215119	1	40	-2.0	-91.24	374.25	0.32	-90.92
CN(C(=O)C1=NC(N)=CC(=O)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215202	0	40	-2.0	-95.63	362.25	-2.93	-98.56
CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215249	0	40	-2.0	-90.43	369.72	1.51	-88.92
CN(C(=O)C1=CC(F)=CC=C1[O-])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215254	1	40	-2.0	-93.32	362.10	1.78	-91.54
CC1=CC=NC(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300025215317	1	42	-2.0	-98.98	370.23	1.64	-97.34
CN(C(=O)C1=CC=CC(=S)N1[O-])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215431	0	40	-2.0	-114.25	379.18	1.22	-113.03
CN(C(=O)C1=CC=C([O-])C(Cl)=N1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215535	0	39	-2.0	-82.08	368.37	-0.11	-82.19
CN(C(=O)C1=CC=C([O-])C=C1Cl)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215572	1	40	-2.0	-90.78	366.83	1.45	-89.33
CN(C(=O)CC1=NC([O-])=CS1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215583	0	39	-2.0	-103.23	367.03	-2.29	-105.52
CN(C(=O)C1=C([O-])C=CC=C1F)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215598	0	40	-2.0	-94.06	367.89	0.36	-93.70
CN(C(=O)CN1[N-]C(=O)C=CC1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215600	0	42	-2.0	-94.91	382.83	-2.45	-97.36
CN(C(=O)C1=CC=C(F)C=C1[O-])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215601	0	40	-2.0	-95.52	358.44	2.51	-93.01
CC1=CC=C(F)C([O-])=C1C(=O)N(C)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215631	0	43	-2.0	-98.90	387.45	1.01	-97.89
CN(C(=O)C1=CC=C([O-])C(F)=C1F)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215717	0	40	-2.0	-93.06	368.10	1.27	-91.79
CN(C(=O)C1=CC=CC(Cl)=C1[O-])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215723	0	40	-2.0	-99.36	372.17	1.37	-97.99
CC1=CC(=O)C(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025215751	0	41	-2.0	-89.67	366.66	0.96	-88.71
CN(C(=O)C1=CC=CC(=O)N1[O-])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215776	0	40	-2.0	-110.45	368.07	0.59	-109.86
CN(C(=O)C1=CC=C(C#N)[N-]C1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215800	0	40	-2.0	-90.11	377.74	-1.39	-91.50
CN(C(=O)C1=NN(C)C(=O)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215844	0	39	-2.0	-92.83	355.30	-2.63	-95.46
CN(C(=O)C1=C(F)C=CC(O)=C1O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215891	0	41	-2.0	-95.27	378.63	-1.58	-96.85
CN(C(=O)C1=C(F)C=CC(O)=C1[O-])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215891	1	41	-2.0	-95.27	378.63	-1.58	-96.85
CN(C(=O)C1=CC(C#N)=CC=C1[O-])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215900	0	41	-2.0	-91.02	376.55	2.14	-88.88
CN(C(=O)C1=CN([O-])C(=O)NC1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025215982	0	40	-2.0	-93.26	372.36	-0.77	-94.03
CN(C(=O)C1=CC=C(F)C(O)=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216033	0	40	-2.0	-97.99	359.96	0.98	-97.01
CN(C(=O)C1=CC=C(F)C([O-])=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216033	1	40	-2.0	-97.99	359.96	0.98	-97.01
CN(C(=O)C1=CC=C(Cl)C=C1O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216051	0	40	-2.0	-95.39	368.76	2.96	-92.43
CN(C(=O)C1=CC=C(Cl)C=C1[O-])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216051	1	40	-2.0	-95.39	368.76	2.96	-92.43
CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216116	0	38	-2.0	-87.43	351.19	-5.01	-92.44
CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216116	1	38	-2.0	-87.39	350.93	-3.46	-90.85
CN(C(=O)C1=CN=C(N)[N-]C1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216170	1	40	-2.0	-94.19	366.19	-2.56	-96.75
CN(C(=O)C1=CC=C(F)C([O-])=C1F)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216203	0	40	-2.0	-99.78	368.05	1.25	-98.53
COC1=NC(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC(=O)[N-]1	REAL300025216245	0	42	-2.0	-91.46	375.67	-3.26	-94.72
CN(C(=O)C1=NC=CC(Cl)=C1[O-])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216254	0	39	-2.0	-95.65	366.11	1.47	-94.18
CN(C(=O)C1=CC=C(Cl)C([O-])=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216292	0	40	-2.0	-93.93	369.78	1.47	-92.46
CN(C(=O)C1=CC=NC=C1[O-])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216300	0	39	-2.0	-100.65	347.58	-0.26	-100.91
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216306	0	36	-2.0	-90.24	332.94	-2.61	-92.85
CC1=C([O-])N=C(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025216328	1	39	-2.0	-90.31	365.14	-2.07	-92.38
CN(C(=O)C(=O)C1=CC=C([O-])C=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216419	1	42	-2.0	-88.72	384.57	0.24	-88.48
CN(C(=O)C1=CN=C(C=N[O-])S1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216436	0	39	-2.0	-102.08	370.85	-1.07	-103.15
CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216456	1	39	-2.0	-82.45	367.91	0.80	-81.65
CN(C(=O)C1=CC(=O)NC([O-])=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216476	0	40	-2.0	-85.98	360.44	-4.32	-90.30
CCN1[N-]C(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025216532	0	43	-2.0	-89.36	382.95	-0.19	-89.55
CN(C(=O)C1=CC(=O)N(C)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216550	0	40	-2.0	-88.65	361.23	-1.12	-89.77
CN(C(=O)C1=CC=C([O-])C(F)=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216686	1	40	-2.0	-94.27	359.93	1.01	-93.26
CN(C(=O)C1=CC(F)=C([O-])C(F)=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216729	0	40	-2.0	-92.26	366.48	0.19	-92.07
CN(C(=O)C1=CC=NC(Cl)=C1[O-])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216734	0	39	-2.0	-97.26	367.22	-0.60	-97.86
CC1=C(CC(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N(C)[N-]1	REAL300025216749	0	46	-2.0	-97.88	404.54	0.06	-97.82
CC1=CN=C(C(=O)N(C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300025216784	1	42	-2.0	-100.73	371.36	1.60	-99.13
CN(C(=O)C1=CC([O-])=CS1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216804	0	37	-2.0	-98.09	344.29	-0.09	-98.18
CN(C(=O)C1=CN([O-])C(=O)C=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025216820	0	40	-2.0	-105.01	368.01	1.70	-103.31
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300025216982	0	38	-2.0	-89.85	351.57	-5.67	-95.52
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300025216982	1	38	-2.0	-84.48	352.17	-4.89	-89.37
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300025217120	0	42	-2.0	-95.37	382.83	-2.40	-97.77
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025217127	0	36	-2.0	-91.45	333.72	-2.69	-94.14
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300025217138	0	40	-2.0	-92.29	372.63	-1.74	-94.03
CC(CNC(=O)C1=NNC(=O)[N-]C1=O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218306	0	43	-2.0	-93.01	384.92	-4.83	-97.84
CC(CNC(=O)C1=CN([O-])C(=O)C=C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218681	0	45	-2.0	-103.56	395.67	1.32	-102.24
CC(CNC(=O)C1=CC(=O)NC([O-])=C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218750	0	45	-2.0	-87.04	395.86	-3.59	-90.63
CC(CNC(=O)C1=COC(=O)[N-]1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218760	1	41	-2.0	-88.86	367.94	-3.75	-92.61
CCN1[N-]C(C(=O)NCC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025218863	0	48	-2.0	-90.95	417.30	-0.12	-91.07
CC(CNC(=O)C1=NN(C)C(=O)[N-]1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218887	0	44	-2.0	-93.60	390.28	-2.54	-96.14
CC(CNC(=O)C1=C[N-]N=CC1=O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218934	0	43	-2.0	-81.69	376.98	-0.60	-82.29
CC(CNC(=O)C1=CC(=O)N[N-]1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025218988	0	42	-2.0	-87.66	372.76	-2.76	-90.42
CC(CNC(=O)C(=O)[PH](C)(C)[O-])CN(C)C(=O)CSC1=NC(=O)NN1	REAL300025218993	0	47	-2.0	-90.78	407.21	-1.73	-92.51
CC(CNC(=O)C(=O)[PH](C)(C)[O-])CN(C)C(=O)CSC1=NC(=O)[N-]N1	REAL300025218993	1	47	-2.0	-90.78	407.21	-1.73	-92.51
CC(CNC(=O)C1=CC=CN([O-])C1=O)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219013	0	45	-2.0	-101.70	392.99	1.47	-100.23
CC(CNC(=O)C1=CC(=O)N([O-])C=C1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219041	0	45	-2.0	-104.14	396.04	1.32	-102.82
CC(CNC(=O)C1=CC=CC(=O)N1[O-])CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219061	0	45	-2.0	-117.38	393.11	2.32	-115.06
CC1=CC(=O)C(C(=O)NCC(C)CN(C)C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025219288	0	46	-2.0	-93.39	402.09	1.04	-92.35
CC(CNC(=O)C1=NNC(=O)[N-]1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219297	0	41	-2.0	-90.90	367.52	-4.21	-95.11
CC(CNC(=O)C1=CC(=O)N(C)[N-]1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025219454	0	45	-2.0	-90.22	395.57	-1.05	-91.27
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=NC=CC=C1[O-]	REAL300025219704	1	44	-2.0	-100.42	382.39	1.17	-99.25
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=NNC(=O)[N-]C1=O	REAL300025219793	0	43	-2.0	-93.72	381.63	-4.69	-98.41
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=COC(=O)[N-]1	REAL300025220614	1	41	-2.0	-85.83	365.68	-2.44	-88.27
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CC=C([O-])C=C1F	REAL300025220673	1	45	-2.0	-92.59	390.39	0.44	-92.15
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CC([O-])=CC(=O)O1	REAL300025220676	0	44	-2.0	-88.35	390.37	-0.13	-88.48
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=C[N-]N=CC1=O	REAL300025220729	0	43	-2.0	-87.00	384.78	-1.02	-88.02
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CC=CC(F)=C1[O-]	REAL300025220736	0	45	-2.0	-104.87	393.56	1.28	-103.59
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CC=CC([O-])=C1F	REAL300025220786	1	45	-2.0	-102.38	393.80	0.43	-101.95
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CC(=O)N[N-]1	REAL300025220846	0	42	-2.0	-87.61	370.12	-2.50	-90.11
CC(CNC(=O)CSC1=NC(=O)NN1)CN(C)C(=O)C(=O)[PH](C)(C)[O-]	REAL300025220851	0	47	-2.0	-92.02	404.64	-1.82	-93.84
CC(CNC(=O)CSC1=NC(=O)[N-]N1)CN(C)C(=O)C(=O)[PH](C)(C)[O-]	REAL300025220851	1	47	-2.0	-92.02	404.64	-1.82	-93.84
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CC(=O)N([O-])C=C1	REAL300025220896	0	45	-2.0	-106.40	392.68	0.88	-105.52
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=NC(=O)N[N-]1	REAL300025220910	0	41	-2.0	-86.41	364.92	-3.20	-89.61
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CC=CN([O-])C1=O	REAL300025220913	0	45	-2.0	-113.00	400.65	1.09	-111.91
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CC(F)=CC=C1O	REAL300025221006	0	45	-2.0	-97.34	395.17	1.24	-96.10
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CC(F)=CC=C1[O-]	REAL300025221006	1	45	-2.0	-97.34	395.17	1.24	-96.10
CC1=CC=NC(C(=O)N(C)CC(C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300025221046	0	47	-2.0	-101.68	403.07	1.93	-99.75
CC1=CC=NC(C(=O)N(C)CC(C)CNC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300025221046	1	47	-2.0	-101.68	403.07	1.93	-99.75
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=C([O-])C=CC=C1F	REAL300025221178	1	45	-2.0	-95.88	400.31	0.63	-95.25
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CC=C(F)C=C1[O-]	REAL300025221179	0	45	-2.0	-101.47	390.12	1.84	-99.63
CC1=CC(=O)C(C(=O)N(C)CC(C)CNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025221260	0	46	-2.0	-91.27	399.13	1.19	-90.08
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CC=CC(=O)N1[O-]	REAL300025221274	0	45	-2.0	-109.81	399.82	0.85	-108.96
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=NN(C)C(=O)[N-]1	REAL300025221315	0	44	-2.0	-95.48	388.62	-2.37	-97.85
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CC=C(F)C([O-])=C1	REAL300025221422	1	45	-2.0	-90.13	392.44	0.38	-89.75
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025221464	0	43	-2.0	-88.24	382.18	-3.55	-91.79
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025221464	1	43	-2.0	-88.24	382.18	-3.55	-91.79
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CN=C(N)NC1=O	REAL300025221496	0	45	-2.0	-96.75	398.81	-2.35	-99.10
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CN=C(N)[N-]C1=O	REAL300025221496	1	45	-2.0	-96.75	398.81	-2.35	-99.10
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300025221569	0	41	-2.0	-92.19	365.51	-2.42	-94.61
CCN1[N-]C(C(=O)N(C)CC(C)CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025221703	0	48	-2.0	-91.80	415.08	0.13	-91.67
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CC(=O)N(C)[N-]1	REAL300025221718	0	45	-2.0	-90.94	393.35	-0.80	-91.74
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CC=C(O)C(F)=C1	REAL300025221796	0	45	-2.0	-92.13	392.40	0.41	-91.72
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CC=C([O-])C(F)=C1	REAL300025221796	1	45	-2.0	-92.13	392.40	0.41	-91.72
CC1=CN=C(C(=O)N(C)CC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1	REAL300025221847	0	47	-2.0	-103.70	404.46	1.88	-101.82
CC1=CN=C(C(=O)N(C)CC(C)CNC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300025221847	1	47	-2.0	-103.70	404.46	1.88	-101.82
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CC([O-])=CS1	REAL300025221858	0	42	-2.0	-100.83	376.94	-0.79	-101.62
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CN([O-])C(=O)C=C1	REAL300025221869	0	45	-2.0	-99.76	400.46	1.10	-98.66
CC(CNC(=O)C1=NC(=O)[N-]C(=O)N1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025221960	0	43	-2.0	-92.34	386.49	-5.82	-98.16
CC(CNC(=O)C1=NC(=O)NC(=O)[N-]1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025221960	1	43	-2.0	-84.93	386.80	-5.04	-89.97
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025222048	0	41	-2.0	-91.74	367.50	-2.27	-94.01
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C1=COC(=O)[N-]1	REAL300025222396	1	45	-2.0	-88.42	382.76	-0.16	-88.58
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C1=CC(=O)N[N-]1	REAL300025222474	0	46	-2.0	-92.34	387.61	-0.21	-92.55
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C1=NC(=O)N[N-]1	REAL300025222542	0	45	-2.0	-86.17	383.95	-0.96	-87.13
CN(CC1CCN(C(=O)C2=COC(=O)[N-]2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025222898	1	45	-2.0	-86.70	383.08	-0.20	-86.90
CN(CC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025222950	0	46	-2.0	-87.03	388.28	-0.27	-87.30
CN(CC1CCN(C(=O)C2=NC(=O)N[N-]2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025222960	0	45	-2.0	-86.16	382.83	-0.92	-87.08
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025223105	0	45	-2.0	-95.38	383.02	-0.23	-95.61
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300025223244	0	45	-2.0	-97.02	383.52	-0.17	-97.19
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1	REAL300025224414	0	41	-2.0	-88.62	357.85	-2.91	-91.53
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)CN2C(=O)[N-]NC2=O)CC1	REAL300025224462	0	43	-2.0	-91.37	377.62	-1.65	-93.02
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1	REAL300025224802	0	43	-2.0	-117.43	365.21	2.00	-115.43
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1	REAL300025224877	0	43	-2.0	-84.20	366.62	-2.56	-86.76
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300025224888	1	39	-2.0	-85.22	341.79	-0.42	-85.64
CCN1[N-]C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300025224993	0	46	-2.0	-87.24	391.16	1.80	-85.44
CN1N=C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)[N-]C1=O	REAL300025225019	0	42	-2.0	-108.36	361.58	-1.09	-109.45
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300025225071	0	41	-2.0	-82.99	361.22	0.51	-82.48
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300025225129	0	40	-2.0	-100.01	344.01	-1.22	-101.23
C[PH](C)([O-])C(=O)C(=O)N1CCCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025225134	0	45	-2.0	-89.27	385.12	-0.28	-89.55
C[PH](C)([O-])C(=O)C(=O)N1CCCN(C(=O)CSC2=NC(=O)[N-]N2)CC1	REAL300025225134	1	45	-2.0	-89.27	385.12	-0.28	-89.55
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC=CN([O-])C2=O)CC1	REAL300025225154	0	43	-2.0	-106.10	377.70	2.63	-103.47
CC1=C([O-])N=C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)S1	REAL300025225173	1	42	-2.0	-105.84	371.11	0.01	-105.83
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1	REAL300025225187	0	43	-2.0	-99.22	378.47	2.71	-96.51
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC=CC(=O)N2[O-])CC1	REAL300025225208	0	43	-2.0	-129.34	363.86	2.85	-126.49
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)CC2=NC([O-])=CS2)CC1	REAL300025225309	0	42	-2.0	-104.92	378.45	-1.28	-106.20
CC1=CC(=O)C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=N[N-]1	REAL300025225447	0	44	-2.0	-103.33	372.62	2.64	-100.69
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300025225457	0	39	-2.0	-99.27	340.19	-1.60	-100.87
CN1[N-]C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300025225623	0	43	-2.0	-102.99	366.79	0.48	-102.51
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300025225873	1	42	-2.0	-95.37	358.28	3.09	-92.28
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1	REAL300025225962	0	41	-2.0	-88.62	357.85	-2.91	-91.53
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)CN2C(=O)[N-]NC2=O)CC1	REAL300025226048	0	43	-2.0	-91.37	377.62	-1.65	-93.02
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300025226832	1	39	-2.0	-85.22	341.79	-0.42	-85.64
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC=C([O-])C=C2F)CC1	REAL300025226894	1	43	-2.0	-107.10	363.87	1.54	-105.56
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1	REAL300025226897	0	42	-2.0	-86.23	366.62	1.39	-84.84
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300025226954	0	41	-2.0	-82.99	361.22	0.51	-82.48
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC=CC(F)=C2[O-])CC1	REAL300025226961	0	43	-2.0	-117.28	364.32	2.90	-114.38
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC=CC([O-])=C2F)CC1	REAL300025227016	1	43	-2.0	-115.30	364.62	1.52	-113.78
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300025227080	0	40	-2.0	-100.01	344.01	-1.22	-101.23
C[PH](C)([O-])C(=O)C(=O)N1CCCN(C(=O)CSC2=NC(=O)NN2)CC1	REAL300025227085	0	45	-2.0	-89.27	385.12	-0.28	-89.55
C[PH](C)([O-])C(=O)C(=O)N1CCCN(C(=O)CSC2=NC(=O)[N-]N2)CC1	REAL300025227085	1	45	-2.0	-89.27	385.12	-0.28	-89.55
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1	REAL300025227130	0	43	-2.0	-99.22	378.47	2.71	-96.51
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300025227144	0	39	-2.0	-99.27	340.19	-1.60	-100.87
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC=CN([O-])C2=O)CC1	REAL300025227148	0	43	-2.0	-106.10	377.70	2.63	-103.47
NC1=CC(=O)[N-]C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=N1	REAL300025227220	0	43	-2.0	-111.85	368.88	-1.30	-113.15
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300025227244	1	43	-2.0	-92.61	365.13	3.38	-89.23
CC1=CC=NC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=C1[O-]	REAL300025227285	1	45	-2.0	-95.19	378.53	3.77	-91.42
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)CC2=NC([O-])=CS2)CC1	REAL300025227418	0	42	-2.0	-104.92	378.45	-1.28	-106.20
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=C([O-])C=CC=C2F)CC1	REAL300025227428	0	43	-2.0	-114.67	376.20	1.92	-112.75
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC=C(F)C=C2[O-])CC1	REAL300025227429	0	43	-2.0	-113.24	363.60	3.00	-110.24
CC1=CC(=O)C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=N[N-]1	REAL300025227513	0	44	-2.0	-103.33	372.62	2.64	-100.69
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC=CC(=O)N2[O-])CC1	REAL300025227528	0	43	-2.0	-129.34	363.86	2.85	-126.49
CN1N=C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)[N-]C1=O	REAL300025227570	0	42	-2.0	-108.36	361.58	-1.09	-109.45
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1	REAL300025227683	1	43	-2.0	-96.41	368.29	1.86	-94.55
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1	REAL300025227728	0	41	-2.0	-81.61	359.92	-2.04	-83.65
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1	REAL300025227728	1	41	-2.0	-81.61	359.92	-2.04	-83.65
NC1=NC=C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C(=O)N1	REAL300025227762	0	43	-2.0	-90.78	375.67	-0.83	-91.61
NC1=NC=C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C(=O)[N-]1	REAL300025227762	1	43	-2.0	-90.78	375.67	-0.83	-91.61
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300025227842	0	39	-2.0	-88.76	341.91	-0.89	-89.65
CC1SC(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=NC1=O	REAL300025227857	0	42	-2.0	-105.84	371.11	0.01	-105.83
CC1=C([O-])N=C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)S1	REAL300025227857	1	42	-2.0	-105.84	371.11	0.01	-105.83
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1	REAL300025227948	0	43	-2.0	-84.20	366.62	-2.56	-86.76
CCN1[N-]C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300025227986	0	46	-2.0	-87.24	391.16	1.80	-85.44
CN1[N-]C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)=CC1=O	REAL300025228002	0	43	-2.0	-102.99	366.79	0.48	-102.51
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC=C(O)C(F)=C2)CC1	REAL300025228082	0	43	-2.0	-90.54	368.26	1.89	-88.65
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300025228082	1	43	-2.0	-90.54	368.26	1.89	-88.65
CC1=CN=C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C(O)=C1	REAL300025228137	0	45	-2.0	-112.74	377.27	3.46	-109.28
CC1=CN=C(C(=O)N2CCCN(C(=O)CSC3=NNC(=O)[N-]3)CC2)C([O-])=C1	REAL300025228137	1	45	-2.0	-112.74	377.27	3.46	-109.28
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC([O-])=CS2)CC1	REAL300025228149	0	40	-2.0	-95.27	351.58	0.53	-94.74
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1	REAL300025228160	0	43	-2.0	-117.43	365.21	2.00	-115.43
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1	REAL300025228254	0	41	-2.0	-81.61	359.92	-2.04	-83.65
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1	REAL300025228254	1	41	-2.0	-81.61	359.92	-2.04	-83.65
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300025228353	0	39	-2.0	-88.76	341.91	-0.89	-89.65
CC1(NC(=O)C2=NNC(=O)[N-]C2=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229386	0	38	-2.0	-93.61	356.44	-6.35	-99.96
CC1(NC(=O)CN2C(=O)[N-]NC2=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229455	0	40	-2.0	-93.85	370.56	-4.60	-98.45
CC1(NC(=O)C2=CN([O-])C(=O)C=C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025229944	0	40	-2.0	-105.20	367.52	-0.13	-105.33
CC1(NC(=O)C2=CC(=O)NC([O-])=C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230039	0	40	-2.0	-89.62	367.77	-5.03	-94.65
CC1(NC(=O)C2=COC(=O)[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230050	1	36	-2.0	-92.50	340.05	-5.19	-97.69
CCN1[N-]C(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025230197	0	43	-2.0	-93.53	389.43	-1.55	-95.08
CC1(NC(=O)C2=CC=CC(=S)N2[O-])CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230215	0	40	-2.0	-119.69	376.09	1.81	-117.88
CN1N=C(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025230236	0	39	-2.0	-96.45	362.15	-3.99	-100.44
CC1(NC(=O)C2=C[N-]N=CC2=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230314	0	38	-2.0	-84.38	349.10	-2.05	-86.43
CC1(NC(=O)C2=CC(=O)N[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230396	0	37	-2.0	-90.38	344.88	-4.20	-94.58
CC1(NC(=O)C(=O)[PH](C)(C)[O-])CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025230400	0	42	-2.0	-92.51	378.96	-3.19	-95.70
CC1(NC(=O)C(=O)[PH](C)(C)[O-])CN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300025230400	1	42	-2.0	-92.51	378.96	-3.19	-95.70
CC1(NC(=O)C2=CC=CN([O-])C2=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230429	0	40	-2.0	-105.56	365.38	0.03	-105.53
CC1SC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300025230454	0	39	-2.0	-99.60	371.65	-4.09	-103.69
CC1=C([O-])N=C(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025230454	1	39	-2.0	-99.60	371.65	-4.09	-103.69
CC1(NC(=O)C2=CC(=O)C=C(Cl)N2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230465	0	39	-2.0	-87.12	375.04	-0.91	-88.03
CC1(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230465	1	39	-2.0	-87.12	375.04	-0.91	-88.03
CC1(NC(=O)C2=CC(=O)N([O-])C=C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230477	0	40	-2.0	-106.21	367.89	-0.13	-106.34
CC1(NC(=O)C2=CC=CC(=O)N2[O-])CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230506	0	40	-2.0	-116.80	364.98	0.77	-116.03
CC1(NC(=O)CC2=C([O-])N=C(N)S2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230608	0	41	-2.0	-111.25	385.90	-5.23	-116.48
CC1(NC(=O)CC2=NC([O-])=CS2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230645	0	39	-2.0	-109.40	371.09	-4.36	-113.76
CC1=CC(=O)C(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025230844	0	41	-2.0	-93.14	373.33	-0.57	-93.71
CC1(NC(=O)C2=NNC(=O)[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230857	0	36	-2.0	-93.74	339.39	-5.66	-99.40
CC1(NC(=O)C2=CN=C(C=N[O-])S2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025230943	0	39	-2.0	-101.90	380.27	-2.61	-104.51
CN1[N-]C(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025231080	0	40	-2.0	-92.80	367.62	-2.49	-95.29
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025231332	1	39	-2.0	-100.96	354.02	-0.67	-101.63
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300025231453	0	38	-2.0	-94.48	353.64	-6.22	-100.70
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300025231612	0	40	-2.0	-95.21	370.35	-4.62	-99.83
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300025232918	1	40	-2.0	-99.05	374.17	0.97	-98.08
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300025232943	1	41	-2.0	-91.13	377.80	-0.85	-91.98
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025233042	1	36	-2.0	-93.92	337.52	-4.71	-98.63
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300025233108	0	39	-2.0	-89.78	374.65	-4.41	-94.19
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300025233109	0	41	-2.0	-110.79	386.23	-5.16	-115.95
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300025233118	0	40	-2.0	-90.11	377.92	-0.73	-90.84
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300025233131	1	40	-2.0	-94.92	365.11	-1.01	-95.93
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300025233137	0	39	-2.0	-93.48	362.38	-1.61	-95.09
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300025233143	1	41	-2.0	-96.81	377.13	-0.72	-97.53
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300025233146	0	39	-2.0	-94.86	367.32	-0.87	-95.73
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300025233162	0	41	-2.0	-100.11	380.93	-5.75	-105.86
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025233240	0	38	-2.0	-91.93	345.15	-1.51	-93.44
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300025233249	0	40	-2.0	-106.79	364.86	0.31	-106.48
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300025233335	1	40	-2.0	-105.45	365.12	-1.09	-106.54
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025233433	0	37	-2.0	-91.38	342.36	-4.16	-95.54
CC1(NC(=O)CSC2=NC(=O)NN2)CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300025233439	0	42	-2.0	-97.67	376.76	-3.27	-100.94
CC1(NC(=O)CSC2=NC(=O)[N-]N2)CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300025233439	1	42	-2.0	-97.67	376.76	-3.27	-100.94
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300025233525	0	40	-2.0	-106.57	362.94	-0.57	-107.14
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025233549	0	36	-2.0	-93.52	337.11	-5.17	-98.69
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C(O)C=CC=C2Cl)C1	REAL300025233551	0	40	-2.0	-94.56	380.88	-0.34	-94.90
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300025233551	1	40	-2.0	-94.56	380.88	-0.34	-94.90
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300025233555	0	40	-2.0	-119.03	371.30	-0.28	-119.31
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300025233584	0	40	-2.0	-100.16	377.74	-0.75	-100.91
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300025233584	1	40	-2.0	-100.16	377.74	-0.75	-100.91
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300025233719	0	40	-2.0	-98.47	363.85	0.52	-97.95
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300025233719	1	40	-2.0	-98.47	363.85	0.52	-97.95
CC1=CC=NC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300025233782	0	42	-2.0	-100.88	374.36	0.12	-100.76
CC1=CC=NC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300025233782	1	42	-2.0	-100.88	374.36	0.12	-100.76
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300025233896	0	40	-2.0	-120.24	371.23	1.41	-118.83
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300025234000	0	39	-2.0	-89.59	372.34	-1.77	-91.36
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C(O)C=C2Cl)C1	REAL300025234037	0	40	-2.0	-93.87	373.67	-0.56	-94.43
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300025234037	1	40	-2.0	-93.87	373.67	-0.56	-94.43
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300025234048	0	39	-2.0	-108.23	371.42	-4.28	-112.51
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300025234065	0	42	-2.0	-94.64	386.36	-3.71	-98.35
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300025234182	0	40	-2.0	-96.70	370.39	-1.02	-97.72
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300025234188	0	40	-2.0	-101.58	374.66	0.78	-100.80
CC1=CC(=O)C(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025234216	0	41	-2.0	-94.43	370.76	-0.45	-94.88
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300025234241	0	40	-2.0	-118.26	360.12	0.36	-117.90
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300025234265	0	40	-2.0	-97.17	381.00	-2.57	-99.74
CN1N=C(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025234309	0	39	-2.0	-97.50	359.75	-3.95	-101.45
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300025234356	0	41	-2.0	-96.51	381.99	-2.74	-99.25
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300025234356	1	41	-2.0	-96.51	381.99	-2.74	-99.25
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300025234365	0	41	-2.0	-95.40	378.59	0.73	-94.67
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300025234447	0	40	-2.0	-94.94	376.40	-2.88	-97.82
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300025234498	0	40	-2.0	-101.19	363.20	-1.09	-102.28
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300025234498	1	40	-2.0	-101.19	363.20	-1.09	-102.28
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C(Cl)C=C2O)C1	REAL300025234516	0	40	-2.0	-100.85	375.21	0.83	-100.02
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300025234516	1	40	-2.0	-100.85	375.21	0.83	-100.02
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300025234581	0	38	-2.0	-96.97	355.15	-7.02	-103.99
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300025234581	1	38	-2.0	-89.64	355.77	-6.11	-95.75
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300025234635	1	40	-2.0	-101.17	369.44	-3.73	-104.90
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300025234668	0	40	-2.0	-104.82	370.34	-1.05	-105.87
COC1=NC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC(=O)[N-]1	REAL300025234710	0	42	-2.0	-94.65	381.39	-5.87	-100.52
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300025234719	0	39	-2.0	-96.99	370.23	-0.05	-97.04
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300025234757	0	40	-2.0	-97.30	373.00	-0.60	-97.90
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300025234765	0	39	-2.0	-99.78	350.07	-1.30	-101.08
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025234771	0	36	-2.0	-96.31	337.29	-3.85	-100.16
CC1=C([O-])N=C(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025234793	1	39	-2.0	-101.36	369.02	-3.75	-105.11
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300025234884	1	42	-2.0	-92.21	379.66	-0.99	-93.20
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300025234901	0	39	-2.0	-102.88	375.84	-2.98	-105.86
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300025234921	1	39	-2.0	-87.77	372.05	-0.74	-88.51
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300025234941	0	40	-2.0	-91.31	363.07	-5.47	-96.78
CCN1[N-]C(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025234997	0	43	-2.0	-94.36	386.91	-1.52	-95.88
CN1[N-]C(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025235015	0	40	-2.0	-93.71	365.18	-2.46	-96.17
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300025235151	1	40	-2.0	-96.45	363.16	-1.05	-97.50
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300025235194	0	40	-2.0	-96.16	369.37	-0.98	-97.14
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300025235199	0	39	-2.0	-98.08	366.63	-0.84	-98.92
CC1=C(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N(C)[N-]1	REAL300025235214	0	46	-2.0	-96.09	408.23	-1.17	-97.26
CC1=CN=C(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300025235249	1	42	-2.0	-102.39	375.49	0.07	-102.32
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300025235269	0	37	-2.0	-100.06	349.60	-2.04	-102.10
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300025235285	0	40	-2.0	-105.32	362.55	-0.60	-105.92
CC1(NC(=O)C2=NC(=O)[N-]C(=O)N2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235422	0	38	-2.0	-95.49	358.01	-7.26	-102.75
CC1(NC(=O)C2=NC(=O)NC(=O)[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235422	1	38	-2.0	-88.26	358.66	-6.49	-94.75
CC1(NC(=O)CN2[N-]C(=O)C=CC2=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235541	0	42	-2.0	-94.40	386.67	-3.62	-98.02
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235547	0	36	-2.0	-95.12	339.63	-3.72	-98.84
CC1(NC(=O)C2=CN([O-])C(=O)NC2=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025235556	0	40	-2.0	-90.89	370.64	-2.49	-93.38
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300025236424	1	42	-2.0	-84.45	363.25	-1.03	-85.48
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1	REAL300025236508	0	45	-2.0	-90.82	385.80	-0.93	-91.75
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300025236536	0	44	-2.0	-81.14	376.21	0.34	-80.80
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300025236570	0	43	-2.0	-84.64	368.52	-1.07	-85.71
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300025236731	0	42	-2.0	-84.06	362.90	-1.73	-85.79
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1	REAL300025236814	0	46	-2.0	-86.77	390.93	0.58	-86.19
CN(C(=O)C1=NC=CC=C1[O-])C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237062	1	45	-2.0	-97.70	380.74	2.72	-94.98
CN(C(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237442	1	42	-2.0	-85.51	364.32	-1.06	-86.57
CN(C(=O)C1=C[N-]N=CC1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237505	0	44	-2.0	-84.75	382.25	0.45	-84.30
CN(C(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237553	0	43	-2.0	-85.49	369.13	-1.04	-86.53
CN(C(=O)C1=NC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237579	0	42	-2.0	-85.24	363.95	-1.74	-86.98
CN(C(=O)C1=NN(C)C(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237750	0	45	-2.0	-91.90	386.70	-0.89	-92.79
CN(C(=O)C1=CC=NC=C1[O-])C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237849	0	45	-2.0	-97.38	377.97	1.49	-95.89
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237851	0	42	-2.0	-89.49	364.16	-0.92	-90.41
CN(C(=O)C1=CC(=O)N(C)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237922	0	46	-2.0	-88.04	392.00	0.66	-87.38
CN(C(=O)C1=CC([O-])=CS1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025237988	0	43	-2.0	-97.04	375.99	0.67	-96.37
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300025238104	0	42	-2.0	-89.09	363.07	-1.17	-90.26
CC(C)(NC(=O)C1=COC(=O)[N-]1)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238402	1	45	-2.0	-106.46	377.17	-1.85	-108.31
CC(C)(NC(=O)C1=CC(=O)N[N-]1)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238469	0	46	-2.0	-94.53	381.47	-1.42	-95.95
CC(C)(NC(=O)C1=NC(=O)N[N-]1)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025238523	0	45	-2.0	-94.70	376.06	-2.72	-97.42
CC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN1C(=O)C1=COC(=O)[N-]1	REAL300025238835	1	45	-2.0	-92.11	374.07	-1.55	-93.66
CC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300025238885	0	46	-2.0	-96.59	379.11	-0.71	-97.30
CC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN1C(=O)C1=NC(=O)N[N-]1	REAL300025238893	0	45	-2.0	-93.00	373.68	-2.16	-95.16
CC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300025239010	0	45	-2.0	-99.93	374.11	-0.54	-100.47
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025239126	0	45	-2.0	-97.87	376.21	-0.93	-98.80
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300025239815	1	42	-2.0	-85.29	367.89	-0.83	-86.12
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300025239899	0	45	-2.0	-105.92	389.33	-0.81	-106.73
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]N=CC1=O	REAL300025239927	0	44	-2.0	-97.78	386.18	0.54	-97.24
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300025239961	0	43	-2.0	-97.96	371.79	-0.97	-98.93
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300025240122	0	42	-2.0	-84.56	367.55	-1.52	-86.08
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300025240205	0	46	-2.0	-101.10	396.40	0.77	-100.33
CN(CC1CCCN1C(=O)C1=NC=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025240453	1	45	-2.0	-118.14	384.27	2.63	-115.51
CN(CC1CCCN1C(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240833	1	42	-2.0	-94.69	367.50	-1.13	-95.82
CN(CC1CCCN1C(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240896	0	44	-2.0	-102.14	367.85	1.15	-100.99
CN(CC1CCCN1C(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240944	0	43	-2.0	-99.04	372.31	-1.04	-100.08
CN(CC1CCCN1C(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025240970	0	42	-2.0	-84.50	366.34	-1.63	-86.13
CN(CC1CCCN1C(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241141	0	45	-2.0	-91.33	390.15	-0.77	-92.10
CN(CC1CCCN1C(=O)C1=CC=NC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025241240	0	45	-2.0	-97.58	368.18	1.24	-96.34
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241242	0	42	-2.0	-101.11	367.30	-0.90	-102.01
CN(CC1CCCN1C(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241313	0	46	-2.0	-87.43	394.24	0.82	-86.61
CN(CC1CCCN1C(=O)C1=CC([O-])=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025241379	0	43	-2.0	-126.10	368.38	1.41	-124.69
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300025241495	0	42	-2.0	-100.09	366.78	-0.89	-100.98
CC(CCNC(=O)C1=NNC(=O)[N-]C1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242193	0	43	-2.0	-101.37	387.26	-4.63	-106.00
CC(CCNC(=O)C1=CN([O-])C(=O)C=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242568	0	45	-2.0	-113.34	398.34	1.50	-111.84
CC(CCNC(=O)C1=CC(=O)NC([O-])=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242637	0	45	-2.0	-92.80	398.81	-3.40	-96.20
CC(CCNC(=O)C1=COC(=O)[N-]1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242647	1	41	-2.0	-91.05	370.88	-3.56	-94.61
CCN1[N-]C(C(=O)NCCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025242750	0	48	-2.0	-98.27	420.25	0.07	-98.20
CC(CCNC(=O)C1=NN(C)C(=O)[N-]1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242774	0	44	-2.0	-101.47	392.96	-2.36	-103.83
CC(CCNC(=O)C1=C[N-]N=CC1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242821	0	43	-2.0	-85.71	379.93	-0.41	-86.12
CC(CCNC(=O)C1=CC(=O)N[N-]1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242875	0	42	-2.0	-94.22	375.70	-2.58	-96.80
CC(CCNC(=O)C(=O)[PH](C)(C)[O-])N(C)C(=O)CSC1=NC(=O)NN1	REAL300025242880	0	47	-2.0	-99.32	409.88	-1.55	-100.87
CC(CCNC(=O)C(=O)[PH](C)(C)[O-])N(C)C(=O)CSC1=NC(=O)[N-]N1	REAL300025242880	1	47	-2.0	-99.32	409.88	-1.55	-100.87
CC(CCNC(=O)CCC1=NC(=O)NN1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242898	0	47	-2.0	-102.10	411.63	-2.90	-105.00
CC(CCNC(=O)CCC1=NC(=O)[N-]N1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242898	1	47	-2.0	-102.10	411.63	-2.90	-105.00
CC(CCNC(=O)C1=CC=CN([O-])C1=O)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242900	0	45	-2.0	-100.13	395.93	1.67	-98.46
CC(CCNC(=O)C1=CC(=O)N([O-])C=C1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242928	0	45	-2.0	-112.81	398.71	1.49	-111.32
CC(CCNC(=O)C1=CC=CC(=O)N1[O-])N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025242948	0	45	-2.0	-134.39	395.79	2.51	-131.88
CC1=CC(=O)C(C(=O)NCCC(C)N(C)C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025243175	0	46	-2.0	-100.80	404.43	1.23	-99.57
CC(CCNC(=O)C1=NNC(=O)[N-]1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243184	0	41	-2.0	-98.28	370.19	-4.03	-102.31
CC(CCNC(=O)C1=CC(=O)N(C)[N-]1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025243341	0	45	-2.0	-97.31	398.52	-0.87	-98.18
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=NC=CC=C1[O-]	REAL300025243591	1	44	-2.0	-110.66	384.88	1.42	-109.24
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=NNC(=O)[N-]C1=O	REAL300025243676	0	43	-2.0	-102.77	384.81	-4.45	-107.22
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=COC(=O)[N-]1	REAL300025244354	1	41	-2.0	-94.34	367.97	-2.24	-96.58
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=C([O-])C=C1F	REAL300025244411	1	45	-2.0	-102.19	393.47	0.61	-101.58
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC([O-])=CC(=O)O1	REAL300025244414	0	44	-2.0	-96.35	393.58	0.04	-96.31
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=C[N-]N=CC1=O	REAL300025244462	0	43	-2.0	-93.58	386.70	-0.83	-94.41
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=CC(F)=C1[O-]	REAL300025244467	0	45	-2.0	-121.77	397.48	1.39	-120.38
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=CC([O-])=C1F	REAL300025244510	1	45	-2.0	-117.66	397.74	0.63	-117.03
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(=O)N[N-]1	REAL300025244560	0	42	-2.0	-97.25	373.27	-2.33	-99.58
CC(CCNC(=O)CSC1=NC(=O)NN1)N(C)C(=O)C(=O)[PH](C)(C)[O-]	REAL300025244564	0	47	-2.0	-96.64	408.00	-1.19	-97.83
CC(CCNC(=O)CSC1=NC(=O)[N-]N1)N(C)C(=O)C(=O)[PH](C)(C)[O-]	REAL300025244564	1	47	-2.0	-96.64	408.00	-1.19	-97.83
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(=O)N([O-])C=C1	REAL300025244602	0	45	-2.0	-115.19	395.11	1.06	-114.13
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=NC(=O)N[N-]1	REAL300025244616	0	41	-2.0	-95.27	368.09	-3.05	-98.32
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=CN([O-])C1=O	REAL300025244618	0	45	-2.0	-129.80	402.67	1.28	-128.52
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(F)=CC=C1O	REAL300025244699	0	45	-2.0	-110.94	397.48	1.41	-109.53
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(F)=CC=C1[O-]	REAL300025244699	1	45	-2.0	-110.94	397.48	1.41	-109.53
CC1=CC=NC(C(=O)N(C)C(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300025244736	0	47	-2.0	-110.98	405.21	2.12	-108.86
CC1=CC=NC(C(=O)N(C)C(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300025244736	1	47	-2.0	-110.98	405.21	2.12	-108.86
CC1=CC(=O)C(C(=O)N(C)C(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025244921	0	46	-2.0	-101.25	401.67	1.44	-99.81
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=CC(=O)N1[O-]	REAL300025244930	0	45	-2.0	-129.72	402.93	1.07	-128.65
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=NN(C)C(=O)[N-]1	REAL300025244963	0	44	-2.0	-104.54	390.74	-2.19	-106.73
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=C(F)C(O)=C1	REAL300025245056	0	45	-2.0	-96.83	394.90	0.57	-96.26
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=C(F)C([O-])=C1	REAL300025245056	1	45	-2.0	-96.83	394.90	0.57	-96.26
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025245091	0	43	-2.0	-96.71	386.08	-4.63	-101.34
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025245091	1	43	-2.0	-92.66	386.92	-3.91	-96.57
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CN=C(N)[N-]C1=O	REAL300025245117	1	45	-2.0	-110.57	400.83	-2.18	-112.75
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=NC=C1[O-]	REAL300025245174	0	44	-2.0	-105.44	386.31	-0.67	-106.11
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300025245179	0	41	-2.0	-100.70	367.82	-2.23	-102.93
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(=O)NC([O-])=C1	REAL300025245265	0	45	-2.0	-96.14	403.51	-3.61	-99.75
CCN1[N-]C(C(=O)N(C)C(C)CCNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025245299	0	48	-2.0	-101.07	417.40	0.32	-100.75
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(=O)N(C)[N-]1	REAL300025245310	0	45	-2.0	-100.19	395.67	-0.61	-100.80
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC=C([O-])C(F)=C1	REAL300025245372	1	45	-2.0	-99.61	394.87	0.62	-98.99
CC1=CN=C(C(=O)N(C)C(C)CCNC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300025245413	1	47	-2.0	-112.11	406.64	2.04	-110.07
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC([O-])=CS1	REAL300025245423	0	42	-2.0	-110.36	380.19	-0.62	-110.98
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CN([O-])C(=O)C=C1	REAL300025245432	0	45	-2.0	-104.12	403.56	1.31	-102.81
CC(CCNC(=O)C1=NC(=O)[N-]C(=O)N1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025245520	0	43	-2.0	-89.93	389.47	-4.87	-94.80
CC(CCNC(=O)C1=NC(=O)NC(=O)[N-]1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025245520	1	43	-2.0	-89.93	389.47	-4.87	-94.80
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300025245608	0	41	-2.0	-96.92	370.45	-2.09	-99.01
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=COC(=O)[N-]2)CC(O)C1	REAL300025246700	1	40	-2.0	-92.34	346.12	-3.30	-95.64
CN1N=C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)[N-]C1=O	REAL300025246780	0	43	-2.0	-107.30	372.60	-4.35	-111.65
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=C[N-]N=CC2=O)CC(O)C1	REAL300025246805	0	42	-2.0	-106.38	369.78	-3.19	-109.57
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)N[N-]2)CC(O)C1	REAL300025246837	0	41	-2.0	-97.27	351.06	-4.29	-101.56
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=NC(=O)N[N-]2)CC(O)C1	REAL300025246983	0	40	-2.0	-94.00	346.49	-4.47	-98.47
CN1[N-]C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)=CC1=O	REAL300025247058	0	44	-2.0	-100.03	375.76	-2.68	-102.71
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=NC=CC=C2[O-])CC(O)C1	REAL300025247295	1	43	-2.0	-108.96	366.83	-0.54	-109.50
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=COC(=O)[N-]2)CC(O)C1	REAL300025247722	1	40	-2.0	-92.34	346.12	-3.30	-95.64
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=C[N-]N=CC2=O)CC(O)C1	REAL300025247783	0	42	-2.0	-106.38	369.78	-3.19	-109.57
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)N[N-]2)CC(O)C1	REAL300025247836	0	41	-2.0	-97.27	351.06	-4.29	-101.56
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=NC(=O)N[N-]2)CC(O)C1	REAL300025247864	0	40	-2.0	-94.00	346.49	-4.47	-98.47
CN1N=C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)[N-]C1=O	REAL300025248047	0	43	-2.0	-107.30	372.60	-4.35	-111.65
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC=NC=C2[O-])CC(O)C1	REAL300025248151	0	43	-2.0	-119.03	370.68	-3.22	-122.25
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300025248153	0	40	-2.0	-100.25	348.61	-4.54	-104.79
CN1[N-]C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC(O)C2)=CC1=O	REAL300025248227	0	44	-2.0	-100.03	375.76	-2.68	-102.71
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC([O-])=CS2)CC(O)C1	REAL300025248302	0	41	-2.0	-115.75	361.03	-3.11	-118.86
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300025248407	0	40	-2.0	-100.25	348.61	-4.54	-104.79
C[C@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249540	0	41	-2.0	-88.44	361.44	-3.82	-92.26
C[C@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249588	0	43	-2.0	-90.36	373.37	-2.46	-92.82
C[C@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025249928	0	43	-2.0	-98.20	378.93	2.18	-96.02
C[C@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250003	0	43	-2.0	-82.88	368.18	-3.24	-86.12
C[C@H]1CN(C(=O)C2=COC(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250014	1	39	-2.0	-83.26	343.36	-1.39	-84.65
CCN1[N-]C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)=CC1=O	REAL300025250119	0	46	-2.0	-85.70	389.07	0.88	-84.82
C[C@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250145	0	42	-2.0	-89.08	365.69	-1.30	-90.38
C[C@H]1CN(C(=O)C2=C[N-]N=CC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250197	0	41	-2.0	-82.72	361.82	0.02	-82.70
C[C@H]1CN(C(=O)C2=CC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250255	0	40	-2.0	-82.59	344.19	-1.77	-84.36
C[C@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)CSC1=NC(=O)NN1	REAL300025250260	0	45	-2.0	-88.41	379.00	-1.34	-89.75
C[C@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)CSC1=NC(=O)[N-]N1	REAL300025250260	1	45	-2.0	-88.41	379.00	-1.34	-89.75
C[C@H]1CN(C(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250280	0	43	-2.0	-106.24	378.12	2.16	-104.08
CC1SC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)=NC1=O	REAL300025250299	0	42	-2.0	-89.59	371.19	-0.97	-90.56
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)S1	REAL300025250299	1	42	-2.0	-89.59	371.19	-0.97	-90.56
C[C@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250313	0	43	-2.0	-100.16	376.10	2.08	-98.08
C[C@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250334	0	43	-2.0	-99.26	366.92	1.99	-97.27
C[C@H]1CN(C(=O)CC2=NC([O-])=CS2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250435	0	42	-2.0	-103.74	378.15	-1.80	-105.54
CC1=CC(=O)C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H](C)C2)=N[N-]1	REAL300025250573	0	44	-2.0	-86.54	377.51	2.20	-84.34
C[C@H]1CN(C(=O)C2=NC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250583	0	39	-2.0	-82.49	338.97	-2.38	-84.87
C[C@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025250749	0	43	-2.0	-84.79	366.93	-0.07	-84.86
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC=CC=C1O	REAL300025250999	0	42	-2.0	-94.72	359.13	1.30	-93.42
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300025250999	1	42	-2.0	-94.72	359.13	1.30	-93.42
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300025251084	0	41	-2.0	-88.42	360.80	-3.71	-92.13
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300025251161	0	43	-2.0	-90.21	373.32	-2.46	-92.67
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300025251804	1	39	-2.0	-83.14	339.31	-1.67	-84.81
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=C([O-])C=C1F	REAL300025251863	1	43	-2.0	-87.49	376.31	1.59	-85.90
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300025251866	0	42	-2.0	-85.89	367.14	0.64	-85.25
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCC1=NNC(=O)[N-]1	REAL300025251907	0	45	-2.0	-88.41	383.62	-1.77	-90.18
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300025251916	0	41	-2.0	-83.11	362.09	0.03	-83.08
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300025251921	0	43	-2.0	-98.97	375.86	1.92	-97.05
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=CC([O-])=C1F	REAL300025251967	1	43	-2.0	-96.62	376.15	1.58	-95.04
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300025252021	0	40	-2.0	-82.80	344.41	-1.79	-84.59
C[C@H]1CN(C(=O)CSC2=NC(=O)NN2)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300025252025	0	45	-2.0	-88.37	379.04	-1.34	-89.71
C[C@H]1CN(C(=O)CSC2=NC(=O)[N-]N2)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300025252025	1	45	-2.0	-88.37	379.04	-1.34	-89.71
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300025252063	0	43	-2.0	-100.17	374.26	1.99	-98.18
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300025252077	0	39	-2.0	-83.50	343.31	-2.10	-85.60
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300025252080	0	43	-2.0	-102.37	370.46	1.72	-100.65
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300025252163	1	43	-2.0	-90.69	368.92	2.28	-88.41
CC1=CC=NC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)=C1[O-]	REAL300025252201	1	45	-2.0	-94.10	379.97	1.72	-92.38
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1=NC([O-])=CS1	REAL300025252321	0	42	-2.0	-103.95	378.30	-1.82	-105.77
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300025252330	0	43	-2.0	-93.39	376.05	1.91	-91.48
CC1=CC(=O)C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)=N[N-]1	REAL300025252399	0	44	-2.0	-86.02	373.49	1.74	-84.28
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300025252409	0	43	-2.0	-108.89	378.15	1.94	-106.95
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300025252442	0	42	-2.0	-89.14	361.96	-1.58	-90.72
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300025252539	1	43	-2.0	-94.36	370.27	1.22	-93.14
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025252575	0	41	-2.0	-80.70	359.81	-3.79	-84.49
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025252575	1	41	-2.0	-80.70	359.81	-3.79	-84.49
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CN=C(N)NC1=O	REAL300025252602	0	43	-2.0	-86.27	366.89	-1.41	-87.68
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300025252602	1	43	-2.0	-86.27	366.89	-1.41	-87.68
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300025252671	0	39	-2.0	-88.17	339.14	-1.83	-90.00
CC1SC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)=NC1=O	REAL300025252683	0	42	-2.0	-90.70	371.54	-0.95	-91.65
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)S1	REAL300025252683	1	42	-2.0	-90.70	371.54	-0.95	-91.65
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300025252763	0	43	-2.0	-83.14	368.22	-3.24	-86.38
CCN1[N-]C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)=CC1=O	REAL300025252799	0	46	-2.0	-85.53	388.96	0.85	-84.68
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300025252811	0	43	-2.0	-85.28	367.28	-0.05	-85.33
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=C(O)C(F)=C1	REAL300025252875	0	43	-2.0	-89.79	370.24	1.26	-88.53
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300025252875	1	43	-2.0	-89.79	370.24	1.26	-88.53
CC1=CN=C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)C(O)=C1	REAL300025252920	0	45	-2.0	-96.69	382.41	2.74	-93.95
CC1=CN=C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)C([O-])=C1	REAL300025252920	1	45	-2.0	-96.69	382.41	2.74	-93.95
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC([O-])=CS1	REAL300025252931	0	40	-2.0	-92.92	358.93	0.39	-92.53
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300025252940	0	43	-2.0	-99.55	369.99	1.72	-97.83
C[C@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253031	0	41	-2.0	-86.33	357.97	-4.25	-90.58
C[C@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253031	1	41	-2.0	-79.88	358.50	-3.52	-83.40
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253130	0	39	-2.0	-87.66	339.15	-1.82	-89.48
CC(C)[C@H]1CN(C(=O)C2=COC(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253588	1	45	-2.0	-82.61	370.15	-0.74	-83.35
CC(C)[C@H]1CN(C(=O)C2=CC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253666	0	46	-2.0	-82.19	375.05	-0.85	-83.04
CC(C)[C@H]1CN(C(=O)C2=NC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025253734	0	45	-2.0	-82.29	369.32	-1.43	-83.72
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300025254054	1	45	-2.0	-83.78	370.32	-0.60	-84.38
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300025254104	0	46	-2.0	-82.41	374.67	-0.90	-83.31
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NNC(=O)[N-]1	REAL300025254112	0	45	-2.0	-86.07	369.58	-2.35	-88.42
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300025254229	0	45	-2.0	-87.78	368.92	-0.96	-88.74
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025254352	0	45	-2.0	-87.11	369.96	-0.83	-87.94
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=COC(=O)[N-]1	REAL300025254671	1	45	-2.0	-97.12	383.80	-0.20	-97.32
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)N[N-]1	REAL300025254749	0	46	-2.0	-100.40	388.66	-0.29	-100.69
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=NC(=O)N[N-]1	REAL300025254817	0	45	-2.0	-98.98	383.46	-0.93	-99.91
CN(CC1CCCN(C(=O)C2=COC(=O)[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025255173	1	45	-2.0	-95.08	383.35	-0.27	-95.35
CN(CC1CCCN(C(=O)C2=CC(=O)N[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025255225	0	46	-2.0	-99.06	387.84	-0.37	-99.43
CN(CC1CCCN(C(=O)C2=NC(=O)N[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025255235	0	45	-2.0	-92.62	383.45	-0.99	-93.61
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025255380	0	45	-2.0	-99.14	383.32	-0.40	-99.54
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300025255519	0	45	-2.0	-103.68	383.34	-0.19	-103.87
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300025256234	0	41	-2.0	-97.82	373.40	-5.25	-103.07
O=C(CN1C(=O)[N-]NC1=O)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256282	0	43	-2.0	-100.92	387.55	-3.57	-104.49
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300025256622	0	43	-2.0	-108.33	384.22	0.93	-107.40
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300025256697	0	43	-2.0	-90.05	384.44	-3.98	-94.03
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C1=COC(=O)[N-]1	REAL300025256708	1	39	-2.0	-89.45	356.76	-4.13	-93.58
CCN1[N-]C(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025256813	0	46	-2.0	-95.74	405.93	-0.53	-96.27
CN1N=C(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025256839	0	42	-2.0	-98.57	378.69	-2.93	-101.50
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C1=C[N-]N=CC1=O	REAL300025256891	0	41	-2.0	-95.37	357.22	0.80	-94.57
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C1=CC(=O)N[N-]1	REAL300025256949	0	40	-2.0	-91.83	361.38	-3.17	-95.00
C[PH](C)([O-])C(=O)C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NC(=O)NN1	REAL300025256954	0	45	-2.0	-92.76	394.57	-2.31	-95.07
C[PH](C)([O-])C(=O)C(=O)NC[C@@H]1CCCN1C(=O)CSC1=NC(=O)[N-]N1	REAL300025256954	1	45	-2.0	-92.76	394.57	-2.31	-95.07
O=C(CCC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025256972	0	45	-2.0	-96.17	397.35	-2.95	-99.12
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C1=CC=CN([O-])C1=O	REAL300025256974	0	43	-2.0	-100.56	381.61	1.06	-99.50
CC1SC(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=NC1=O	REAL300025256993	0	42	-2.0	-94.78	388.13	-3.02	-97.80
CC1=C([O-])N=C(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025256993	1	42	-2.0	-94.78	388.13	-3.02	-97.80
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300025257007	0	43	-2.0	-108.10	384.60	0.93	-107.17
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300025257028	0	43	-2.0	-129.13	381.92	1.90	-127.23
O=C(CC1=NC([O-])=CS1)NC[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025257129	0	42	-2.0	-115.44	388.06	-3.22	-118.66
CC1=CC(=O)C(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025257267	0	44	-2.0	-98.08	390.59	0.62	-97.46
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C1=NC(=O)N[N-]1	REAL300025257277	0	39	-2.0	-90.12	355.96	-4.43	-94.55
CN1[N-]C(C(=O)NC[C@@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025257443	0	43	-2.0	-94.73	384.12	-1.46	-96.19
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=NC=CC=C1[O-]	REAL300025257693	1	42	-2.0	-109.53	369.90	0.68	-108.85
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300025257778	0	41	-2.0	-99.66	369.47	-5.13	-104.79
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300025257855	0	43	-2.0	-101.24	387.24	-3.61	-104.85
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=COC(=O)[N-]1	REAL300025258498	1	39	-2.0	-90.73	353.10	-3.09	-93.82
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=CC=C([O-])C=C1F	REAL300025258557	1	43	-2.0	-98.95	373.59	0.69	-98.26
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300025258560	0	42	-2.0	-91.83	379.48	-0.60	-92.43
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300025258610	0	41	-2.0	-88.41	360.55	-0.63	-89.04
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300025258615	0	43	-2.0	-113.51	374.36	2.12	-111.39
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=CC=CC([O-])=C1F	REAL300025258661	1	43	-2.0	-111.98	374.67	0.72	-111.26
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300025258715	0	40	-2.0	-92.48	358.12	-2.96	-95.44
C[PH](C)([O-])C(=O)C(=O)N1CCC[C@H]1CNC(=O)CSC1=NC(=O)NN1	REAL300025258719	0	45	-2.0	-96.90	398.08	-2.36	-99.26
C[PH](C)([O-])C(=O)C(=O)N1CCC[C@H]1CNC(=O)CSC1=NC(=O)[N-]N1	REAL300025258719	1	45	-2.0	-96.90	398.08	-2.36	-99.26
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300025258757	0	43	-2.0	-111.21	375.57	1.34	-109.87
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=NC(=O)N[N-]1	REAL300025258771	0	39	-2.0	-90.98	352.91	-3.70	-94.68
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=CC=CN([O-])C1=O	REAL300025258774	0	43	-2.0	-108.66	377.50	1.37	-107.29
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=CC(F)=CC=C1O	REAL300025258857	0	43	-2.0	-102.98	374.14	2.19	-100.79
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300025258857	1	43	-2.0	-102.98	374.14	2.19	-100.79
CC1=CC=NC(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300025258895	0	45	-2.0	-109.30	390.22	1.37	-107.93
CC1=CC=NC(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300025258895	1	45	-2.0	-109.30	390.22	1.37	-107.93
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)CC1=NC([O-])=CS1	REAL300025259015	0	42	-2.0	-115.20	388.06	-3.25	-118.45
CC1=CC(=O)C(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025259093	0	44	-2.0	-98.06	387.90	0.74	-97.32
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300025259103	0	43	-2.0	-128.04	373.39	2.11	-125.93
CN1N=C(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025259136	0	42	-2.0	-100.05	376.69	-2.84	-102.89
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300025259233	1	43	-2.0	-95.17	376.04	0.80	-94.37
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025259269	0	41	-2.0	-88.63	372.88	-4.70	-93.33
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025259269	1	41	-2.0	-88.63	372.88	-4.70	-93.33
NC1=NC=C(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300025259296	0	43	-2.0	-96.22	375.55	-1.96	-98.18
NC1=NC=C(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300025259296	1	43	-2.0	-96.22	375.55	-1.96	-98.18
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300025259365	0	39	-2.0	-96.30	352.96	-2.86	-99.16
CC1SC(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=NC1=O	REAL300025259377	0	42	-2.0	-96.31	386.17	-2.38	-98.69
CC1=C([O-])N=C(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025259377	1	42	-2.0	-96.31	386.17	-2.38	-98.69
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300025259457	0	43	-2.0	-93.58	375.63	-3.78	-97.36
CCN1[N-]C(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025259493	0	46	-2.0	-97.40	402.50	-0.35	-97.75
CN1[N-]C(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025259505	0	43	-2.0	-96.40	380.79	-1.27	-97.67
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=CC=C(O)C(F)=C1	REAL300025259569	0	43	-2.0	-96.61	376.02	0.84	-95.77
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300025259569	1	43	-2.0	-96.61	376.02	0.84	-95.77
CC1=CN=C(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1	REAL300025259614	0	45	-2.0	-109.75	392.59	1.29	-108.46
CC1=CN=C(C(=O)N2CCC[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300025259614	1	45	-2.0	-109.75	392.59	1.29	-108.46
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=CC([O-])=CS1	REAL300025259625	0	40	-2.0	-107.68	361.22	-0.36	-108.04
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300025259634	0	43	-2.0	-111.40	375.20	1.32	-110.08
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025259725	0	41	-2.0	-90.62	374.50	-6.23	-96.85
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025259725	1	41	-2.0	-86.61	375.32	-5.43	-92.04
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300025259824	0	39	-2.0	-94.25	356.13	-2.69	-96.94
C[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260875	0	41	-2.0	-88.21	360.34	-3.65	-91.86
C[C@@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025260923	0	43	-2.0	-90.55	377.33	-2.15	-92.70
C[C@@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261263	0	43	-2.0	-98.27	374.83	1.89	-96.38
C[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261338	0	43	-2.0	-83.46	374.43	-2.90	-86.36
C[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261349	1	39	-2.0	-83.23	343.33	-1.40	-84.63
CCN1[N-]C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)=CC1=O	REAL300025261454	0	46	-2.0	-85.37	388.91	0.87	-84.50
C[C@@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261480	0	42	-2.0	-89.41	366.12	-1.28	-90.69
C[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261532	0	41	-2.0	-79.51	356.63	0.00	-79.51
C[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261590	0	40	-2.0	-83.17	348.54	-1.48	-84.65
C[C@@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)CSC1=NC(=O)NN1	REAL300025261595	0	45	-2.0	-88.88	383.49	-0.48	-89.36
C[C@@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)CSC1=NC(=O)[N-]N1	REAL300025261595	1	45	-2.0	-88.88	383.49	-0.48	-89.36
C[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261615	0	43	-2.0	-106.67	374.38	1.87	-104.80
CC1SC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)=NC1=O	REAL300025261634	0	42	-2.0	-90.03	374.96	-0.70	-90.73
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)S1	REAL300025261634	1	42	-2.0	-90.03	374.96	-0.70	-90.73
C[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261648	0	43	-2.0	-98.97	379.47	2.18	-96.79
C[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261669	0	43	-2.0	-108.36	378.46	1.92	-106.44
C[C@@H]1CN(C(=O)CC2=NC([O-])=CS2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261770	0	42	-2.0	-103.53	374.16	-2.10	-105.63
CC1=CC(=O)C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H](C)C2)=N[N-]1	REAL300025261908	0	44	-2.0	-86.63	373.88	1.88	-84.75
C[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025261918	0	39	-2.0	-83.40	343.33	-2.08	-85.48
C[C@@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025262084	0	43	-2.0	-85.47	371.35	0.25	-85.22
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300025262334	1	42	-2.0	-94.22	359.45	1.25	-92.97
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300025262419	0	41	-2.0	-88.46	360.34	-3.66	-92.12
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300025262496	0	43	-2.0	-90.88	377.37	-2.17	-93.05
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300025263139	1	39	-2.0	-83.30	343.42	-1.41	-84.71
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=C([O-])C=C1F	REAL300025263198	1	43	-2.0	-87.62	375.31	1.58	-86.04
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300025263201	0	42	-2.0	-85.85	371.12	0.96	-84.89
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300025263251	0	41	-2.0	-78.59	350.24	-0.29	-78.88
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300025263256	0	43	-2.0	-98.64	369.03	2.22	-96.42
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=CC([O-])=C1F	REAL300025263302	1	43	-2.0	-96.76	369.32	1.23	-95.53
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300025263356	0	40	-2.0	-83.44	348.62	-1.47	-84.91
C[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300025263360	0	45	-2.0	-88.10	382.90	-1.07	-89.17
C[C@@H]1CN(C(=O)CSC2=NC(=O)[N-]N2)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300025263360	1	45	-2.0	-88.10	382.90	-1.07	-89.17
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300025263398	0	43	-2.0	-100.10	369.83	1.70	-98.40
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300025263412	0	39	-2.0	-82.74	338.97	-2.37	-85.11
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300025263415	0	43	-2.0	-102.50	370.46	1.72	-100.78
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(F)=CC=C1O	REAL300025263498	0	43	-2.0	-91.16	374.98	1.86	-89.30
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300025263498	1	43	-2.0	-91.16	374.98	1.86	-89.30
CC1=CC=NC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)=C1O	REAL300025263536	0	45	-2.0	-95.32	383.85	2.23	-93.09
CC1=CC=NC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)=C1[O-]	REAL300025263536	1	45	-2.0	-95.32	383.85	2.23	-93.09
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1=NC([O-])=CS1	REAL300025263656	0	42	-2.0	-104.37	378.18	-1.78	-106.15
CC1=CC(=O)C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)=N[N-]1	REAL300025263734	0	44	-2.0	-86.86	377.48	2.22	-84.64
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300025263744	0	43	-2.0	-111.45	368.43	2.25	-109.20
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300025263777	0	42	-2.0	-89.57	366.23	-1.30	-90.87
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=C(F)C(O)=C1	REAL300025263874	0	43	-2.0	-90.27	370.11	1.20	-89.07
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300025263874	1	43	-2.0	-90.27	370.11	1.20	-89.07
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025263910	0	41	-2.0	-87.21	358.15	-4.25	-91.46
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025263910	1	41	-2.0	-80.93	359.72	-3.83	-84.76
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300025263937	1	43	-2.0	-92.40	376.60	-1.29	-93.69
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=NC=C1[O-]	REAL300025264001	0	42	-2.0	-93.75	355.62	0.56	-93.19
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300025264006	0	39	-2.0	-88.24	343.57	-1.42	-89.66
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)S1	REAL300025264018	1	42	-2.0	-90.67	375.63	-0.68	-91.35
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300025264098	0	43	-2.0	-83.14	368.19	-3.24	-86.38
CCN1[N-]C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)=CC1=O	REAL300025264134	0	46	-2.0	-86.27	393.17	1.17	-85.10
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300025264146	0	43	-2.0	-85.73	371.42	0.23	-85.50
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300025264210	1	43	-2.0	-88.92	370.06	1.24	-87.68
CC1=CN=C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)C([O-])=C1	REAL300025264255	1	45	-2.0	-96.71	382.22	2.80	-93.91
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC([O-])=CS1	REAL300025264266	0	40	-2.0	-93.59	353.30	0.04	-93.55
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300025264275	0	43	-2.0	-99.76	367.84	1.67	-98.09
C[C@@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025264366	0	41	-2.0	-80.24	362.47	-3.15	-83.39
C[C@@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025264366	1	41	-2.0	-80.24	362.47	-3.15	-83.39
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025264465	0	39	-2.0	-88.19	343.52	-1.41	-89.60
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCCC(C1)N2C(=O)C1=COC(=O)[N-]1	REAL300025265252	1	43	-2.0	-83.11	357.24	-0.00	-83.11
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)N[N-]1	REAL300025265334	0	44	-2.0	-82.86	362.12	-0.13	-82.99
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCCC(C1)N2C(=O)C1=NC(=O)N[N-]1	REAL300025265405	0	43	-2.0	-82.74	356.91	-0.72	-83.46
O=C(CSC1=NNC(=O)[N-]1)N1C2CCCC1CN(C(=O)C1=COC(=O)[N-]1)C2	REAL300025265774	1	43	-2.0	-82.48	357.21	-0.07	-82.55
O=C(CSC1=NNC(=O)[N-]1)N1C2CCCC1CN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300025265828	0	44	-2.0	-82.39	362.37	-0.18	-82.57
O=C(CSC1=NNC(=O)[N-]1)N1C2CCCC1CN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300025265841	0	43	-2.0	-82.50	356.80	-0.77	-83.27
O=C(CSC1=NNC(=O)[N-]1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300025265990	0	43	-2.0	-87.25	357.39	-0.06	-87.31
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300025266136	0	43	-2.0	-87.30	357.00	-0.09	-87.39
CC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025266415	0	43	-2.0	-106.01	364.18	-0.56	-106.57
CC1(F)CN(C(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025266734	0	43	-2.0	-106.01	364.18	-0.56	-106.57
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=COC(=O)[N-]1	REAL300025267336	1	44	-2.0	-87.10	384.23	-5.36	-92.46
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=CC(=O)N[N-]1	REAL300025267402	0	45	-2.0	-86.47	389.06	-4.35	-90.82
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=NC(=O)N[N-]1	REAL300025267461	0	44	-2.0	-86.79	383.70	-5.65	-92.44
CN1CCN(C(=O)C2=COC(=O)[N-]2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025267787	1	44	-2.0	-83.46	380.80	-4.18	-87.64
CN1CCN(C(=O)C2=CC(=O)N[N-]2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025267834	0	45	-2.0	-85.04	385.34	-4.33	-89.37
CN1CCN(C(=O)C2=NC(=O)N[N-]2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025267843	0	44	-2.0	-87.86	380.59	-4.92	-92.78
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025267968	0	44	-2.0	-89.65	380.79	-4.05	-93.70
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300025268085	0	44	-2.0	-90.36	383.81	-3.87	-94.23
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=COC(=O)[N-]1	REAL300025268631	1	39	-2.0	-88.46	363.55	-4.08	-92.54
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=C[N-]N=CC1=O	REAL300025268722	0	41	-2.0	-82.90	372.06	-0.90	-83.80
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)N[N-]1	REAL300025268751	0	40	-2.0	-90.45	368.33	-3.11	-93.56
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=NC(=O)N[N-]1	REAL300025268872	0	39	-2.0	-88.90	362.93	-4.40	-93.30
CN1[N-]C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025268931	0	43	-2.0	-93.37	391.19	-1.38	-94.75
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=NC=CC=C1[O-]	REAL300025269145	1	42	-2.0	-104.87	377.63	0.75	-104.12
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=COC(=O)[N-]1	REAL300025269441	1	39	-2.0	-90.28	360.87	-3.10	-93.38
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=C[N-]N=CC1=O	REAL300025269492	0	41	-2.0	-87.56	366.98	-0.53	-88.09
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)N[N-]1	REAL300025269534	0	40	-2.0	-90.74	364.61	-2.89	-93.63
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=NC(=O)N[N-]1	REAL300025269550	0	39	-2.0	-91.13	360.24	-3.72	-94.85
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=NC=C1[O-]	REAL300025269755	0	42	-2.0	-103.12	369.38	0.40	-102.72
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300025269757	0	39	-2.0	-94.84	359.40	-2.76	-97.60
CN1[N-]C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025269813	0	43	-2.0	-93.88	388.45	-1.24	-95.12
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300025269950	0	39	-2.0	-93.30	363.08	-2.62	-95.92
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1(CNC(=O)C1=COC(=O)[N-]1)C2	REAL300025270661	1	40	-2.0	-106.11	360.88	-2.64	-108.75
CN1N=C(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025270748	0	43	-2.0	-107.42	383.95	-1.57	-108.99
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1(CNC(=O)C1=C[N-]N=CC1=O)C2	REAL300025270780	0	42	-2.0	-97.90	369.67	0.51	-97.39
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1(CNC(=O)C1=CC(=O)N[N-]1)C2	REAL300025270814	0	41	-2.0	-101.82	366.69	-1.78	-103.60
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1(CNC(=O)C1=NC(=O)N[N-]1)C2	REAL300025270983	0	40	-2.0	-104.39	361.29	-3.06	-107.45
CN1[N-]C(C(=O)NCC23CC(C2)CN3C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025271070	0	44	-2.0	-104.35	389.51	-0.07	-104.42
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C1=NC=CC=C1[O-]	REAL300025271319	1	43	-2.0	-111.51	375.57	1.78	-109.73
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C1=COC(=O)[N-]1	REAL300025271794	1	40	-2.0	-92.60	358.85	-2.17	-94.77
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C1=C[N-]N=CC1=O	REAL300025271864	0	42	-2.0	-94.75	377.42	-0.06	-94.81
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C1=CC(=O)N[N-]1	REAL300025271923	0	41	-2.0	-97.08	363.69	-1.64	-98.72
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C1=NC(=O)N[N-]1	REAL300025271957	0	40	-2.0	-94.36	358.44	-2.64	-97.00
CN1N=C(C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)[N-]C1=O	REAL300025272171	0	43	-2.0	-104.69	381.44	-1.48	-106.17
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C1=CC=NC=C1[O-]	REAL300025272301	0	43	-2.0	-113.37	370.94	0.96	-112.41
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300025272304	0	40	-2.0	-99.68	360.78	-1.60	-101.28
CN1[N-]C(C(=O)N2CC3CC2(CNC(=O)CSC2=NNC(=O)[N-]2)C3)=CC1=O	REAL300025272391	0	44	-2.0	-100.18	386.45	0.07	-100.11
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C1=CC([O-])=CS1	REAL300025272481	0	41	-2.0	-109.32	372.11	0.17	-109.15
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300025272606	0	40	-2.0	-106.37	360.45	-1.17	-107.54
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC(NC(=O)C3=COC(=O)[N-]3)C2C1	REAL300025273330	1	43	-2.0	-88.07	379.25	-3.26	-91.33
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC(NC(=O)C3=CC(=O)N[N-]3)C2C1	REAL300025273412	0	44	-2.0	-89.72	381.19	-2.03	-91.75
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC(NC(=O)C3=NC(=O)N[N-]3)C2C1	REAL300025273483	0	43	-2.0	-92.24	375.80	-3.31	-95.55
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2CN(C(=O)C3=COC(=O)[N-]3)CC21	REAL300025273852	1	43	-2.0	-86.83	376.21	-2.14	-88.97
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2CN(C(=O)C3=CC(=O)N[N-]3)CC21	REAL300025273906	0	44	-2.0	-88.91	380.82	-2.07	-90.98
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2CN(C(=O)C3=NC(=O)N[N-]3)CC21	REAL300025273919	0	43	-2.0	-87.64	375.59	-2.80	-90.44
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300025274068	0	43	-2.0	-91.09	372.89	-1.72	-92.81
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300025274214	0	43	-2.0	-91.97	378.82	-1.79	-93.76
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1NC(=O)C1=COC(=O)[N-]1	REAL300025274499	1	45	-2.0	-89.02	379.09	-2.79	-91.81
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1NC(=O)C1=CC(=O)N[N-]1	REAL300025274566	0	46	-2.0	-91.91	383.96	-1.80	-93.71
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1NC(=O)C1=NNC(=O)[N-]1	REAL300025274620	0	45	-2.0	-101.73	374.37	-3.03	-104.76
CC1CCN(C(=O)C2=COC(=O)[N-]2)C(C)C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025274932	1	45	-2.0	-88.15	371.89	-1.31	-89.46
CC1CCN(C(=O)C2=CC(=O)N[N-]2)C(C)C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025274982	0	46	-2.0	-93.75	376.67	-1.38	-95.13
CC1CCN(C(=O)C2=NC(=O)N[N-]2)C(C)C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025274990	0	45	-2.0	-90.09	371.48	-1.99	-92.08
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025275107	0	45	-2.0	-97.49	371.70	-1.34	-98.83
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300025275223	0	45	-2.0	-94.80	378.67	-1.31	-96.11
CC1(CNC(=O)C2=COC(=O)[N-]2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025275912	1	42	-2.0	-95.16	370.88	-3.05	-98.21
CN1N=C(C(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025275996	0	45	-2.0	-102.17	393.01	-1.82	-103.99
CC1(CNC(=O)C2=C[N-]N=CC2=O)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025276024	0	44	-2.0	-94.33	368.35	1.28	-93.05
CC1(CNC(=O)C2=CC(=O)N[N-]2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025276058	0	43	-2.0	-95.79	375.76	-2.03	-97.82
CC1(CNC(=O)C2=NC(=O)N[N-]2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025276219	0	42	-2.0	-94.32	370.37	-3.25	-97.57
CN1[N-]C(C(=O)NCC2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025276302	0	46	-2.0	-96.90	398.59	-0.24	-97.14
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=NC=CC=C1[O-]	REAL300025276550	1	45	-2.0	-106.98	384.04	1.83	-105.15
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=COC(=O)[N-]1	REAL300025276930	1	42	-2.0	-90.97	367.47	-1.85	-92.82
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300025276993	0	44	-2.0	-92.01	381.36	0.26	-91.75
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300025277041	0	43	-2.0	-93.48	372.39	-1.74	-95.22
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=NC(=O)N[N-]1	REAL300025277067	0	42	-2.0	-93.76	367.05	-2.59	-96.35
CN1N=C(C(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025277238	0	45	-2.0	-102.95	389.79	-1.68	-104.63
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC=NC=C1[O-]	REAL300025277337	0	45	-2.0	-109.27	376.84	0.99	-108.28
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300025277339	0	42	-2.0	-97.84	367.86	-1.63	-99.47
CN1[N-]C(C(=O)N2CCCC2(C)CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025277410	0	46	-2.0	-98.40	395.08	-0.14	-98.54
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC([O-])=CS1	REAL300025277476	0	43	-2.0	-108.08	376.10	0.38	-107.70
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025277592	0	42	-2.0	-98.74	370.45	-1.56	-100.30
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC(NC(=O)C3=COC(=O)[N-]3)C2C1	REAL300025278308	1	40	-2.0	-84.90	364.34	-3.81	-88.71
CN1N=C(C(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)[N-]C1=O	REAL300025278395	0	43	-2.0	-91.91	386.50	-2.60	-94.51
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC(NC(=O)C3=C[N-]N=CC3=O)C2C1	REAL300025278427	0	42	-2.0	-77.57	373.39	-0.65	-78.22
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC(NC(=O)C3=CC(=O)N[N-]3)C2C1	REAL300025278461	0	41	-2.0	-85.33	369.02	-2.80	-88.13
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC(NC(=O)C3=NC(=O)N[N-]3)C2C1	REAL300025278630	0	40	-2.0	-90.65	360.10	-3.93	-94.58
CN1[N-]C(C(=O)NC2CC3CN(C(=O)CSC4=NNC(=O)[N-]4)CC32)=CC1=O	REAL300025278717	0	44	-2.0	-87.84	391.75	-1.09	-88.93
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CN(C(=O)C3=NC=CC=C3[O-])CC21	REAL300025278966	1	43	-2.0	-102.23	373.58	1.15	-101.08
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CN(C(=O)C3=COC(=O)[N-]3)CC21	REAL300025279441	1	40	-2.0	-87.30	360.99	-2.94	-90.24
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CN(C(=O)C3=C[N-]N=CC3=O)CC21	REAL300025279511	0	42	-2.0	-86.77	379.43	-1.04	-87.81
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CN(C(=O)C3=CC(=O)N[N-]3)CC21	REAL300025279570	0	41	-2.0	-87.80	365.58	-2.71	-90.51
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CN(C(=O)C3=NC(=O)N[N-]3)CC21	REAL300025279604	0	40	-2.0	-87.17	357.51	-2.94	-90.11
CN1N=C(C(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)[N-]C1=O	REAL300025279818	0	43	-2.0	-94.45	383.09	-2.52	-96.97
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CN(C(=O)C3=CC=NC=C3[O-])CC21	REAL300025279948	0	43	-2.0	-98.70	378.03	-0.55	-99.25
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300025279951	0	40	-2.0	-91.24	360.93	-2.52	-93.76
CN1[N-]C(C(=O)N2CC3CC(NC(=O)CSC4=NNC(=O)[N-]4)C3C2)=CC1=O	REAL300025280038	0	44	-2.0	-90.60	384.65	-0.86	-91.46
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CN(C(=O)C3=CC([O-])=CS3)CC21	REAL300025280128	0	41	-2.0	-100.48	372.33	-0.76	-101.24
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300025280253	0	40	-2.0	-89.51	363.76	-2.31	-91.82
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CCC2CNC(=O)C2=COC(=O)[N-]2)C1	REAL300025280597	1	43	-2.0	-86.62	390.97	-3.32	-89.94
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CCC2CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300025280679	0	44	-2.0	-88.03	395.80	-2.34	-90.37
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CCC2CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300025280750	0	43	-2.0	-92.36	388.98	-3.64	-96.00
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC12CN(C(=O)C1=COC(=O)[N-]1)C2	REAL300025281119	1	43	-2.0	-90.08	388.84	-2.88	-92.96
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC12CN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300025281173	0	44	-2.0	-91.09	393.67	-2.30	-93.39
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC12CN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300025281186	0	43	-2.0	-90.21	388.40	-3.32	-93.53
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300025281335	0	43	-2.0	-93.00	389.27	-2.00	-95.00
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300025281481	0	43	-2.0	-92.11	390.54	-1.86	-93.97
CC1CN(C(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282499	0	41	-2.0	-87.78	356.52	-4.02	-91.80
CC1CN(C(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282547	0	43	-2.0	-90.33	373.28	-2.45	-92.78
CC1CN(C(=O)C2=CN([O-])C(=O)C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282887	0	43	-2.0	-99.89	373.50	2.00	-97.89
CC1CN(C(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282962	0	43	-2.0	-83.49	378.67	-2.73	-86.22
CC1CN(C(=O)C2=COC(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025282973	1	39	-2.0	-82.57	339.36	-1.69	-84.26
CCN1[N-]C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)=CC1=O	REAL300025283078	0	46	-2.0	-85.78	388.78	0.85	-84.93
CC1CN(C(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283104	0	42	-2.0	-89.08	362.04	-1.59	-90.67
CC1CN(C(=O)C2=C[N-]N=CC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283156	0	41	-2.0	-79.70	357.19	-0.02	-79.72
CC1CN(C(=O)C2=CC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283214	0	40	-2.0	-82.63	344.23	-1.78	-84.41
CC1CN(C(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)CSC1=NC(=O)[N-]N1	REAL300025283219	1	45	-2.0	-88.44	379.20	-0.83	-89.27
CC1CN(C(=O)CC2=CC(=O)N(C)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283221	0	46	-2.0	-95.06	391.03	0.36	-94.70
CC1CN(C(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283239	0	43	-2.0	-108.02	377.90	2.16	-105.86
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)S1	REAL300025283258	1	42	-2.0	-90.00	371.28	-0.98	-90.98
CC1CN(C(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283272	0	43	-2.0	-98.71	375.06	1.90	-96.81
CC1CN(C(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283293	0	43	-2.0	-113.22	365.89	2.53	-110.69
CC1CN(C(=O)CC2=NC([O-])=CS2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283394	0	42	-2.0	-103.47	374.16	-2.10	-105.57
CC1=CC(=O)C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)C(C)C2)=N[N-]1	REAL300025283532	0	44	-2.0	-86.57	373.65	1.92	-84.65
CC1CN(C(=O)C2=NC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283542	0	39	-2.0	-82.33	339.01	-2.39	-84.72
CC1CN(C(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025283708	0	43	-2.0	-85.06	366.97	-0.08	-85.14
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300025283958	1	42	-2.0	-95.49	360.70	2.15	-93.34
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300025284043	0	41	-2.0	-88.37	360.30	-3.67	-92.04
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300025284120	0	43	-2.0	-89.99	373.27	-2.46	-92.45
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300025284763	1	39	-2.0	-83.33	343.42	-1.41	-84.74
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=C([O-])C=C1F	REAL300025284822	1	43	-2.0	-87.59	375.31	1.58	-86.01
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300025284825	0	42	-2.0	-85.86	371.22	0.96	-84.90
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCC1=NNC(=O)[N-]1	REAL300025284866	0	45	-2.0	-88.46	383.66	-1.79	-90.25
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300025284875	0	41	-2.0	-84.02	361.58	-0.00	-84.02
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300025284880	0	43	-2.0	-99.45	366.55	2.38	-97.07
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=CC([O-])=C1F	REAL300025284926	1	43	-2.0	-97.55	366.86	1.20	-96.35
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300025284980	0	40	-2.0	-83.12	348.37	-1.52	-84.64
CC1CN(C(=O)CSC2=NC(=O)NN2)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300025284984	0	45	-2.0	-88.10	379.23	-0.89	-88.99
CC1CN(C(=O)CSC2=NC(=O)[N-]N2)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300025284984	1	45	-2.0	-88.10	379.23	-0.89	-88.99
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300025285022	0	43	-2.0	-100.09	370.19	1.70	-98.39
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300025285036	0	39	-2.0	-83.49	343.29	-2.11	-85.60
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300025285039	0	43	-2.0	-99.69	370.69	1.87	-97.82
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(F)=CC=C1O	REAL300025285122	0	43	-2.0	-90.61	369.22	2.22	-88.39
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300025285122	1	43	-2.0	-90.61	369.22	2.22	-88.39
CC1=CC=NC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)=C1[O-]	REAL300025285160	1	45	-2.0	-94.15	379.91	1.76	-92.39
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1=NC([O-])=CS1	REAL300025285280	0	42	-2.0	-104.34	378.16	-1.79	-106.13
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300025285289	0	43	-2.0	-93.72	375.06	1.84	-91.88
CC1=CC(=O)C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)=N[N-]1	REAL300025285358	0	44	-2.0	-86.88	377.45	2.20	-84.68
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300025285368	0	43	-2.0	-100.52	367.47	2.00	-98.52
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300025285401	0	42	-2.0	-89.43	366.00	-1.29	-90.72
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300025285498	1	43	-2.0	-90.29	370.09	1.20	-89.09
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025285534	0	41	-2.0	-80.12	358.42	-3.49	-83.61
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025285534	1	41	-2.0	-80.12	358.42	-3.49	-83.61
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CN=C(N)NC1=O	REAL300025285561	0	43	-2.0	-92.42	376.57	-1.29	-93.71
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300025285561	1	43	-2.0	-92.42	376.57	-1.29	-93.71
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300025285630	0	39	-2.0	-88.17	343.24	-1.55	-89.72
CC1SC(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)=NC1=O	REAL300025285642	0	42	-2.0	-90.78	375.55	-0.69	-91.47
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)S1	REAL300025285642	1	42	-2.0	-90.78	375.55	-0.69	-91.47
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300025285722	0	43	-2.0	-83.13	368.25	-3.23	-86.36
CCN1[N-]C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)=CC1=O	REAL300025285758	0	46	-2.0	-85.91	392.92	1.13	-84.78
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300025285770	0	43	-2.0	-84.90	366.93	-0.07	-84.97
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=C(O)C(F)=C1	REAL300025285834	0	43	-2.0	-88.95	370.11	1.25	-87.70
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300025285834	1	43	-2.0	-88.95	370.11	1.25	-87.70
CC1=CN=C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C(O)=C1	REAL300025285879	0	45	-2.0	-96.68	382.15	2.78	-93.90
CC1=CN=C(C(=O)N2CCN(C(=O)CSC3=NNC(=O)[N-]3)CC2C)C([O-])=C1	REAL300025285879	1	45	-2.0	-96.68	382.15	2.78	-93.90
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC([O-])=CS1	REAL300025285890	0	40	-2.0	-94.14	353.22	-0.01	-94.15
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300025285899	0	43	-2.0	-97.57	378.85	2.16	-95.41
CC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025285990	0	41	-2.0	-86.73	358.04	-4.21	-90.94
CC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025285990	1	41	-2.0	-80.23	358.72	-3.51	-83.74
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025286089	0	39	-2.0	-87.12	339.19	-1.83	-88.95
CC1(NC(=O)C2=COC(=O)[N-]2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286734	1	42	-2.0	-100.92	363.23	-3.43	-104.35
CN1N=C(C(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025286807	0	45	-2.0	-110.38	385.39	-2.21	-112.59
CC1(NC(=O)C2=C[N-]N=CC2=O)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286832	0	44	-2.0	-93.31	372.30	-0.27	-93.58
CC1(NC(=O)C2=CC(=O)N[N-]2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025286863	0	43	-2.0	-102.84	368.07	-2.42	-105.26
CC1(NC(=O)C2=NC(=O)N[N-]2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025287000	0	42	-2.0	-102.33	362.67	-3.71	-106.04
CN1[N-]C(C(=O)NC2(C)CCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025287067	0	46	-2.0	-105.78	390.81	-0.71	-106.49
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025287315	1	45	-2.0	-114.32	379.66	0.81	-113.51
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025287778	1	42	-2.0	-93.30	360.07	-2.16	-95.46
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025287845	0	44	-2.0	-101.98	378.24	-0.75	-102.73
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025287902	0	43	-2.0	-100.09	364.78	-2.25	-102.34
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025287934	0	42	-2.0	-95.63	359.51	-2.85	-98.48
CN1N=C(C(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025288137	0	45	-2.0	-108.40	382.32	-2.08	-110.48
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300025288255	0	45	-2.0	-119.54	379.99	-0.88	-120.42
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025288257	0	42	-2.0	-103.40	359.72	-2.28	-105.68
CN1[N-]C(C(=O)N2CCCC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025288337	0	46	-2.0	-103.24	387.51	-0.54	-103.78
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C2=CC([O-])=CS2)C1	REAL300025288421	0	43	-2.0	-113.79	375.26	-0.35	-114.14
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025288526	0	42	-2.0	-106.60	362.82	-1.94	-108.54
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](F)C[C@H](NC(=O)C2=COC(=O)[N-]2)C1	REAL300025289083	1	39	-2.0	-93.55	358.40	-4.03	-97.58
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](F)C[C@H](NC(=O)C2=C[N-]N=CC2=O)C1	REAL300025289174	0	41	-2.0	-87.87	367.45	-0.88	-88.75
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)N[N-]2)C1	REAL300025289203	0	40	-2.0	-97.26	363.24	-3.05	-100.31
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](F)C[C@H](NC(=O)C2=NC(=O)N[N-]2)C1	REAL300025289324	0	39	-2.0	-94.94	357.81	-4.35	-99.29
CN1[N-]C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025289383	0	43	-2.0	-100.32	386.04	-1.34	-101.66
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](F)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025289597	1	42	-2.0	-113.12	374.82	0.19	-112.93
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](F)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025289952	1	39	-2.0	-94.10	355.08	-2.80	-96.90
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](F)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025290005	0	41	-2.0	-96.70	373.76	-1.37	-98.07
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025290054	0	40	-2.0	-98.73	360.18	-2.86	-101.59
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](F)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025290075	0	39	-2.0	-95.49	354.67	-3.50	-98.99
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300025290317	0	42	-2.0	-120.31	372.67	-0.59	-120.90
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025290319	0	39	-2.0	-101.90	355.07	-2.80	-104.70
CN1[N-]C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025290383	0	43	-2.0	-101.48	382.79	-1.17	-102.65
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300025290535	0	39	-2.0	-100.10	357.97	-2.56	-102.66
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CCNC(=O)C2=COC(=O)[N-]2)C1	REAL300025291184	1	40	-2.0	-88.90	374.24	-7.48	-96.38
CN1N=C(C(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025291264	0	43	-2.0	-96.69	396.33	-6.28	-102.97
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CCNC(=O)C2=C[N-]N=CC2=O)C1	REAL300025291289	0	42	-2.0	-80.86	383.30	-4.33	-85.19
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CCNC(=O)C2=CC(=O)N[N-]2)C1	REAL300025291321	0	41	-2.0	-89.94	379.07	-6.49	-96.43
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CCNC(=O)C2=NC(=O)N[N-]2)C1	REAL300025291467	0	40	-2.0	-89.27	373.67	-7.78	-97.05
CN1[N-]C(C(=O)NCCC2(O)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025291542	0	44	-2.0	-92.61	401.89	-4.77	-97.38
O=C(CSC1=NNC(=O)[N-]1)NCCC1(O)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025291779	1	43	-2.0	-106.45	388.44	-2.85	-109.30
O=C(CSC1=NNC(=O)[N-]1)NCCC1(O)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025292206	1	40	-2.0	-94.85	371.94	-7.02	-101.87
O=C(CSC1=NNC(=O)[N-]1)NCCC1(O)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025292267	0	42	-2.0	-96.90	379.74	-3.78	-100.68
O=C(CSC1=NNC(=O)[N-]1)NCCC1(O)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025292320	0	41	-2.0	-94.07	376.77	-6.45	-100.52
O=C(CSC1=NNC(=O)[N-]1)NCCC1(O)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025292348	0	40	-2.0	-95.46	371.67	-7.56	-103.02
CN1N=C(C(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025292531	0	43	-2.0	-100.49	394.17	-6.24	-106.73
O=C(CSC1=NNC(=O)[N-]1)NCCC1(O)CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300025292635	0	43	-2.0	-106.09	384.96	-3.59	-109.68
O=C(CSC1=NNC(=O)[N-]1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025292637	0	40	-2.0	-98.23	371.79	-6.13	-104.36
CN1[N-]C(C(=O)N2CC(O)(CCNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025292711	0	44	-2.0	-96.63	399.59	-4.75	-101.38
O=C(CSC1=NNC(=O)[N-]1)NCCC1(O)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300025292786	0	41	-2.0	-103.75	384.02	-4.35	-108.10
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300025292891	0	40	-2.0	-94.68	373.82	-6.01	-100.69
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC(NC(=O)C2=COC(=O)[N-]2)C1	REAL300025293543	1	40	-2.0	-86.57	358.47	-5.06	-91.63
CN1N=C(C(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025293623	0	43	-2.0	-91.30	380.55	-3.88	-95.18
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC(NC(=O)C2=C[N-]N=CC2=O)C1	REAL300025293648	0	42	-2.0	-86.68	369.19	-2.36	-89.04
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC(NC(=O)C2=CC(=O)N[N-]2)C1	REAL300025293680	0	41	-2.0	-85.34	363.30	-4.09	-89.43
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC(NC(=O)C2=NC(=O)N[N-]2)C1	REAL300025293826	0	40	-2.0	-85.96	357.89	-5.37	-91.33
CN1[N-]C(C(=O)NC2COCCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025293901	0	44	-2.0	-87.83	386.04	-2.38	-90.21
O=C(CSC1=NNC(=O)[N-]1)NC1COCCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025294138	1	43	-2.0	-106.18	372.29	-0.48	-106.66
O=C(CSC1=NNC(=O)[N-]1)NC1COCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025294565	1	40	-2.0	-98.05	356.17	-3.99	-102.04
O=C(CSC1=NNC(=O)[N-]1)NC1COCCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025294626	0	42	-2.0	-84.77	374.48	-2.40	-87.17
O=C(CSC1=NNC(=O)[N-]1)NC1COCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025294679	0	41	-2.0	-97.88	361.12	-4.29	-102.17
O=C(CSC1=NNC(=O)[N-]1)NC1COCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025294707	0	40	-2.0	-98.32	355.92	-4.77	-103.09
CN1N=C(C(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025294890	0	43	-2.0	-91.32	377.42	-3.54	-94.86
O=C(CSC1=NNC(=O)[N-]1)NC1COCCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300025294994	0	43	-2.0	-94.78	371.19	-2.68	-97.46
O=C(CSC1=NNC(=O)[N-]1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025294996	0	40	-2.0	-104.91	356.29	-4.27	-109.18
CN1[N-]C(C(=O)N2CCOCC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025295070	0	44	-2.0	-87.05	383.78	-2.04	-89.09
O=C(CSC1=NNC(=O)[N-]1)NC1COCCN(C(=O)C2=CC([O-])=CS2)C1	REAL300025295145	0	41	-2.0	-96.70	365.10	-2.25	-98.95
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300025295250	0	40	-2.0	-89.34	358.04	-3.59	-92.93
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=COC(=O)[N-]1)C2	REAL300025295964	1	40	-2.0	-90.19	364.10	-1.97	-92.16
CN1N=C(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)[N-]C1=O	REAL300025296051	0	43	-2.0	-93.98	386.40	-1.61	-95.59
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300025296083	0	42	-2.0	-92.47	382.95	-0.25	-92.72
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300025296117	0	41	-2.0	-87.62	368.96	-1.79	-89.41
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300025296286	0	40	-2.0	-89.03	364.83	-2.72	-91.75
CN1[N-]C(C(=O)N2CCC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)=CC1=O	REAL300025296373	0	44	-2.0	-91.42	392.64	-0.12	-91.54
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300025296622	1	43	-2.0	-100.11	381.56	1.65	-98.46
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CN(C(=O)C3=COC(=O)[N-]3)C2)C1	REAL300025297097	1	40	-2.0	-86.39	366.09	-2.48	-88.87
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300025297167	0	42	-2.0	-98.15	374.23	0.81	-97.34
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CN(C(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300025297226	0	41	-2.0	-87.22	369.89	-1.94	-89.16
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300025297260	0	40	-2.0	-87.24	364.63	-2.96	-90.20
CN1N=C(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)[N-]C1=O	REAL300025297474	0	43	-2.0	-93.79	387.28	-1.74	-95.53
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CN(C(=O)C3=CC=NC=C3[O-])C2)C1	REAL300025297604	0	43	-2.0	-111.19	379.07	0.94	-110.25
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300025297607	0	40	-2.0	-91.10	365.95	-1.58	-92.68
CN1[N-]C(C(=O)N2CC3(C2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C3)=CC1=O	REAL300025297694	0	44	-2.0	-89.89	392.71	-0.24	-90.13
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CN(C(=O)C3=CC([O-])=CS3)C2)C1	REAL300025297784	0	41	-2.0	-105.54	378.15	0.19	-105.35
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300025297909	0	40	-2.0	-95.79	363.95	-1.72	-97.51
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CNC(=O)C3=COC(=O)[N-]3)CC1CO2	REAL300025298242	1	41	-2.0	-92.89	376.06	-5.31	-98.20
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CNC(=O)C3=CC(=O)N[N-]3)CC1CO2	REAL300025298320	0	42	-2.0	-89.81	380.89	-4.32	-94.13
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CNC(=O)C3=NC(=O)N[N-]3)CC1CO2	REAL300025298388	0	41	-2.0	-91.67	376.06	-5.65	-97.32
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(CO1)N(C(=O)C1=COC(=O)[N-]1)C2	REAL300025298744	1	41	-2.0	-92.95	373.47	-4.65	-97.60
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(CO1)N(C(=O)C1=CC(=O)N[N-]1)C2	REAL300025298796	0	42	-2.0	-89.84	378.86	-4.31	-94.15
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(CO1)N(C(=O)C1=NC(=O)N[N-]1)C2	REAL300025298806	0	41	-2.0	-92.39	373.20	-5.15	-97.54
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300025298951	0	41	-2.0	-95.31	373.40	-4.03	-99.34
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300025299090	0	41	-2.0	-94.59	376.21	-3.87	-98.46
O=C(CSC1=NNC(=O)[N-]1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=COC(=O)[N-]1)C2	REAL300025299420	1	43	-2.0	-83.93	365.41	-1.64	-85.57
O=C(CSC1=NNC(=O)[N-]1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)N[N-]1)C2	REAL300025299502	0	44	-2.0	-84.39	370.24	-0.64	-85.03
O=C(CSC1=NNC(=O)[N-]1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=NC(=O)N[N-]1)C2	REAL300025299573	0	43	-2.0	-83.84	365.12	-1.92	-85.76
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=COC(=O)[N-]1	REAL300025299942	1	43	-2.0	-86.68	361.80	-0.59	-87.27
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)N[N-]1	REAL300025299996	0	44	-2.0	-86.54	366.64	-0.47	-87.01
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NC(=O)N[N-]1	REAL300025300009	0	43	-2.0	-86.58	361.44	-1.20	-87.78
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300025300158	0	43	-2.0	-90.57	361.64	-0.34	-90.91
O=C(CSC1=NNC(=O)[N-]1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300025300304	0	43	-2.0	-88.19	364.98	-0.15	-88.34
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@@H](CNC(=O)C2=COC(=O)[N-]2)C1	REAL300025301517	1	40	-2.0	-94.08	369.13	-7.55	-101.63
CN1N=C(C(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)[N-]C1=O	REAL300025301597	0	43	-2.0	-97.41	392.05	-6.27	-103.68
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@@H](CNC(=O)C2=C[N-]N=CC2=O)C1	REAL300025301622	0	42	-2.0	-86.70	378.37	-4.42	-91.12
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300025301654	0	41	-2.0	-91.59	374.80	-6.49	-98.08
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@@H](CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300025301800	0	40	-2.0	-92.73	369.40	-7.78	-100.51
CN1[N-]C(C(=O)NC[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2O)=CC1=O	REAL300025301875	0	44	-2.0	-95.87	396.77	-4.85	-100.72
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@H]1O	REAL300025302112	1	43	-2.0	-108.83	382.83	-2.67	-111.50
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1O	REAL300025302539	1	40	-2.0	-88.51	366.70	-6.62	-95.13
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1O	REAL300025302600	0	42	-2.0	-92.61	385.18	-4.78	-97.39
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1O	REAL300025302653	0	41	-2.0	-90.62	371.55	-6.38	-97.00
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1O	REAL300025302681	0	40	-2.0	-90.52	365.71	-7.13	-97.65
CN1N=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025302864	0	43	-2.0	-100.00	388.38	-6.21	-106.21
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CN(C(=O)C2=CC=NC=C2[O-])C[C@H]1O	REAL300025302968	0	43	-2.0	-109.50	382.12	-4.03	-113.53
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300025302970	0	40	-2.0	-95.85	365.94	-6.23	-102.08
CN1[N-]C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025303044	0	44	-2.0	-93.60	394.37	-4.67	-98.27
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@H]1O	REAL300025303119	0	41	-2.0	-105.75	378.10	-4.44	-110.19
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300025303224	0	40	-2.0	-97.23	368.70	-6.07	-103.30
O=C(CSC1=NNC(=O)[N-]1)N1CCCC12CCN(C(=O)C1=COC(=O)[N-]1)C2	REAL300025303702	1	43	-2.0	-101.89	367.76	-1.14	-103.03
O=C(CSC1=NNC(=O)[N-]1)N1CCCC12CCN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300025303784	0	44	-2.0	-100.76	372.56	-0.93	-101.69
O=C(CSC1=NNC(=O)[N-]1)N1CCCC12CCN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300025303855	0	43	-2.0	-101.93	367.34	-1.69	-103.62
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCCN2C(=O)C2=COC(=O)[N-]2)C1	REAL300025304188	1	43	-2.0	-91.14	367.62	-1.15	-92.29
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCCN2C(=O)C2=CC(=O)N[N-]2)C1	REAL300025304240	0	44	-2.0	-101.93	373.33	0.00	-101.93
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCCN2C(=O)C2=NC(=O)N[N-]2)C1	REAL300025304250	0	43	-2.0	-99.06	368.13	-0.75	-99.81
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300025304370	0	43	-2.0	-98.26	367.49	-0.88	-99.14
O=C(CSC1=NNC(=O)[N-]1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300025304500	0	43	-2.0	-110.42	368.40	0.14	-110.28
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H](F)C[C@H](NC(=O)C2=COC(=O)[N-]2)C1	REAL300025305480	1	39	-2.0	-87.48	359.34	-4.00	-91.48
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H](F)C[C@H](NC(=O)C2=C[N-]N=CC2=O)C1	REAL300025305571	0	41	-2.0	-81.10	368.38	-0.86	-81.96
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)N[N-]2)C1	REAL300025305600	0	40	-2.0	-89.95	364.16	-3.02	-92.97
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H](F)C[C@H](NC(=O)C2=NC(=O)N[N-]2)C1	REAL300025305721	0	39	-2.0	-88.36	358.76	-4.31	-92.67
CN1[N-]C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025305780	0	43	-2.0	-92.79	386.99	-1.30	-94.09
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](F)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025305994	1	42	-2.0	-101.22	373.28	0.77	-100.45
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](F)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025306349	1	39	-2.0	-88.34	356.01	-2.79	-91.13
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](F)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025306402	0	41	-2.0	-93.75	374.68	-1.33	-95.08
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025306451	0	40	-2.0	-91.06	361.12	-2.82	-93.88
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](F)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025306472	0	39	-2.0	-89.12	355.61	-3.49	-92.61
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300025306714	0	42	-2.0	-107.62	375.88	-1.04	-108.66
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025306716	0	39	-2.0	-94.60	355.82	-2.88	-97.48
CN1[N-]C(C(=O)N2C[C@H](F)C[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025306780	0	43	-2.0	-93.60	383.69	-1.17	-94.77
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300025306932	0	39	-2.0	-93.33	358.91	-2.54	-95.87
CC1(C)C(NC(=O)C2=COC(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025307983	1	42	-2.0	-86.19	370.06	-3.23	-89.42
CN1N=C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)[N-]C1=O	REAL300025308056	0	45	-2.0	-89.65	392.14	-2.02	-91.67
CC1(C)C(NC(=O)C2=C[N-]N=CC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025308081	0	44	-2.0	-78.49	379.00	-0.07	-78.56
CC1(C)C(NC(=O)C2=CC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025308112	0	43	-2.0	-83.94	374.88	-2.24	-86.18
CC1(C)C(NC(=O)C2=NC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025308249	0	42	-2.0	-83.80	369.15	-3.64	-87.44
CN1[N-]C(C(=O)NC2CCN(C(=O)CSC3=NNC(=O)[N-]3)C2(C)C)=CC1=O	REAL300025308316	0	46	-2.0	-85.59	397.29	-0.64	-86.23
CC1(C)C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300025308564	1	45	-2.0	-96.85	383.40	1.57	-95.28
CC1(C)C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300025308944	1	42	-2.0	-85.06	367.56	-2.03	-87.09
CC1(C)C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300025309007	0	44	-2.0	-81.00	360.88	-1.40	-82.40
CC1(C)C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300025309055	0	43	-2.0	-85.08	371.48	-2.02	-87.10
CC1(C)C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300025309081	0	42	-2.0	-85.38	366.28	-2.77	-88.15
CN1N=C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)[N-]C1=O	REAL300025309252	0	45	-2.0	-91.56	389.02	-1.86	-93.42
CC1(C)C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=NC=C1[O-]	REAL300025309351	0	45	-2.0	-95.21	383.43	0.30	-94.91
CC1(C)C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300025309353	0	42	-2.0	-89.17	367.42	-1.74	-90.91
CN1[N-]C(C(=O)N2CCC(NC(=O)CSC3=NNC(=O)[N-]3)C2(C)C)=CC1=O	REAL300025309424	0	46	-2.0	-87.68	394.32	-0.31	-87.99
CC1(C)C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC([O-])=CS1	REAL300025309490	0	43	-2.0	-100.01	378.52	-0.18	-100.19
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025309592	0	42	-2.0	-88.62	369.63	-1.75	-90.37
C[C@@H]1[C@H](NC(=O)C2=COC(=O)[N-]2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310537	1	42	-2.0	-97.36	363.59	-2.64	-100.00
C[C@@H]1[C@H](NC(=O)C2=NN(C)C(=O)[N-]2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310621	0	45	-2.0	-96.63	385.67	-1.45	-98.08
C[C@@H]1[C@H](NC(=O)C2=C[N-]N=CC2=O)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310649	0	44	-2.0	-88.54	372.61	0.53	-88.01
C[C@@H]1[C@H](NC(=O)C2=CC(=O)N[N-]2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310683	0	43	-2.0	-91.93	368.42	-1.65	-93.58
C[C@@H]1[C@H](NC(=O)C2=NC(=O)N[N-]2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310844	0	42	-2.0	-95.62	362.99	-2.92	-98.54
C[C@@H]1[C@H](NC(=O)C2=CC(=O)N(C)[N-]2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025310927	0	46	-2.0	-93.87	391.15	0.05	-93.82
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=NC=CC=C1[O-]	REAL300025311175	1	45	-2.0	-98.44	377.24	2.07	-96.37
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=COC(=O)[N-]1	REAL300025311555	1	42	-2.0	-84.39	360.33	-1.35	-85.74
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300025311618	0	44	-2.0	-78.77	370.90	0.00	-78.77
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300025311666	0	43	-2.0	-86.58	365.21	-1.45	-88.03
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=NC(=O)N[N-]1	REAL300025311692	0	42	-2.0	-85.03	360.04	-2.03	-87.06
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300025311863	0	45	-2.0	-93.95	382.80	-1.26	-95.21
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC=NC=C1[O-]	REAL300025311962	0	45	-2.0	-101.20	376.23	0.87	-100.33
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300025311964	0	42	-2.0	-92.64	360.04	-1.52	-94.16
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300025312035	0	46	-2.0	-89.19	387.94	0.27	-88.92
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC([O-])=CS1	REAL300025312101	0	43	-2.0	-99.55	373.66	0.32	-99.23
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025312217	0	42	-2.0	-96.30	363.12	-1.13	-97.43
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC(NC(=O)C2=COC(=O)[N-]2)CC1	REAL300025313150	1	45	-2.0	-84.60	375.82	-2.35	-86.95
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O=C(CSC1=NNC(=O)[N-]1)NC1CCCCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300025313652	1	45	-2.0	-90.91	370.10	-0.72	-91.63
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300025313704	0	46	-2.0	-88.55	374.07	-1.17	-89.72
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300025313714	0	45	-2.0	-85.85	368.82	-1.29	-87.14
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O=C(CSC1=NNC(=O)[N-]1)N1CC2CC(NC(=O)C3=CC(=O)N[N-]3)CC2C1	REAL300025314933	0	44	-2.0	-86.33	384.37	-2.25	-88.58
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC(NC(=O)C3=NC(=O)N[N-]3)CC2C1	REAL300025315004	0	43	-2.0	-86.37	378.96	-3.54	-89.91
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CN(C(=O)C3=COC(=O)[N-]3)CC2C1	REAL300025315373	1	43	-2.0	-86.27	376.15	-2.14	-88.41
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CN(C(=O)C3=CC(=O)N[N-]3)CC2C1	REAL300025315427	0	44	-2.0	-87.68	381.47	-2.02	-89.70
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CN(C(=O)C3=NC(=O)N[N-]3)CC2C1	REAL300025315440	0	43	-2.0	-86.70	376.24	-2.75	-89.45
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300025315589	0	43	-2.0	-90.80	376.01	-1.91	-92.71
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300025315735	0	43	-2.0	-92.71	379.57	-1.68	-94.39
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2(NC(=O)C3=COC(=O)[N-]3)CC2)C1	REAL300025316776	1	40	-2.0	-90.54	365.09	-3.50	-94.04
CN1N=C(C(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)[N-]C1=O	REAL300025316852	0	43	-2.0	-94.11	387.17	-2.29	-96.40
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2(NC(=O)C3=C[N-]N=CC3=O)CC2)C1	REAL300025316881	0	42	-2.0	-81.59	374.00	-0.38	-81.97
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2(NC(=O)C3=CC(=O)N[N-]3)CC2)C1	REAL300025316912	0	41	-2.0	-88.30	369.93	-2.51	-90.81
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2(NC(=O)C3=NC(=O)N[N-]3)CC2)C1	REAL300025317056	0	40	-2.0	-90.07	364.53	-3.80	-93.87
CN1[N-]C(C(=O)NC2(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)CC2)=CC1=O	REAL300025317126	0	44	-2.0	-90.51	392.65	-0.80	-91.31
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CN(C(=O)C3=NC=CC=C3[O-])C2)CC1	REAL300025317375	1	43	-2.0	-100.75	379.32	1.12	-99.63
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CN(C(=O)C3=COC(=O)[N-]3)C2)CC1	REAL300025317850	1	40	-2.0	-88.03	362.90	-3.01	-91.04
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CN(C(=O)C3=C[N-]N=CC3=O)C2)CC1	REAL300025317920	0	42	-2.0	-89.74	368.62	-0.10	-89.84
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CN(C(=O)C3=CC(=O)N[N-]3)C2)CC1	REAL300025317979	0	41	-2.0	-87.38	365.24	-2.72	-90.10
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CN(C(=O)C3=NC(=O)N[N-]3)C2)CC1	REAL300025318013	0	40	-2.0	-88.12	362.38	-3.49	-91.61
CN1N=C(C(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)[N-]C1=O	REAL300025318227	0	43	-2.0	-93.76	383.24	-2.65	-96.41
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CN(C(=O)C3=CC=NC=C3[O-])C2)CC1	REAL300025318357	0	43	-2.0	-99.92	375.91	0.41	-99.51
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300025318360	0	40	-2.0	-90.86	360.85	-2.51	-93.37
CN1[N-]C(C(=O)N2CC(C3(NC(=O)CSC4=NNC(=O)[N-]4)CC3)C2)=CC1=O	REAL300025318447	0	44	-2.0	-90.62	390.48	-0.77	-91.39
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CN(C(=O)C3=CC([O-])=CS3)C2)CC1	REAL300025318537	0	41	-2.0	-98.32	374.97	-0.35	-98.67
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300025318647	0	40	-2.0	-93.14	364.67	-2.03	-95.17
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C1=COC(=O)[N-]1	REAL300025319851	1	45	-2.0	-86.94	385.56	-2.68	-89.62
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C1=CC(=O)N[N-]1	REAL300025319929	0	46	-2.0	-86.92	394.40	-1.96	-88.88
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C1=NC(=O)N[N-]1	REAL300025319997	0	45	-2.0	-86.94	384.98	-2.99	-89.93
CC1CN(C(=O)C2=COC(=O)[N-]2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025320353	1	45	-2.0	-87.57	386.24	-1.71	-89.28
CC1CN(C(=O)C2=CC(=O)N[N-]2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025320405	0	46	-2.0	-87.95	391.13	-1.78	-89.73
CC1CN(C(=O)C2=NC(=O)N[N-]2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025320415	0	45	-2.0	-87.95	382.08	-2.14	-90.09
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025320560	0	45	-2.0	-94.04	381.97	-1.56	-95.60
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300025320699	0	45	-2.0	-91.58	385.13	-1.20	-92.78
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=COC(=O)[N-]2)CCC1	REAL300025322229	1	45	-2.0	-100.28	376.11	-2.36	-102.64
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC(=O)N[N-]2)CCC1	REAL300025322307	0	46	-2.0	-104.63	380.93	-1.36	-105.99
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=NC(=O)N[N-]2)CCC1	REAL300025322375	0	45	-2.0	-102.26	375.53	-2.67	-104.93
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=COC(=O)[N-]2)CCC1	REAL300025322731	1	45	-2.0	-104.28	369.52	-0.35	-104.63
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC(=O)N[N-]2)CCC1	REAL300025322783	0	46	-2.0	-107.48	374.39	-1.10	-108.58
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=NC(=O)N[N-]2)CCC1	REAL300025322793	0	45	-2.0	-106.05	369.29	-1.42	-107.47
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300025322938	0	45	-2.0	-108.95	369.30	-1.30	-110.25
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300025323077	0	45	-2.0	-106.54	375.68	-0.88	-107.42
C[C@@H](NC(=O)C1=NNC(=O)[N-]C1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323792	0	41	-2.0	-92.66	380.57	-5.38	-98.04
C[C@@H](NC(=O)CN1C(=O)[N-]NC1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025323840	0	43	-2.0	-94.69	394.42	-3.71	-98.40
C[C@@H](NC(=O)C1=CN([O-])C(=O)C=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324180	0	43	-2.0	-105.89	391.38	0.78	-105.11
C[C@@H](NC(=O)C1=CC(=O)NC([O-])=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324255	0	43	-2.0	-87.77	392.11	-4.13	-91.90
C[C@@H](NC(=O)C1=COC(=O)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324266	1	39	-2.0	-87.91	357.95	-4.52	-92.43
CCN1[N-]C(C(=O)N[C@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025324371	0	46	-2.0	-90.01	407.32	-0.90	-90.91
C[C@@H](NC(=O)C1=NN(C)C(=O)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324397	0	42	-2.0	-93.20	380.10	-3.35	-96.55
C[C@@H](NC(=O)C1=C[N-]N=CC1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324449	0	41	-2.0	-79.59	373.07	-1.24	-80.83
C[C@@H](NC(=O)C1=CC(=O)N[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324507	0	40	-2.0	-87.75	369.00	-3.30	-91.05
C[C@@H](NC(=O)C(=O)[PH](C)(C)[O-])C1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025324512	0	45	-2.0	-95.02	404.28	-2.15	-97.17
C[C@@H](NC(=O)C(=O)[PH](C)(C)[O-])C1CN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300025324512	1	45	-2.0	-95.02	404.28	-2.15	-97.17
C[C@@H](NC(=O)C1=CC=CN([O-])C1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324532	0	43	-2.0	-98.51	388.95	0.93	-97.58
C[C@@H](NC(=O)C1=NC(=O)C(C)S1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324551	0	42	-2.0	-94.69	389.32	-3.42	-98.11
CC1=C([O-])N=C(C(=O)N[C@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025324551	1	42	-2.0	-94.69	389.32	-3.42	-98.11
C[C@@H](NC(=O)C1=CC(=O)N([O-])C=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324565	0	43	-2.0	-106.59	391.75	0.77	-105.82
C[C@@H](NC(=O)C1=CC=CC(=O)N1[O-])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324586	0	43	-2.0	-119.22	389.13	1.77	-117.45
C[C@@H](NC(=O)CC1=NC([O-])=CS1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324687	0	42	-2.0	-107.19	395.26	-3.40	-110.59
CC1=CC(=O)C(C(=O)N[C@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025324825	0	44	-2.0	-90.56	397.72	0.48	-90.08
C[C@@H](NC(=O)C1=NC(=O)N[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324835	0	39	-2.0	-87.62	357.37	-4.83	-92.45
C[C@@H](NC(=O)C1=CC(=O)N(C)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025324996	0	43	-2.0	-89.40	385.60	-1.83	-91.23
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025325246	1	42	-2.0	-103.36	379.72	0.33	-103.03
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300025325335	0	41	-2.0	-94.37	379.33	-5.31	-99.68
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300025325421	0	43	-2.0	-95.02	394.68	-3.74	-98.76
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025326205	1	39	-2.0	-91.72	361.85	-3.96	-95.68
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300025326267	1	43	-2.0	-92.72	388.65	-0.21	-92.93
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300025326270	0	42	-2.0	-91.33	386.71	-0.83	-92.16
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300025326318	1	45	-2.0	-100.48	404.67	-3.65	-104.13
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025326327	0	41	-2.0	-91.36	369.51	-0.64	-92.00
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300025326334	0	43	-2.0	-107.99	388.24	1.47	-106.52
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300025326389	1	43	-2.0	-104.38	388.54	-0.06	-104.44
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025326453	0	40	-2.0	-88.90	368.06	-3.25	-92.15
C[C@@H](NC(=O)CSC1=NC(=O)NN1)C1CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300025326458	0	45	-2.0	-94.86	402.09	-2.26	-97.12
C[C@@H](NC(=O)CSC1=NC(=O)[N-]N1)C1CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300025326458	1	45	-2.0	-94.86	402.09	-2.26	-97.12
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300025326503	0	43	-2.0	-105.53	388.99	0.35	-105.18
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025326517	0	39	-2.0	-88.26	362.81	-4.28	-92.54
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300025326521	0	43	-2.0	-110.75	396.55	0.67	-110.08
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300025326617	0	43	-2.0	-98.79	388.45	1.47	-97.32
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300025326617	1	43	-2.0	-98.79	388.45	1.47	-97.32
CC1=CC=NC(C(=O)N2CC([C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300025326658	0	45	-2.0	-100.90	398.66	0.91	-99.99
CC1=CC=NC(C(=O)N2CC([C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300025326658	1	45	-2.0	-100.90	398.66	0.91	-99.99
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300025326791	0	42	-2.0	-107.62	395.52	-3.40	-111.02
CC1=CC(=O)C(C(=O)N2CC([C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025326886	0	44	-2.0	-93.68	394.91	0.52	-93.16
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300025326901	0	43	-2.0	-123.33	385.66	1.40	-121.93
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300025326943	0	42	-2.0	-95.82	385.52	-3.05	-98.87
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300025327056	0	43	-2.0	-101.82	389.29	-0.16	-101.98
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300025327056	1	43	-2.0	-101.82	389.29	-0.16	-101.98
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300025327101	0	41	-2.0	-90.08	380.46	-5.90	-95.98
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300025327101	1	41	-2.0	-85.55	381.07	-5.12	-90.67
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300025327135	1	43	-2.0	-98.60	393.65	-2.94	-101.54
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300025327210	0	42	-2.0	-99.71	374.92	-0.48	-100.19
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025327215	0	39	-2.0	-94.50	361.74	-3.05	-97.55
CC1=C([O-])N=C(C(=O)N2CC([C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025327230	1	42	-2.0	-93.94	394.71	-2.87	-96.81
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300025327321	0	43	-2.0	-89.70	387.37	-4.70	-94.40
CCN1[N-]C(C(=O)N2CC([C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025327359	0	46	-2.0	-92.59	412.62	-0.61	-93.20
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300025327375	0	43	-2.0	-91.86	390.40	-1.47	-93.33
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300025327455	1	43	-2.0	-94.39	389.25	-0.13	-94.52
CC1=CN=C(C(=O)N2CC([C@@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300025327510	1	45	-2.0	-104.83	401.17	0.97	-103.86
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC([O-])=CS2)C1	REAL300025327522	0	40	-2.0	-99.29	375.34	-1.12	-100.41
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300025327533	0	43	-2.0	-104.83	387.34	0.30	-104.53
C[C@@H](NC(=O)C1=NC(=O)[N-]C(=O)N1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025327627	0	41	-2.0	-85.34	383.74	-5.49	-90.83
C[C@@H](NC(=O)C1=NC(=O)NC(=O)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025327627	1	41	-2.0	-85.34	383.74	-5.49	-90.83
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025327726	0	39	-2.0	-91.90	357.52	-3.05	-94.95
C[C@@H]1[C@@H](NC(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328472	0	41	-2.0	-87.94	372.81	-5.24	-93.18
C[C@@H]1[C@@H](NC(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328520	0	43	-2.0	-89.30	387.00	-3.60	-92.90
C[C@@H]1[C@@H](NC(=O)C2=CN([O-])C(=O)C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328860	0	43	-2.0	-100.30	384.00	0.89	-99.41
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328935	0	43	-2.0	-83.60	384.37	-4.01	-87.61
C[C@@H]1[C@@H](NC(=O)C2=COC(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025328946	1	39	-2.0	-85.24	356.55	-4.19	-89.43
CCN1[N-]C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)=CC1=O	REAL300025329051	0	46	-2.0	-86.98	405.83	-0.53	-87.51
C[C@@H]1[C@@H](NC(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329077	0	42	-2.0	-89.75	378.69	-3.00	-92.75
C[C@@H]1[C@@H](NC(=O)C2=C[N-]N=CC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329129	0	41	-2.0	-77.89	365.58	-1.05	-78.94
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329187	0	40	-2.0	-83.80	361.26	-3.19	-86.99
C[C@@H]1[C@@H](NC(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)CSC1=NC(=O)[N-]N1	REAL300025329192	1	45	-2.0	-87.79	395.52	-2.17	-89.96
C[C@@H]1[C@@H](NC(=O)CC2=CC(=O)N(C)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329194	0	46	-2.0	-94.52	404.86	-0.82	-95.34
C[C@@H]1[C@@H](NC(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329212	0	43	-2.0	-98.34	381.66	1.04	-97.30
CC1=C([O-])N=C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)S1	REAL300025329231	1	42	-2.0	-91.95	387.90	-3.07	-95.02
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329245	0	43	-2.0	-101.08	384.30	0.87	-100.21
C[C@@H]1[C@@H](NC(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329266	0	43	-2.0	-112.90	381.44	1.89	-111.01
C[C@@H]1[C@@H](NC(=O)CC2=NC([O-])=CS2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329367	0	42	-2.0	-103.27	387.87	-3.26	-106.53
CC1=CC(=O)C(C(=O)N[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@@H]2C)=N[N-]1	REAL300025329505	0	44	-2.0	-86.98	390.07	0.59	-86.39
C[C@@H]1[C@@H](NC(=O)C2=NC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329515	0	39	-2.0	-84.45	355.95	-4.48	-88.93
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025329681	0	43	-2.0	-86.31	384.10	-1.46	-87.77
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300025329931	1	42	-2.0	-97.74	370.07	0.66	-97.08
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300025330016	0	41	-2.0	-89.93	369.58	-5.13	-95.06
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300025330093	0	43	-2.0	-91.27	386.96	-3.64	-94.91
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300025330736	1	39	-2.0	-85.38	353.24	-3.13	-88.51
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=C([O-])C=C1F	REAL300025330795	1	43	-2.0	-89.50	377.42	-0.17	-89.67
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300025330798	0	42	-2.0	-85.63	378.28	-0.58	-86.21
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CCC1=NNC(=O)[N-]1	REAL300025330839	0	45	-2.0	-88.73	397.27	-3.01	-91.74
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300025330848	0	41	-2.0	-78.98	361.41	-1.79	-80.77
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300025330853	0	43	-2.0	-102.19	381.62	1.25	-100.94
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=CC([O-])=C1F	REAL300025330899	1	43	-2.0	-99.31	381.87	-0.03	-99.34
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300025330953	0	40	-2.0	-85.15	358.17	-3.00	-88.15
C[C@@H]1[C@@H](NC(=O)CSC2=NC(=O)NN2)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300025330957	0	45	-2.0	-90.43	392.68	-2.19	-92.62
C[C@@H]1[C@@H](NC(=O)CSC2=NC(=O)[N-]N2)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300025330957	1	45	-2.0	-90.43	392.68	-2.19	-92.62
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300025330995	0	43	-2.0	-102.53	374.49	0.17	-102.36
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300025331009	0	39	-2.0	-85.12	352.84	-3.75	-88.87
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300025331012	0	43	-2.0	-96.16	374.27	0.28	-95.88
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(F)=CC=C1O	REAL300025331095	0	43	-2.0	-95.23	372.98	1.32	-93.91
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300025331095	1	43	-2.0	-95.23	372.98	1.32	-93.91
CC1=CC=NC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)=C1O	REAL300025331133	0	45	-2.0	-97.79	390.28	1.35	-96.44
CC1=CC=NC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)=C1[O-]	REAL300025331133	1	45	-2.0	-97.79	390.28	1.35	-96.44
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)CC1=NC([O-])=CS1	REAL300025331253	0	42	-2.0	-104.55	387.80	-3.30	-107.85
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300025331262	0	43	-2.0	-97.03	377.49	1.21	-95.82
CC1=CC(=O)C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)=N[N-]1	REAL300025331331	0	44	-2.0	-89.15	386.77	0.74	-88.41
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300025331341	0	43	-2.0	-109.12	388.57	0.50	-108.62
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300025331374	0	42	-2.0	-91.49	375.52	-2.83	-94.32
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300025331471	1	43	-2.0	-98.28	374.72	-0.33	-98.61
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025331507	0	41	-2.0	-81.82	371.68	-4.67	-86.49
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025331507	1	41	-2.0	-81.82	371.68	-4.67	-86.49
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CN=C(N)NC1=O	REAL300025331534	0	43	-2.0	-93.19	386.21	-2.74	-95.93
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300025331534	1	43	-2.0	-93.19	386.21	-2.74	-95.93
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300025331603	0	39	-2.0	-88.94	353.17	-2.84	-91.78
CC1SC(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)=NC1=O	REAL300025331615	0	42	-2.0	-91.62	384.78	-2.33	-93.95
CC1=C([O-])N=C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)S1	REAL300025331615	1	42	-2.0	-91.62	384.78	-2.33	-93.95
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300025331695	0	43	-2.0	-85.25	375.13	-4.71	-89.96
CCN1[N-]C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)=CC1=O	REAL300025331731	0	46	-2.0	-88.44	402.72	-0.35	-88.79
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300025331743	0	43	-2.0	-87.79	380.88	-1.29	-89.08
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=C(O)C(F)=C1	REAL300025331807	0	43	-2.0	-92.30	374.68	-0.30	-92.60
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300025331807	1	43	-2.0	-92.30	374.68	-0.30	-92.60
CC1=CN=C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)C(O)=C1	REAL300025331852	0	45	-2.0	-99.40	391.44	1.29	-98.11
CC1=CN=C(C(=O)N2CC[C@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@H]2C)C([O-])=C1	REAL300025331852	1	45	-2.0	-99.40	391.44	1.29	-98.11
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC([O-])=CS1	REAL300025331863	0	40	-2.0	-95.78	365.15	-1.25	-97.03
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300025331872	0	43	-2.0	-98.28	388.43	0.73	-97.55
C[C@@H]1[C@@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025331963	0	41	-2.0	-88.09	374.45	-6.24	-94.33
C[C@@H]1[C@@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025331963	1	41	-2.0	-81.24	375.10	-5.48	-86.72
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025332062	0	39	-2.0	-88.15	356.06	-2.72	-90.87
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC(=O)N[N-]2)C(F)C1	REAL300025332798	0	43	-2.0	-90.29	375.41	-2.02	-92.31
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC(=O)N[N-]2)CC1F	REAL300025333117	0	43	-2.0	-91.96	369.33	-1.78	-93.74
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2(NC(=O)C3=COC(=O)[N-]3)CC2)C1	REAL300025333599	1	43	-2.0	-90.37	380.86	-2.67	-93.04
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2(NC(=O)C3=CC(=O)N[N-]3)CC2)C1	REAL300025333670	0	44	-2.0	-88.48	385.70	-1.69	-90.17
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2(NC(=O)C3=NC(=O)N[N-]3)CC2)C1	REAL300025333726	0	43	-2.0	-89.88	380.30	-2.98	-92.86
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CCN(C(=O)C3=COC(=O)[N-]3)C2)CC1	REAL300025334086	1	43	-2.0	-86.71	378.03	-1.93	-88.64
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CCN(C(=O)C3=CC(=O)N[N-]3)C2)CC1	REAL300025334140	0	44	-2.0	-86.98	378.53	-2.25	-89.23
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CCN(C(=O)C3=NC(=O)N[N-]3)C2)CC1	REAL300025334153	0	43	-2.0	-86.94	377.44	-2.56	-89.50
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300025334302	0	43	-2.0	-91.20	377.08	-1.51	-92.71
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300025334441	0	43	-2.0	-92.93	380.43	-1.21	-94.14
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCCN(C(=O)C1=COC(=O)[N-]1)C2	REAL300025334879	1	43	-2.0	-87.96	376.67	-0.86	-88.82
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300025334961	0	44	-2.0	-104.19	382.37	-0.91	-105.10
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCCN(C(=O)C1=NNC(=O)[N-]1)C2	REAL300025335032	0	43	-2.0	-108.40	377.52	-2.38	-110.78
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CN(C(=O)C3=COC(=O)[N-]3)C2)C1	REAL300025335401	1	43	-2.0	-95.89	379.05	-1.65	-97.54
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CN(C(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300025335455	0	44	-2.0	-99.40	383.89	-1.08	-100.48
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300025335468	0	43	-2.0	-97.21	378.63	-2.10	-99.31
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300025335617	0	43	-2.0	-101.43	378.92	-0.72	-102.15
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300025335763	0	43	-2.0	-95.02	376.47	-0.83	-95.85
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300025336454	1	42	-2.0	-93.73	369.02	-0.97	-94.70
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300025336538	0	45	-2.0	-106.28	391.35	-0.81	-107.09
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]N=CC1=O	REAL300025336566	0	44	-2.0	-84.68	385.54	0.65	-84.03
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300025336600	0	43	-2.0	-84.80	372.82	-0.84	-85.64
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300025336761	0	42	-2.0	-94.44	367.76	-1.56	-96.00
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300025336844	0	46	-2.0	-87.40	395.64	0.87	-86.53
CN(C[C@@H]1CCCN1C(=O)C1=NC=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025337092	1	45	-2.0	-98.01	384.17	2.72	-95.29
CN(C[C@@H]1CCCN1C(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337472	1	42	-2.0	-85.59	367.41	-1.10	-86.69
CN(C[C@@H]1CCCN1C(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337535	0	44	-2.0	-77.10	361.52	-0.13	-77.23
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337583	0	43	-2.0	-84.89	372.31	-0.94	-85.83
CN(C[C@@H]1CCCN1C(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337609	0	42	-2.0	-85.03	367.40	-1.71	-86.74
CN(C[C@@H]1CCCN1C(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337780	0	45	-2.0	-91.14	389.75	-0.78	-91.92
CN(C[C@@H]1CCCN1C(=O)C1=CC=NC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025337879	0	45	-2.0	-97.56	368.50	1.28	-96.28
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337881	0	42	-2.0	-88.28	367.25	-0.78	-89.06
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025337952	0	46	-2.0	-87.64	395.27	0.75	-86.89
CN(C[C@@H]1CCCN1C(=O)C1=CC([O-])=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025338018	0	43	-2.0	-124.78	368.53	1.42	-123.36
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300025338134	0	42	-2.0	-100.53	368.86	-0.87	-101.40
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=COC(=O)[N-]2)CC1CCO	REAL300025338564	1	43	-2.0	-85.50	369.18	-4.44	-89.94
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)N[N-]2)CC1CCO	REAL300025338630	0	44	-2.0	-85.08	374.23	-4.49	-89.57
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=NC(=O)N[N-]2)CC1CCO	REAL300025338687	0	43	-2.0	-85.20	369.33	-5.08	-90.28
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=COC(=O)[N-]2)C(CCO)C1	REAL300025338966	1	43	-2.0	-86.02	369.57	-4.42	-90.44
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)N[N-]2)C(CCO)C1	REAL300025339010	0	44	-2.0	-86.08	374.64	-4.50	-90.58
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=NNC(=O)[N-]2)C(CCO)C1	REAL300025339017	0	43	-2.0	-89.84	369.34	-5.99	-95.83
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300025339114	0	43	-2.0	-91.04	369.39	-4.57	-95.61
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300025339215	0	43	-2.0	-90.20	369.00	-4.56	-94.76
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2CN(C(=O)C3=COC(=O)[N-]3)C2)C1	REAL300025339544	1	43	-2.0	-88.25	387.36	-1.52	-89.77
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2CN(C(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300025339626	0	44	-2.0	-89.75	392.32	-0.95	-90.70
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2CN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300025339697	0	43	-2.0	-91.75	386.41	-2.12	-93.87
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CCN(C(=O)C3=COC(=O)[N-]3)C2)C1	REAL300025340066	1	43	-2.0	-89.13	386.29	-1.23	-90.36
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CCN(C(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300025340120	0	44	-2.0	-90.60	390.86	-0.92	-91.52
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CCN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300025340133	0	43	-2.0	-89.35	385.91	-1.82	-91.17
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300025340282	0	43	-2.0	-93.67	386.22	-0.78	-94.45
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300025340428	0	43	-2.0	-93.23	387.31	-0.74	-93.97
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300025341143	0	41	-2.0	-96.64	373.61	-5.23	-101.87
O=C(CN1C(=O)[N-]NC1=O)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341191	0	43	-2.0	-99.75	387.22	-3.54	-103.29
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300025341531	0	43	-2.0	-109.57	384.51	0.87	-108.70
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300025341606	0	43	-2.0	-89.47	384.70	-3.98	-93.45
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1=COC(=O)[N-]1	REAL300025341617	1	39	-2.0	-89.84	357.05	-4.17	-94.01
CCN1[N-]C(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025341722	0	46	-2.0	-94.79	406.15	-0.50	-95.29
CN1N=C(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025341748	0	42	-2.0	-97.65	379.39	-2.96	-100.61
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1=C[N-]N=CC1=O	REAL300025341800	0	41	-2.0	-84.34	366.32	-1.01	-85.35
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)N[N-]1	REAL300025341858	0	40	-2.0	-90.84	362.03	-3.15	-93.99
C[PH](C)([O-])C(=O)C(=O)NC[C@H]1CCCN1C(=O)CSC1=NC(=O)NN1	REAL300025341863	0	45	-2.0	-94.81	394.86	-2.36	-97.17
C[PH](C)([O-])C(=O)C(=O)NC[C@H]1CCCN1C(=O)CSC1=NC(=O)[N-]N1	REAL300025341863	1	45	-2.0	-94.81	394.86	-2.36	-97.17
O=C(CCC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025341881	0	45	-2.0	-96.24	397.83	-2.98	-99.22
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1=CC=CN([O-])C1=O	REAL300025341883	0	43	-2.0	-118.33	374.10	2.68	-115.65
CC1SC(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=NC1=O	REAL300025341902	0	42	-2.0	-95.28	388.65	-3.07	-98.35
CC1=C([O-])N=C(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025341902	1	42	-2.0	-95.28	388.65	-3.07	-98.35
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300025341916	0	43	-2.0	-109.24	384.89	0.87	-108.37
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CC1=CC(=O)C(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025342176	0	44	-2.0	-96.96	390.77	0.63	-96.33
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1=NC(=O)N[N-]1	REAL300025342186	0	39	-2.0	-89.63	356.66	-4.46	-94.09
CN1[N-]C(C(=O)NC[C@H]2CCCN2C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025342352	0	43	-2.0	-94.66	384.62	-1.46	-96.12
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=NC=CC=C1[O-]	REAL300025342602	1	42	-2.0	-109.67	370.91	0.62	-109.05
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300025342687	0	41	-2.0	-98.53	369.64	-5.12	-103.65
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300025342764	0	43	-2.0	-102.65	387.48	-3.64	-106.29
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=COC(=O)[N-]1	REAL300025343407	1	39	-2.0	-90.17	353.27	-3.07	-93.24
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=CC=C([O-])C=C1F	REAL300025343466	1	43	-2.0	-97.02	375.61	0.76	-96.26
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300025343469	0	42	-2.0	-91.61	378.37	-0.59	-92.20
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300025343519	0	41	-2.0	-88.98	361.83	-0.69	-89.67
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300025343524	0	43	-2.0	-113.60	374.36	2.13	-111.47
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=CC=CC([O-])=C1F	REAL300025343570	1	43	-2.0	-112.06	374.66	0.73	-111.33
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300025343624	0	40	-2.0	-92.81	359.16	-3.01	-95.82
C[PH](C)([O-])C(=O)C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NC(=O)NN1	REAL300025343628	0	45	-2.0	-97.19	397.03	-2.34	-99.53
C[PH](C)([O-])C(=O)C(=O)N1CCC[C@@H]1CNC(=O)CSC1=NC(=O)[N-]N1	REAL300025343628	1	45	-2.0	-97.19	397.03	-2.34	-99.53
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300025343666	0	43	-2.0	-112.70	375.52	1.13	-111.57
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=NC(=O)N[N-]1	REAL300025343680	0	39	-2.0	-91.00	352.94	-3.71	-94.71
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=CC=CN([O-])C1=O	REAL300025343683	0	43	-2.0	-109.15	378.15	1.34	-107.81
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=CC(F)=CC=C1O	REAL300025343766	0	43	-2.0	-102.35	375.28	2.05	-100.30
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300025343766	1	43	-2.0	-102.35	375.28	2.05	-100.30
CC1=CC=NC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300025343804	0	45	-2.0	-109.49	391.25	1.31	-108.18
CC1=CC=NC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300025343804	1	45	-2.0	-109.49	391.25	1.31	-108.18
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)CC1=NC([O-])=CS1	REAL300025343924	0	42	-2.0	-112.23	388.33	-3.29	-115.52
CC1=CC(=O)C(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025344002	0	44	-2.0	-97.82	386.79	0.75	-97.07
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300025344012	0	43	-2.0	-129.45	373.44	2.00	-127.45
CN1N=C(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025344045	0	42	-2.0	-101.17	376.52	-2.86	-104.03
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=CC=C(F)C(O)=C1	REAL300025344142	0	43	-2.0	-95.31	375.82	0.69	-94.62
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300025344142	1	43	-2.0	-95.31	375.82	0.69	-94.62
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025344178	0	41	-2.0	-89.46	372.63	-4.73	-94.19
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025344178	1	41	-2.0	-89.46	372.63	-4.73	-94.19
NC1=NC=C(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300025344205	0	43	-2.0	-99.76	380.42	-1.90	-101.66
NC1=NC=C(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300025344205	1	43	-2.0	-99.76	380.42	-1.90	-101.66
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300025344274	0	39	-2.0	-96.59	354.00	-2.87	-99.46
CC1SC(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=NC1=O	REAL300025344286	0	42	-2.0	-96.75	385.96	-2.41	-99.16
CC1=C([O-])N=C(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025344286	1	42	-2.0	-96.75	385.96	-2.41	-99.16
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300025344366	0	43	-2.0	-93.62	375.93	-3.78	-97.40
CCN1[N-]C(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025344402	0	46	-2.0	-96.38	402.68	-0.33	-96.71
CN1[N-]C(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025344414	0	43	-2.0	-96.70	381.74	-1.33	-98.03
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=CC=C(O)C(F)=C1	REAL300025344478	0	43	-2.0	-96.96	375.79	0.70	-96.26
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300025344478	1	43	-2.0	-96.96	375.79	0.70	-96.26
CC1=CN=C(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1	REAL300025344523	0	45	-2.0	-109.76	391.50	1.31	-108.45
CC1=CN=C(C(=O)N2CCC[C@@H]2CNC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300025344523	1	45	-2.0	-109.76	391.50	1.31	-108.45
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=CC([O-])=CS1	REAL300025344534	0	40	-2.0	-107.52	361.89	-0.42	-107.94
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300025344543	0	43	-2.0	-112.75	375.59	1.10	-111.65
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025344634	0	41	-2.0	-90.18	374.73	-6.20	-96.38
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025344634	1	41	-2.0	-86.73	375.37	-5.44	-92.17
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300025344733	0	39	-2.0	-93.50	356.83	-2.67	-96.17
O=C(CSC1=NNC(=O)[N-]1)N1CC(CCCCNC(=O)C2=COC(=O)[N-]2)C1	REAL300025345083	1	45	-2.0	-87.75	409.25	-2.73	-90.48
O=C(CSC1=NNC(=O)[N-]1)N1CC(CCCCNC(=O)C2=CC(=O)N[N-]2)C1	REAL300025345161	0	46	-2.0	-88.64	414.07	-1.75	-90.39
O=C(CSC1=NNC(=O)[N-]1)N1CC(CCCCNC(=O)C2=NC(=O)N[N-]2)C1	REAL300025345229	0	45	-2.0	-87.94	408.67	-3.03	-90.97
O=C(CSC1=NNC(=O)[N-]1)NCCCCC1CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025345585	1	45	-2.0	-91.78	407.04	-2.30	-94.08
O=C(CSC1=NNC(=O)[N-]1)NCCCCC1CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025345637	0	46	-2.0	-91.30	411.87	-1.72	-93.02
O=C(CSC1=NNC(=O)[N-]1)NCCCCC1CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025345647	0	45	-2.0	-91.70	406.61	-2.75	-94.45
O=C(CSC1=NNC(=O)[N-]1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025345792	0	45	-2.0	-95.21	406.89	-1.38	-96.59
O=C(CSC1=NNC(=O)[N-]1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300025345931	0	45	-2.0	-92.64	408.85	-1.17	-93.81
CN(C(=O)CSC1=NNC(=O)[N-]1)[C@H]1CC[C@@H](NC(=O)C2=COC(=O)[N-]2)CC1	REAL300025346651	1	45	-2.0	-92.41	378.85	-2.75	-95.16
CN(C(=O)CSC1=NNC(=O)[N-]1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)N[N-]2)CC1	REAL300025346729	0	46	-2.0	-85.66	391.59	-1.36	-87.02
CN(C(=O)CSC1=NNC(=O)[N-]1)[C@H]1CC[C@@H](NC(=O)C2=NC(=O)N[N-]2)CC1	REAL300025346797	0	45	-2.0	-85.42	386.17	-2.66	-88.08
CN(C(=O)C1=COC(=O)[N-]1)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025347117	1	45	-2.0	-86.48	376.50	-1.50	-87.98
CN(C(=O)C1=CC(=O)N[N-]1)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025347167	0	46	-2.0	-86.62	381.36	-1.55	-88.17
CN(C(=O)C1=NC(=O)N[N-]1)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025347175	0	45	-2.0	-88.16	383.95	-1.85	-90.01
CN(C(=O)C1=CC(=O)[N-]O1)[C@H]1CC[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CC1	REAL300025347292	0	45	-2.0	-92.01	383.65	-1.04	-93.05
CN(C(=O)CSC1=NNC(=O)[N-]1)[C@H]1CC[C@@H](NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300025347415	0	45	-2.0	-96.29	378.42	-1.28	-97.57
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=COC(=O)[N-]2)C12CCC2	REAL300025347711	1	43	-2.0	-86.06	370.32	-2.88	-88.94
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC(=O)N[N-]2)C12CCC2	REAL300025347782	0	44	-2.0	-83.11	380.19	-2.14	-85.25
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=NNC(=O)[N-]2)C12CCC2	REAL300025347838	0	43	-2.0	-86.16	374.67	-3.59	-89.75
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=COC(=O)[N-]2)C12CCC2	REAL300025348162	1	43	-2.0	-85.15	369.93	-1.75	-86.90
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC(=O)N[N-]2)C12CCC2	REAL300025348214	0	44	-2.0	-83.97	377.38	-2.01	-85.98
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=NC(=O)N[N-]2)C12CCC2	REAL300025348224	0	43	-2.0	-85.21	366.43	-2.44	-87.65
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300025348344	0	43	-2.0	-89.77	369.74	-1.40	-91.17
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300025348467	0	43	-2.0	-87.73	374.97	-1.66	-89.39
O=C(CSC1=NNC(=O)[N-]1)N1CC(F)(CNC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300025349441	0	40	-2.0	-104.14	378.37	0.16	-103.98
O=C(CSC1=NNC(=O)[N-]1)N1CC(F)(CNC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300025349504	0	40	-2.0	-88.02	378.84	-4.76	-92.78
O=C(CSC1=NNC(=O)[N-]1)N1CC(F)(CNC(=O)C2=COC(=O)[N-]2)C1	REAL300025349512	1	36	-2.0	-89.68	350.91	-4.91	-94.59
CCN1[N-]C(C(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025349603	0	43	-2.0	-90.62	400.29	-1.28	-91.90
CN1N=C(C(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025349622	0	39	-2.0	-93.65	372.80	-3.78	-97.43
O=C(CSC1=NNC(=O)[N-]1)N1CC(F)(CNC(=O)C2=C[N-]N=CC2=O)C1	REAL300025349663	0	38	-2.0	-81.06	359.96	-1.75	-82.81
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C[PH](C)([O-])C(=O)C(=O)NCC1(F)CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025349714	0	42	-2.0	-92.17	388.05	-3.05	-95.22
C[PH](C)([O-])C(=O)C(=O)NCC1(F)CN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300025349714	1	42	-2.0	-92.17	388.05	-3.05	-95.22
O=C(CSC1=NNC(=O)[N-]1)N1CC(F)(CNC(=O)C2=CC=CN([O-])C2=O)C1	REAL300025349731	0	40	-2.0	-102.14	375.96	0.32	-101.82
O=C(CSC1=NNC(=O)[N-]1)N1CC(F)(CNC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300025349756	0	40	-2.0	-105.17	378.75	0.15	-105.02
O=C(CSC1=NNC(=O)[N-]1)N1CC(F)(CNC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300025349776	0	40	-2.0	-115.21	375.88	1.16	-114.05
CC1=CC(=O)C(C(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025349975	0	41	-2.0	-89.94	384.45	-0.12	-90.06
O=C(CSC1=NNC(=O)[N-]1)N1CC(F)(CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300025349982	0	36	-2.0	-89.30	350.11	-5.29	-94.59
CN1[N-]C(C(=O)NCC2(F)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025350123	0	40	-2.0	-89.93	378.55	-2.21	-92.14
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025350373	1	39	-2.0	-100.76	364.92	-0.27	-101.03
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025351162	1	36	-2.0	-89.71	348.09	-4.54	-94.25
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300025351213	1	40	-2.0	-93.25	375.06	-0.70	-93.95
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300025351216	0	39	-2.0	-90.01	373.26	-1.33	-91.34
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025351264	0	38	-2.0	-91.31	356.54	-1.14	-92.45
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300025351271	0	40	-2.0	-106.84	374.63	0.82	-106.02
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300025351318	1	40	-2.0	-104.38	374.94	-0.69	-105.07
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025351375	0	37	-2.0	-88.97	352.93	-3.95	-92.92
C[PH](C)([O-])C(=O)C(=O)N1CC(F)(CNC(=O)CSC2=NC(=O)NN2)C1	REAL300025351379	0	42	-2.0	-95.23	391.58	-3.22	-98.45
C[PH](C)([O-])C(=O)C(=O)N1CC(F)(CNC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300025351379	1	42	-2.0	-95.23	391.58	-3.22	-98.45
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300025351417	0	40	-2.0	-106.04	374.27	-0.30	-106.34
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025351430	0	36	-2.0	-89.43	347.98	-4.87	-94.30
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300025351433	0	40	-2.0	-109.43	382.17	0.01	-109.42
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300025351515	0	40	-2.0	-98.16	375.13	0.66	-97.50
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300025351515	1	40	-2.0	-98.16	375.13	0.66	-97.50
CC1=CC=NC(C(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300025351554	0	42	-2.0	-100.52	385.25	0.42	-100.10
CC1=CC=NC(C(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300025351554	1	42	-2.0	-100.52	385.25	0.42	-100.10
CC1=CC(=O)C(C(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025351748	0	41	-2.0	-92.69	381.75	-0.17	-92.86
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300025351760	0	40	-2.0	-120.70	371.47	0.73	-119.97
CN1N=C(C(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025351793	0	39	-2.0	-95.28	370.64	-3.66	-98.94
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300025351882	0	40	-2.0	-101.29	374.52	-0.80	-102.09
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300025351882	1	40	-2.0	-101.29	374.52	-0.80	-102.09
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300025352009	0	39	-2.0	-100.91	361.43	-1.01	-101.92
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025352014	0	36	-2.0	-93.39	348.26	-3.55	-96.94
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300025352103	0	40	-2.0	-87.54	374.11	-5.26	-92.80
CCN1[N-]C(C(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025352134	0	43	-2.0	-91.93	397.79	-1.23	-93.16
CN1[N-]C(C(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025352147	0	40	-2.0	-91.32	376.06	-2.16	-93.48
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300025352219	1	40	-2.0	-95.04	374.48	-0.76	-95.80
CC1=CN=C(C(=O)N2CC(F)(CNC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300025352267	1	42	-2.0	-102.14	386.38	0.36	-101.78
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300025352278	0	37	-2.0	-99.03	360.61	-1.84	-100.87
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300025352287	0	40	-2.0	-105.14	373.07	-0.37	-105.51
O=C(CSC1=NNC(=O)[N-]1)N1CC(F)(CNC(=O)C(F)(F)C(F)F)C1	REAL300025352337	0	35	-2.0	-80.82	352.37	-1.69	-82.51
O=C(CSC1=NNC(=O)[N-]1)N1CC(F)(C[N-]C(=O)C(F)(F)C(F)F)C1	REAL300025352337	1	35	-2.0	-80.82	352.37	-1.69	-82.51
O=C(CSC1=NNC(=O)[N-]1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300025352447	0	36	-2.0	-92.86	350.47	-3.44	-96.30
CC1(C)C[C@@H](CNC(=O)C2=COC(=O)N2)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352792	0	45	-2.0	-89.03	397.50	-3.10	-92.13
CC1(C)C[C@@H](CNC(=O)C2=COC(=O)[N-]2)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352792	1	45	-2.0	-89.03	397.50	-3.10	-92.13
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)N[N-]2)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352870	0	46	-2.0	-90.73	402.33	-2.12	-92.85
CC1(C)C[C@@H](CNC(=O)C2=NNC(=O)[N-]2)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025352938	0	45	-2.0	-94.21	396.82	-3.57	-97.78
CC1(C)C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)N(C(=O)C2=COC(=O)[N-]2)C1	REAL300025353258	1	45	-2.0	-90.81	394.83	-2.14	-92.95
CC1(C)C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)N(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025353308	0	46	-2.0	-92.40	399.69	-1.96	-94.36
CC1(C)C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)N(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025353316	0	45	-2.0	-90.82	393.36	-2.63	-93.45
CC1(C)C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025353433	0	45	-2.0	-95.87	394.39	-1.79	-97.66
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025353556	0	45	-2.0	-92.46	396.75	-1.61	-94.07
CC1(C)CC(CNC(=O)C2=COC(=O)[N-]2)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025353875	1	45	-2.0	-88.59	397.30	-3.07	-91.66
CC1(C)CC(CNC(=O)C2=CC(=O)N[N-]2)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025353953	0	46	-2.0	-89.89	402.13	-2.07	-91.96
CC1(C)CC(CNC(=O)C2=NNC(=O)[N-]2)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025354021	0	45	-2.0	-93.32	396.62	-3.53	-96.85
CC1(C)CC(CNC(=O)CSC2=NNC(=O)[N-]2)N(C(=O)C2=COC(=O)[N-]2)C1	REAL300025354341	1	45	-2.0	-90.21	393.70	-2.00	-92.21
CC1(C)CC(CNC(=O)CSC2=NNC(=O)[N-]2)N(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025354391	0	46	-2.0	-92.08	398.56	-1.91	-93.99
CC1(C)CC(CNC(=O)CSC2=NNC(=O)[N-]2)N(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025354399	0	45	-2.0	-92.15	394.26	-2.72	-94.87
CC1(C)CC(CNC(=O)CSC2=NNC(=O)[N-]2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025354516	0	45	-2.0	-94.81	393.54	-1.77	-96.58
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025354639	0	45	-2.0	-92.44	396.87	-1.59	-94.03
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC2(CNC(=O)C2=COC(=O)[N-]2)C1	REAL300025355342	1	40	-2.0	-98.95	369.24	-3.59	-102.54
CN1N=C(C(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)[N-]C1=O	REAL300025355429	0	43	-2.0	-100.27	391.39	-2.37	-102.64
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC2(CNC(=O)C2=C[N-]N=CC2=O)C1	REAL300025355461	0	42	-2.0	-90.00	378.29	-0.42	-90.42
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC2(CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300025355495	0	41	-2.0	-95.03	374.07	-2.60	-97.63
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC2(CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300025355664	0	40	-2.0	-98.12	368.66	-3.89	-102.01
CN1[N-]C(C(=O)NCC23CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)=CC1=O	REAL300025355751	0	44	-2.0	-97.10	396.88	-0.88	-97.98
O=C(CSC1=NNC(=O)[N-]1)NCC12CC1CN(C(=O)C1=NC=CC=C1[O-])C2	REAL300025356000	1	43	-2.0	-99.64	382.02	1.61	-98.03
O=C(CSC1=NNC(=O)[N-]1)NCC12CC1CN(C(=O)C1=COC(=O)[N-]1)C2	REAL300025356475	1	40	-2.0	-86.19	365.19	-2.21	-88.40
O=C(CSC1=NNC(=O)[N-]1)NCC12CC1CN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300025356545	0	42	-2.0	-88.12	384.09	-0.52	-88.64
O=C(CSC1=NNC(=O)[N-]1)NCC12CC1CN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300025356604	0	41	-2.0	-87.89	370.04	-2.10	-89.99
O=C(CSC1=NNC(=O)[N-]1)NCC12CC1CN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300025356638	0	40	-2.0	-86.62	364.82	-2.83	-89.45
CN1N=C(C(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025356852	0	43	-2.0	-94.87	387.50	-1.90	-96.77
O=C(CSC1=NNC(=O)[N-]1)NCC12CC1CN(C(=O)C1=CC=NC=C1[O-])C2	REAL300025356982	0	43	-2.0	-100.67	381.31	0.41	-100.26
O=C(CSC1=NNC(=O)[N-]1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300025356985	0	40	-2.0	-91.26	365.03	-1.95	-93.21
CN1[N-]C(C(=O)N2CC3CC3(CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025357072	0	44	-2.0	-90.64	392.78	-0.39	-91.03
O=C(CSC1=NNC(=O)[N-]1)NCC12CC1CN(C(=O)C1=CC([O-])=CS1)C2	REAL300025357162	0	41	-2.0	-99.64	377.51	-0.34	-99.98
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300025357287	0	40	-2.0	-100.08	368.81	-2.10	-102.18
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(NC(=O)C3=COC(=O)[N-]3)CC2C1	REAL300025358087	1	43	-2.0	-93.48	373.93	-2.87	-96.35
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(NC(=O)C3=CC(=O)N[N-]3)CC2C1	REAL300025358158	0	44	-2.0	-104.70	376.47	-2.01	-106.71
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(NC(=O)C3=NC(=O)N[N-]3)CC2C1	REAL300025358214	0	43	-2.0	-101.29	371.05	-3.32	-104.61
O=C(CSC1=NNC(=O)[N-]1)NC12CC1CN(C(=O)C1=COC(=O)[N-]1)CCC2	REAL300025358574	1	43	-2.0	-85.42	371.34	-1.03	-86.45
O=C(CSC1=NNC(=O)[N-]1)NC12CC1CN(C(=O)C1=CC(=O)N[N-]1)CCC2	REAL300025358628	0	44	-2.0	-86.22	377.00	-1.59	-87.81
O=C(CSC1=NNC(=O)[N-]1)NC12CC1CN(C(=O)C1=NC(=O)N[N-]1)CCC2	REAL300025358641	0	43	-2.0	-85.25	368.68	-1.90	-87.15
O=C(CSC1=NNC(=O)[N-]1)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300025358790	0	43	-2.0	-90.92	369.12	-1.58	-92.50
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300025358929	0	43	-2.0	-107.19	371.20	-1.53	-108.72
CC1(NC(=O)C2=NNC(=O)[N-]C2=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025359936	0	38	-2.0	-93.61	356.44	-6.35	-99.96
CC1(NC(=O)CN2C(=O)[N-]NC2=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360005	0	40	-2.0	-93.85	370.56	-4.60	-98.45
CC1(NC(=O)C2=CN([O-])C(=O)C=C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360494	0	40	-2.0	-105.20	367.52	-0.13	-105.33
CC1(NC(=O)C2=CC(=O)NC([O-])=C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360589	0	40	-2.0	-89.62	367.77	-5.03	-94.65
CC1(NC(=O)C2=COC(=O)[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360600	1	36	-2.0	-92.50	340.05	-5.19	-97.69
CCN1[N-]C(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025360747	0	43	-2.0	-93.53	389.43	-1.55	-95.08
CC1(NC(=O)C2=CC=CC(=S)N2[O-])CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360765	0	40	-2.0	-119.69	376.09	1.81	-117.88
CN1N=C(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025360786	0	39	-2.0	-96.45	362.15	-3.99	-100.44
CC1(NC(=O)C2=C[N-]N=CC2=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360864	0	38	-2.0	-84.38	349.10	-2.05	-86.43
CC1(NC(=O)C2=CC(=O)N[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360946	0	37	-2.0	-90.38	344.88	-4.20	-94.58
CC1(NC(=O)C(=O)[PH](C)(C)[O-])CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025360950	0	42	-2.0	-92.51	378.96	-3.19	-95.70
CC1(NC(=O)C(=O)[PH](C)(C)[O-])CN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300025360950	1	42	-2.0	-92.51	378.96	-3.19	-95.70
CC1(NC(=O)CCC2=NNC(=O)[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360975	0	42	-2.0	-93.08	380.59	-4.08	-97.16
CC1(NC(=O)C2=CC=CN([O-])C2=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025360979	0	40	-2.0	-105.56	365.38	0.03	-105.53
CC1SC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300025361004	0	39	-2.0	-99.60	371.65	-4.09	-103.69
CC1=C([O-])N=C(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025361004	1	39	-2.0	-99.60	371.65	-4.09	-103.69
CC1(NC(=O)C2=CC(=O)C=C(Cl)N2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361015	0	39	-2.0	-87.12	375.04	-0.91	-88.03
CC1(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361015	1	39	-2.0	-87.12	375.04	-0.91	-88.03
CC1(NC(=O)C2=CC(=O)N([O-])C=C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361027	0	40	-2.0	-106.21	367.89	-0.13	-106.34
CC1(NC(=O)C2=CC=CC(=O)N2[O-])CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361056	0	40	-2.0	-116.80	364.98	0.77	-116.03
CC1(NC(=O)C[N-]C(=O)C(F)(F)F)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361157	0	39	-2.0	-88.75	374.68	-4.40	-93.15
CC1(NC(=O)CC2=C([O-])N=C(N)S2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361158	0	41	-2.0	-111.25	385.90	-5.23	-116.48
CC1(NC(=O)CC2=NC([O-])=CS2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361195	0	39	-2.0	-109.40	371.09	-4.36	-113.76
CC1(NC(=O)CN2N=CC(=O)[N-]C2=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361218	0	41	-2.0	-100.75	380.59	-5.80	-106.55
CC1=CC(=O)C(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025361394	0	41	-2.0	-93.14	373.33	-0.57	-93.71
CC1(NC(=O)C2=NNC(=O)[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361407	0	36	-2.0	-93.74	339.39	-5.66	-99.40
CC1(NC(=O)C2=CN=C(C=N[O-])S2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025361493	0	39	-2.0	-101.90	380.27	-2.61	-104.51
COC1=NC(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC(=O)[N-]1	REAL300025361505	0	42	-2.0	-94.27	385.59	-6.18	-100.45
CN1[N-]C(C(=O)NC2(C)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025361630	0	40	-2.0	-92.80	367.62	-2.49	-95.29
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025361882	1	39	-2.0	-100.96	354.02	-0.67	-101.63
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300025362003	0	38	-2.0	-94.48	353.64	-6.22	-100.70
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300025362162	0	40	-2.0	-95.21	370.35	-4.62	-99.83
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300025363468	1	40	-2.0	-99.05	374.17	0.97	-98.08
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300025363493	1	41	-2.0	-91.13	377.80	-0.85	-91.98
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025363592	1	36	-2.0	-93.92	337.52	-4.71	-98.63
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300025363658	0	39	-2.0	-89.78	374.65	-4.41	-94.19
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300025363659	0	41	-2.0	-110.79	386.23	-5.16	-115.95
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300025363668	0	40	-2.0	-90.11	377.92	-0.73	-90.84
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300025363681	1	40	-2.0	-94.92	365.11	-1.01	-95.93
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300025363687	0	39	-2.0	-93.48	362.38	-1.61	-95.09
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300025363693	1	41	-2.0	-96.81	377.13	-0.72	-97.53
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300025363696	0	39	-2.0	-94.86	367.32	-0.87	-95.73
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300025363712	0	41	-2.0	-100.11	380.93	-5.75	-105.86
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025363790	0	38	-2.0	-91.93	345.15	-1.51	-93.44
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300025363799	0	40	-2.0	-106.79	364.86	0.31	-106.48
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300025363885	1	40	-2.0	-105.45	365.12	-1.09	-106.54
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025363983	0	37	-2.0	-91.38	342.36	-4.16	-95.54
CC1(NC(=O)CSC2=NC(=O)NN2)CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300025363989	0	42	-2.0	-97.67	376.76	-3.27	-100.94
CC1(NC(=O)CSC2=NC(=O)[N-]N2)CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300025363989	1	42	-2.0	-97.67	376.76	-3.27	-100.94
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300025364075	0	40	-2.0	-106.57	362.94	-0.57	-107.14
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025364099	0	36	-2.0	-93.52	337.11	-5.17	-98.69
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C(O)C=CC=C2Cl)C1	REAL300025364101	0	40	-2.0	-94.56	380.88	-0.34	-94.90
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300025364101	1	40	-2.0	-94.56	380.88	-0.34	-94.90
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300025364105	0	40	-2.0	-119.03	371.30	-0.28	-119.31
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300025364134	0	40	-2.0	-100.16	377.74	-0.75	-100.91
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300025364134	1	40	-2.0	-100.16	377.74	-0.75	-100.91
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1	REAL300025364217	0	40	-2.0	-98.74	366.14	-4.70	-103.44
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300025364264	0	40	-2.0	-92.60	372.96	-0.57	-93.17
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300025364269	1	40	-2.0	-98.47	363.85	0.52	-97.95
CC1=CC=NC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300025364332	1	42	-2.0	-100.88	374.36	0.12	-100.76
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300025364446	0	40	-2.0	-120.24	371.23	1.41	-118.83
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300025364550	0	39	-2.0	-89.59	372.34	-1.77	-91.36
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300025364587	1	40	-2.0	-93.87	373.67	-0.56	-94.43
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300025364598	0	39	-2.0	-108.23	371.42	-4.28	-112.51
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300025364613	0	40	-2.0	-95.77	371.39	-0.72	-96.49
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300025364615	0	42	-2.0	-94.64	386.36	-3.71	-98.35
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300025364616	0	40	-2.0	-101.06	364.89	0.39	-100.67
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(C)(NC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025364646	0	43	-2.0	-98.56	390.81	-0.17	-98.73
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300025364732	0	40	-2.0	-96.70	370.39	-1.02	-97.72
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300025364738	0	40	-2.0	-101.58	374.66	0.78	-100.80
CC1=CC(=O)C(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025364766	0	41	-2.0	-94.43	370.76	-0.45	-94.88
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300025364791	0	40	-2.0	-118.26	360.12	0.36	-117.90
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300025364815	0	40	-2.0	-97.17	381.00	-2.57	-99.74
CN1N=C(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025364859	0	39	-2.0	-97.50	359.75	-3.95	-101.45
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300025364906	0	41	-2.0	-96.51	381.99	-2.74	-99.25
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300025364906	1	41	-2.0	-96.51	381.99	-2.74	-99.25
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300025364915	0	41	-2.0	-95.40	378.59	0.73	-94.67
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300025364997	0	40	-2.0	-94.94	376.40	-2.88	-97.82
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300025365048	0	40	-2.0	-101.19	363.20	-1.09	-102.28
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300025365048	1	40	-2.0	-101.19	363.20	-1.09	-102.28
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C(Cl)C=C2O)C1	REAL300025365066	0	40	-2.0	-100.85	375.21	0.83	-100.02
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300025365066	1	40	-2.0	-100.85	375.21	0.83	-100.02
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300025365131	0	38	-2.0	-96.97	355.15	-7.02	-103.99
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300025365131	1	38	-2.0	-89.64	355.77	-6.11	-95.75
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300025365185	1	40	-2.0	-101.17	369.44	-3.73	-104.90
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300025365218	0	40	-2.0	-104.82	370.34	-1.05	-105.87
COC1=NC(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC(=O)[N-]1	REAL300025365260	0	42	-2.0	-94.65	381.39	-5.87	-100.52
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300025365269	0	39	-2.0	-96.99	370.23	-0.05	-97.04
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300025365307	0	40	-2.0	-97.30	373.00	-0.60	-97.90
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300025365315	0	39	-2.0	-99.78	350.07	-1.30	-101.08
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025365321	0	36	-2.0	-96.31	337.29	-3.85	-100.16
CC1=C([O-])N=C(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025365343	1	39	-2.0	-101.36	369.02	-3.75	-105.11
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300025365434	1	42	-2.0	-92.21	379.66	-0.99	-93.20
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300025365451	0	39	-2.0	-102.88	375.84	-2.98	-105.86
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300025365471	1	39	-2.0	-87.77	372.05	-0.74	-88.51
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300025365491	0	40	-2.0	-91.31	363.07	-5.47	-96.78
CCN1[N-]C(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025365547	0	43	-2.0	-94.36	386.91	-1.52	-95.88
CN1[N-]C(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025365565	0	40	-2.0	-93.71	365.18	-2.46	-96.17
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300025365701	1	40	-2.0	-96.45	363.16	-1.05	-97.50
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300025365744	0	40	-2.0	-96.16	369.37	-0.98	-97.14
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300025365749	0	39	-2.0	-98.08	366.63	-0.84	-98.92
CC1=C(CC(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)N(C)[N-]1	REAL300025365764	0	46	-2.0	-96.09	408.23	-1.17	-97.26
CC1=CN=C(C(=O)N2CC(C)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300025365799	1	42	-2.0	-102.39	375.49	0.07	-102.32
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300025365819	0	37	-2.0	-100.06	349.60	-2.04	-102.10
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300025365835	0	40	-2.0	-105.32	362.55	-0.60	-105.92
CC1(NC(=O)C2=NC(=O)[N-]C(=O)N2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365972	0	38	-2.0	-95.49	358.01	-7.26	-102.75
CC1(NC(=O)C2=NC(=O)NC(=O)[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025365972	1	38	-2.0	-88.26	358.66	-6.49	-94.75
CC1(NC(=O)CN2[N-]C(=O)C=CC2=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366091	0	42	-2.0	-94.40	386.67	-3.62	-98.02
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366097	0	36	-2.0	-95.12	339.63	-3.72	-98.84
CC1(NC(=O)C2=CN([O-])C(=O)NC2=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025366106	0	40	-2.0	-90.89	370.64	-2.49	-93.38
CC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=COC(=O)[N-]1	REAL300025366431	1	45	-2.0	-99.81	382.46	-2.80	-102.61
CC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC(=O)N[N-]1	REAL300025366498	0	46	-2.0	-98.68	387.28	-1.82	-100.50
CC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=NC(=O)N[N-]1	REAL300025366552	0	45	-2.0	-99.90	381.88	-3.12	-103.02
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CC1(C)CCN(C(=O)C2=NC(=O)N[N-]2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025366962	0	45	-2.0	-90.61	378.72	-2.27	-92.88
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O=C(CSC1=NNC(=O)[N-]1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300025370355	0	43	-2.0	-94.99	371.66	-1.45	-96.44
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O=C(CSC1=NNC(=O)[N-]1)N1CCCCC(CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300025370950	0	45	-2.0	-96.56	387.52	-2.65	-99.21
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O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025371358	0	46	-2.0	-88.83	390.26	-1.14	-89.97
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025371368	0	45	-2.0	-86.88	384.82	-1.78	-88.66
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025371513	0	45	-2.0	-92.94	384.61	-1.22	-94.16
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300025371652	0	45	-2.0	-96.89	387.64	-0.88	-97.77
C[C@H](NC(=O)C1=NNC(=O)[N-]C1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372367	0	41	-2.0	-92.85	381.51	-5.27	-98.12
C[C@H](NC(=O)CN1C(=O)[N-]NC1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372415	0	43	-2.0	-94.08	395.64	-3.60	-97.68
C[C@H](NC(=O)C1=CN([O-])C(=O)C=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372755	0	43	-2.0	-105.62	391.53	0.70	-104.92
C[C@H](NC(=O)C1=CC(=O)NC([O-])=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372830	0	43	-2.0	-87.78	393.05	-4.02	-91.80
C[C@H](NC(=O)C1=COC(=O)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372841	1	39	-2.0	-88.35	365.43	-4.27	-92.62
CCN1[N-]C(C(=O)N[C@@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025372946	0	46	-2.0	-91.41	414.50	-0.54	-91.95
C[C@H](NC(=O)C1=NN(C)C(=O)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025372972	0	42	-2.0	-93.85	386.18	-3.18	-97.03
C[C@H](NC(=O)C1=C[N-]N=CC1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373024	0	41	-2.0	-79.63	373.11	-1.23	-80.86
C[C@H](NC(=O)C1=CC(=O)N[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373082	0	40	-2.0	-88.09	369.95	-3.19	-91.28
C[C@H](NC(=O)C(=O)[PH](C)(C)[O-])C1CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025373087	0	45	-2.0	-90.44	402.93	-2.27	-92.71
C[C@H](NC(=O)C(=O)[PH](C)(C)[O-])C1CN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300025373087	1	45	-2.0	-90.44	402.93	-2.27	-92.71
C[C@H](NC(=O)CCC1=NNC(=O)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373105	0	45	-2.0	-92.40	406.12	-2.99	-95.39
C[C@H](NC(=O)C1=CC=CN([O-])C1=O)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373107	0	43	-2.0	-98.59	389.09	0.84	-97.75
C[C@H](NC(=O)C1=NC(=O)C(C)S1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373126	0	42	-2.0	-95.00	396.49	-3.08	-98.08
CC1=C([O-])N=C(C(=O)N[C@@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025373126	1	42	-2.0	-95.00	396.49	-3.08	-98.08
C[C@H](NC(=O)C1=CC(=O)N([O-])C=C1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373140	0	43	-2.0	-106.18	392.98	0.88	-105.30
C[C@H](NC(=O)C1=CC=CC(=O)N1[O-])C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373161	0	43	-2.0	-119.49	389.84	1.97	-117.52
C[C@H](NC(=O)CC1=NC([O-])=CS1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373262	0	42	-2.0	-108.92	396.48	-3.28	-112.20
CC1=CC(=O)C(C(=O)N[C@@H](C)C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025373400	0	44	-2.0	-90.27	397.57	0.39	-89.88
C[C@H](NC(=O)C1=NC(=O)N[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373410	0	39	-2.0	-88.42	364.54	-4.49	-92.91
C[C@H](NC(=O)C1=CC(=O)N(C)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025373576	0	43	-2.0	-90.04	391.67	-1.68	-91.72
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025373826	1	42	-2.0	-100.95	378.31	0.20	-100.75
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300025373915	0	41	-2.0	-93.88	377.92	-5.44	-99.32
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300025374001	0	43	-2.0	-95.80	395.94	-3.70	-99.50
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025374785	1	39	-2.0	-88.08	363.29	-3.84	-91.92
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300025374847	1	43	-2.0	-92.38	390.17	0.08	-92.30
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300025374850	0	42	-2.0	-88.92	387.88	-0.62	-89.54
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300025374898	1	45	-2.0	-98.10	405.89	-3.53	-101.63
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025374907	0	41	-2.0	-92.02	370.88	-0.52	-92.54
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300025374914	0	43	-2.0	-104.50	388.82	1.28	-103.22
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300025374969	1	43	-2.0	-102.30	389.06	-0.15	-102.45
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025375033	0	40	-2.0	-89.92	366.66	-3.39	-93.31
C[C@H](NC(=O)CSC1=NC(=O)NN1)C1CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300025375038	0	45	-2.0	-93.54	400.73	-2.40	-95.94
C[C@H](NC(=O)CSC1=NC(=O)[N-]N1)C1CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300025375038	1	45	-2.0	-93.54	400.73	-2.40	-95.94
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300025375083	0	43	-2.0	-105.70	387.21	0.20	-105.50
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025375097	0	39	-2.0	-91.38	361.41	-4.42	-95.80
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300025375101	0	43	-2.0	-116.07	396.77	0.72	-115.35
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1	REAL300025375173	0	43	-2.0	-97.68	390.43	-3.83	-101.51
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300025375197	1	43	-2.0	-97.04	389.01	1.28	-95.76
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C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300025375371	0	42	-2.0	-110.35	396.47	-3.29	-113.64
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300025375381	0	43	-2.0	-100.42	396.84	0.27	-100.15
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300025375382	0	43	-2.0	-101.67	389.96	1.49	-100.18
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C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300025375481	0	43	-2.0	-119.13	384.29	1.30	-117.83
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300025375523	0	42	-2.0	-96.03	384.04	-3.18	-99.21
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300025375636	1	43	-2.0	-100.34	387.94	-0.30	-100.64
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300025375681	0	41	-2.0	-85.55	381.21	-5.11	-90.66
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300025375681	1	41	-2.0	-85.55	381.21	-5.11	-90.66
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CN=C(N)NC2=O)C1	REAL300025375715	0	43	-2.0	-99.67	394.92	-2.72	-102.39
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300025375715	1	43	-2.0	-99.67	394.92	-2.72	-102.39
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025375795	0	39	-2.0	-92.36	363.12	-2.91	-95.27
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(=O)C(C)S2)C1	REAL300025375810	0	42	-2.0	-98.79	393.30	-3.01	-101.80
CC1=C([O-])N=C(C(=O)N2CC([C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025375810	1	42	-2.0	-98.79	393.30	-3.01	-101.80
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300025375901	0	43	-2.0	-87.71	388.75	-4.57	-92.28
CCN1[N-]C(C(=O)N2CC([C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025375939	0	46	-2.0	-92.56	412.65	-0.61	-93.17
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300025375955	0	43	-2.0	-91.96	390.56	-1.46	-93.42
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=C(O)C(F)=C2)C1	REAL300025376035	0	43	-2.0	-95.18	387.90	-0.26	-95.44
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300025376035	1	43	-2.0	-95.18	387.90	-0.26	-95.44
CC1=CN=C(C(=O)N2CC([C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2)C(O)=C1	REAL300025376090	0	45	-2.0	-102.35	399.77	0.84	-101.51
CC1=CN=C(C(=O)N2CC([C@H](C)NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300025376090	1	45	-2.0	-102.35	399.77	0.84	-101.51
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC([O-])=CS2)C1	REAL300025376102	0	40	-2.0	-99.68	373.75	-1.19	-100.87
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300025376113	0	43	-2.0	-105.27	388.25	0.32	-104.95
C[C@H](NC(=O)C1=NC(=O)[N-]C(=O)N1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025376207	0	41	-2.0	-85.11	384.03	-5.58	-90.69
C[C@H](NC(=O)C1=NC(=O)NC(=O)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025376207	1	41	-2.0	-85.11	384.03	-5.58	-90.69
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025376306	0	39	-2.0	-92.63	364.69	-2.70	-95.33
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=CN([O-])C(=O)C=C2)[C@@H](F)C1	REAL300025377694	0	40	-2.0	-104.93	371.08	0.34	-104.59
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=CC(=O)NC([O-])=C2)[C@@H](F)C1	REAL300025377757	0	40	-2.0	-87.89	371.44	-4.55	-92.44
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=COC(=O)[N-]2)[C@@H](F)C1	REAL300025377765	1	36	-2.0	-88.04	344.37	-4.71	-92.75
CCN1[N-]C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)=CC1=O	REAL300025377856	0	43	-2.0	-91.46	393.65	-1.02	-92.48
CN1N=C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)[N-]C1=O	REAL300025377875	0	39	-2.0	-94.25	366.45	-3.52	-97.77
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=C[N-]N=CC2=O)[C@@H](F)C1	REAL300025377916	0	38	-2.0	-83.06	352.67	-1.58	-84.64
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=CC(=O)N[N-]2)[C@@H](F)C1	REAL300025377963	0	37	-2.0	-88.23	349.11	-3.66	-91.89
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@@H]1F	REAL300025377967	0	42	-2.0	-90.30	382.22	-2.90	-93.20
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CN(C(=O)CSC2=NC(=O)[N-]N2)C[C@@H]1F	REAL300025377967	1	42	-2.0	-90.30	382.22	-2.90	-93.20
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=CC=CN([O-])C2=O)[C@@H](F)C1	REAL300025377984	0	40	-2.0	-101.21	369.27	0.57	-100.64
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=CC(=O)N([O-])C=C2)[C@@H](F)C1	REAL300025378009	0	40	-2.0	-104.52	372.12	0.40	-104.12
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=CC=CC(=O)N2[O-])[C@@H](F)C1	REAL300025378029	0	40	-2.0	-117.53	369.19	1.41	-116.12
CC1=CC(=O)C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)=N[N-]1	REAL300025378228	0	41	-2.0	-91.81	377.82	0.13	-91.68
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=NC(=O)N[N-]2)[C@@H](F)C1	REAL300025378235	0	36	-2.0	-87.84	343.81	-5.01	-92.85
CN1[N-]C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2F)=CC1=O	REAL300025378376	0	40	-2.0	-94.19	372.79	-1.92	-96.11
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@@H]1F	REAL300025378626	1	39	-2.0	-103.75	358.45	0.16	-103.59
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@@H]1F	REAL300025379415	1	36	-2.0	-86.24	340.37	-3.66	-89.90
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2F)C[C@@H]1F	REAL300025379466	1	40	-2.0	-91.44	370.07	-0.55	-91.99
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC([O-])=CC(=O)O2)C[C@@H]1F	REAL300025379469	0	39	-2.0	-89.56	366.82	-1.09	-90.65
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@@H]1F	REAL300025379517	0	38	-2.0	-90.18	359.28	-1.96	-92.14
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=CC(F)=C2[O-])C[C@@H]1F	REAL300025379524	0	40	-2.0	-111.91	368.42	0.74	-111.17
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=CC([O-])=C2F)C[C@@H]1F	REAL300025379571	1	40	-2.0	-100.89	369.28	-0.50	-101.39
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@@H]1F	REAL300025379628	0	37	-2.0	-89.71	344.27	-3.45	-93.16
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H](NC(=O)CSC2=NC(=O)NN2)[C@@H](F)C1	REAL300025379632	0	42	-2.0	-98.26	385.55	-2.93	-101.19
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H](NC(=O)CSC2=NC(=O)[N-]N2)[C@@H](F)C1	REAL300025379632	1	42	-2.0	-98.26	385.55	-2.93	-101.19
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@@H]1F	REAL300025379670	0	40	-2.0	-100.15	376.78	0.18	-99.97
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@@H]1F	REAL300025379683	0	36	-2.0	-86.89	340.04	-4.30	-91.19
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@@H]1F	REAL300025379686	0	40	-2.0	-107.53	376.28	0.23	-107.30
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(F)=CC=C2O)C[C@@H]1F	REAL300025379768	0	40	-2.0	-95.70	369.26	0.82	-94.88
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])C[C@@H]1F	REAL300025379768	1	40	-2.0	-95.70	369.26	0.82	-94.88
CC1=CC=NC(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)=C1O	REAL300025379807	0	42	-2.0	-103.49	378.79	0.85	-102.64
CC1=CC=NC(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)=C1[O-]	REAL300025379807	1	42	-2.0	-103.49	378.79	0.85	-102.64
CC1=CC(=O)C(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)=N[N-]1	REAL300025380001	0	41	-2.0	-93.94	375.23	0.25	-93.69
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@@H]1F	REAL300025380013	0	40	-2.0	-115.60	375.32	-0.04	-115.64
CN1N=C(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)[N-]C1=O	REAL300025380046	0	39	-2.0	-96.00	362.73	-3.37	-99.37
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=C(F)C(O)=C2)C[C@@H]1F	REAL300025380135	0	40	-2.0	-90.12	366.54	-0.71	-90.83
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2)C[C@@H]1F	REAL300025380135	1	40	-2.0	-90.12	366.54	-0.71	-90.83
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300025380267	0	36	-2.0	-90.90	341.12	-3.44	-94.34
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@@H]1F	REAL300025380356	0	40	-2.0	-86.29	376.75	-4.74	-91.03
CCN1[N-]C(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)=CC1=O	REAL300025380387	0	43	-2.0	-93.06	391.37	-0.91	-93.97
CN1[N-]C(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)=CC1=O	REAL300025380400	0	40	-2.0	-89.58	368.72	-1.77	-91.35
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=C(O)C(F)=C2)C[C@@H]1F	REAL300025380472	0	40	-2.0	-92.26	366.50	-0.68	-92.94
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@@H]1F	REAL300025380472	1	40	-2.0	-92.26	366.50	-0.68	-92.94
CC1=CN=C(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)C(O)=C1	REAL300025380520	0	42	-2.0	-102.34	377.93	0.87	-101.47
CC1=CN=C(C(=O)N2C[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)[C@@H](F)C2)C([O-])=C1	REAL300025380520	1	42	-2.0	-102.34	377.93	0.87	-101.47
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@@H]1F	REAL300025380531	0	37	-2.0	-100.72	352.73	-1.64	-102.36
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@@H]1F	REAL300025380540	0	40	-2.0	-101.19	376.74	0.26	-100.93
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]([N-]C(=O)C(F)(F)C(F)F)[C@@H](F)C1	REAL300025380590	0	35	-2.0	-84.62	343.41	-1.43	-86.05
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300025380700	0	36	-2.0	-92.47	343.85	-3.17	-95.64
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300025381924	0	41	-2.0	-92.63	372.88	-4.95	-97.58
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CN1C(=O)[N-]NC1=O	REAL300025381972	0	43	-2.0	-95.89	386.32	-3.38	-99.27
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300025382312	0	43	-2.0	-105.57	384.06	1.14	-104.43
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300025382387	0	43	-2.0	-90.78	383.71	-3.85	-94.63
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=COC(=O)[N-]1	REAL300025382398	1	39	-2.0	-88.26	356.50	-3.91	-92.17
CCN1[N-]C(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)=CC1=O	REAL300025382503	0	46	-2.0	-91.39	406.00	-0.26	-91.65
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300025382529	0	42	-2.0	-94.87	378.55	-2.71	-97.58
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300025382581	0	41	-2.0	-85.13	364.71	-0.85	-85.98
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300025382639	0	40	-2.0	-87.91	361.43	-2.90	-90.81
C[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@@H]1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300025382644	0	45	-2.0	-94.36	395.58	-1.93	-96.29
C[C@@H]1CN(C(=O)CSC2=NC(=O)[N-]N2)C[C@@H]1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300025382644	1	45	-2.0	-94.36	395.58	-1.93	-96.29
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC=CN([O-])C1=O	REAL300025382664	0	43	-2.0	-104.03	380.89	1.21	-102.82
CC1SC(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)=NC1=O	REAL300025382683	0	42	-2.0	-99.14	387.18	-2.83	-101.97
CC1=C([O-])N=C(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)S1	REAL300025382683	1	42	-2.0	-99.14	387.18	-2.83	-101.97
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300025382697	0	43	-2.0	-105.93	384.43	1.13	-104.80
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300025382718	0	43	-2.0	-119.71	380.86	2.11	-117.60
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1=NC([O-])=CS1	REAL300025382819	0	42	-2.0	-105.62	387.08	-3.05	-108.67
CC1=CC(=O)C(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)=N[N-]1	REAL300025382957	0	44	-2.0	-95.54	389.21	0.78	-94.76
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300025382967	0	39	-2.0	-88.27	356.01	-4.23	-92.50
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300025383133	0	43	-2.0	-90.93	384.15	-1.23	-92.16
C[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383383	1	42	-2.0	-101.09	369.83	0.90	-100.19
C[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383472	0	41	-2.0	-96.37	368.94	-4.88	-101.25
C[C@@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025383558	0	43	-2.0	-93.52	387.01	-3.32	-96.84
C[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384342	1	39	-2.0	-95.75	353.32	-3.09	-98.84
C[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2F)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384404	1	43	-2.0	-92.74	382.39	0.27	-92.47
C[C@@H]1CN(C(=O)C2=CC([O-])=CC(=O)O2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384407	0	42	-2.0	-94.13	378.19	-0.40	-94.53
C[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384464	0	41	-2.0	-88.17	371.88	-1.17	-89.34
C[C@@H]1CN(C(=O)C2=CC=CC(F)=C2[O-])C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384471	0	43	-2.0	-116.04	376.43	1.67	-114.37
C[C@@H]1CN(C(=O)C2=CC=CC([O-])=C2F)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384526	1	43	-2.0	-111.91	376.76	0.05	-111.86
C[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384590	0	40	-2.0	-91.98	358.17	-2.85	-94.83
C[C@@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])C[C@@H]1NC(=O)CSC1=NC(=O)NN1	REAL300025384595	0	45	-2.0	-94.24	392.55	-2.02	-96.26
C[C@@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])C[C@@H]1NC(=O)CSC1=NC(=O)[N-]N1	REAL300025384595	1	45	-2.0	-94.24	392.55	-2.02	-96.26
C[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384640	0	43	-2.0	-107.15	388.23	0.89	-106.26
C[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384654	0	39	-2.0	-94.48	353.01	-3.67	-98.15
C[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384658	0	43	-2.0	-116.99	382.40	1.30	-115.69
C[C@@H]1CN(C(=O)C2=CC(F)=CC=C2O)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384754	0	43	-2.0	-101.55	379.82	1.44	-100.11
C[C@@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384754	1	43	-2.0	-101.55	379.82	1.44	-100.11
CC1=CC=NC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300025384795	0	45	-2.0	-101.74	390.14	1.55	-100.19
CC1=CC=NC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300025384795	1	45	-2.0	-101.74	390.14	1.55	-100.19
C[C@@H]1CN(C(=O)CC2=NC([O-])=CS2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025384928	0	42	-2.0	-103.74	387.84	-2.97	-106.71
CC1=CC(=O)C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025385023	0	44	-2.0	-94.94	386.65	1.00	-93.94
C[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385038	0	43	-2.0	-124.22	387.54	0.68	-123.54
C[C@@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385080	0	42	-2.0	-96.81	375.62	-2.63	-99.44
C[C@@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385193	1	43	-2.0	-100.80	380.03	0.09	-100.71
C[C@@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385238	0	41	-2.0	-89.80	371.55	-4.54	-94.34
C[C@@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385238	1	41	-2.0	-89.80	371.55	-4.54	-94.34
C[C@@H]1CN(C(=O)C2=CN=C(N)NC2=O)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385272	0	43	-2.0	-96.89	386.37	-2.48	-99.37
C[C@@H]1CN(C(=O)C2=CN=C(N)[N-]C2=O)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385272	1	43	-2.0	-96.89	386.37	-2.48	-99.37
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385352	0	39	-2.0	-98.26	352.46	-2.63	-100.89
CC1SC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300025385367	0	42	-2.0	-103.02	384.92	-2.23	-105.25
CC1=C([O-])N=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025385367	1	42	-2.0	-103.02	384.92	-2.23	-105.25
C[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385458	0	43	-2.0	-93.37	388.57	-3.99	-97.36
CCN1[N-]C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025385496	0	46	-2.0	-94.52	402.78	-0.19	-94.71
C[C@@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385512	0	43	-2.0	-96.12	380.18	-1.14	-97.26
C[C@@H]1CN(C(=O)C2=CC=C(O)C(F)=C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385592	0	43	-2.0	-100.44	380.02	0.13	-100.31
C[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385592	1	43	-2.0	-100.44	380.02	0.13	-100.31
CC1=CN=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C(O)=C1	REAL300025385647	0	45	-2.0	-102.47	391.28	1.54	-100.93
CC1=CN=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300025385647	1	45	-2.0	-102.47	391.28	1.54	-100.93
C[C@@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385659	0	40	-2.0	-103.12	364.92	-0.91	-104.03
C[C@@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025385670	0	43	-2.0	-107.95	388.54	1.02	-106.93
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025385764	0	41	-2.0	-91.16	374.58	-5.95	-97.11
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025385764	1	41	-2.0	-84.98	375.23	-5.20	-90.18
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300025385863	0	39	-2.0	-92.57	356.16	-2.46	-95.03
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=COC(=O)[N-]1	REAL300025387791	1	45	-2.0	-94.09	383.73	-3.20	-97.29
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=CC(=O)N[N-]1	REAL300025387869	0	46	-2.0	-90.11	388.56	-2.21	-92.32
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=NC(=O)N[N-]1	REAL300025387937	0	45	-2.0	-92.96	383.15	-3.50	-96.46
CC1CCN(C(=O)C2=COC(=O)[N-]2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025388293	1	45	-2.0	-84.72	380.39	-1.96	-86.68
CC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025388345	0	46	-2.0	-87.69	385.47	-2.00	-89.69
CC1CCN(C(=O)C2=NC(=O)N[N-]2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025388355	0	45	-2.0	-85.44	380.00	-2.66	-88.10
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025388500	0	45	-2.0	-91.51	380.17	-2.06	-93.57
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300025388639	0	45	-2.0	-94.56	383.30	-1.73	-96.29
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCC21CNC(=O)C1=COC(=O)[N-]1	REAL300025388969	1	43	-2.0	-94.71	377.17	-3.15	-97.86
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCC21CNC(=O)C1=CC(=O)N[N-]1	REAL300025389051	0	44	-2.0	-94.59	382.00	-2.17	-96.76
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCC21CNC(=O)C1=NC(=O)N[N-]1	REAL300025389122	0	43	-2.0	-94.57	376.59	-3.45	-98.02
O=C(CSC1=NNC(=O)[N-]1)NCC12CCC1CCN2C(=O)C1=COC(=O)[N-]1	REAL300025389455	1	43	-2.0	-91.00	374.21	-2.10	-93.10
O=C(CSC1=NNC(=O)[N-]1)NCC12CCC1CCN2C(=O)C1=CC(=O)N[N-]1	REAL300025389507	0	44	-2.0	-96.21	378.64	-1.97	-98.18
O=C(CSC1=NNC(=O)[N-]1)NCC12CCC1CCN2C(=O)C1=NC(=O)N[N-]1	REAL300025389517	0	43	-2.0	-92.35	373.80	-2.62	-94.97
O=C(CSC1=NNC(=O)[N-]1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300025389637	0	43	-2.0	-98.62	374.45	-1.67	-100.29
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300025389767	0	43	-2.0	-97.48	376.74	-1.68	-99.16
CC(NC(=O)C1=COC(=O)[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390480	1	43	-2.0	-87.25	381.51	-4.96	-92.21
CC(NC(=O)C1=CC(=O)N[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390546	0	44	-2.0	-88.00	387.61	-3.50	-91.50
CC(NC(=O)C1=NC(=O)N[N-]1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025390603	0	43	-2.0	-86.84	380.93	-5.27	-92.11
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=COC(=O)[N-]2)CCO1	REAL300025390913	1	43	-2.0	-91.88	380.25	-3.24	-95.12
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)N[N-]2)CCO1	REAL300025390959	0	44	-2.0	-88.12	384.73	-3.33	-91.45
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=NC(=O)N[N-]2)CCO1	REAL300025390968	0	43	-2.0	-83.49	378.06	-4.39	-87.88
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300025391087	0	43	-2.0	-94.28	379.67	-3.34	-97.62
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300025391201	0	43	-2.0	-91.80	382.36	-3.02	-94.82
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@@H](CNC(=O)C3=COC(=O)[N-]3)[C@@H]2C1	REAL300025391530	1	43	-2.0	-85.79	385.08	-3.19	-88.98
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)N[N-]3)[C@@H]2C1	REAL300025391612	0	44	-2.0	-86.68	390.37	-2.17	-88.85
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@@H](CNC(=O)C3=NC(=O)N[N-]3)[C@@H]2C1	REAL300025391683	0	43	-2.0	-85.59	384.31	-3.52	-89.11
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H]2CN(C(=O)C3=COC(=O)[N-]3)C[C@@H]12	REAL300025392052	1	43	-2.0	-88.35	381.58	-2.34	-90.69
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)N[N-]3)C[C@@H]12	REAL300025392106	0	44	-2.0	-87.98	386.42	-2.13	-90.11
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H]2CN(C(=O)C3=NC(=O)N[N-]3)C[C@@H]12	REAL300025392119	0	43	-2.0	-87.99	381.16	-2.93	-90.92
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300025392268	0	43	-2.0	-93.72	382.40	-1.76	-95.48
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300025392414	0	43	-2.0	-91.14	385.11	-1.68	-92.82
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCCC2NC(=O)C1=COC(=O)[N-]1	REAL300025392710	1	43	-2.0	-88.43	385.76	-3.06	-91.49
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)N[N-]1	REAL300025392781	0	44	-2.0	-87.32	390.60	-2.08	-89.40
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCCC2NC(=O)C1=NC(=O)N[N-]1	REAL300025392837	0	43	-2.0	-88.03	385.19	-3.36	-91.39
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC12CN(C(=O)C1=COC(=O)[N-]1)C2	REAL300025393197	1	43	-2.0	-99.38	382.72	-2.40	-101.78
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC12CN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300025393251	0	44	-2.0	-100.00	387.55	-1.85	-101.85
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC12CN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300025393264	0	43	-2.0	-108.18	381.91	-2.62	-110.80
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300025393413	0	43	-2.0	-105.12	382.57	-1.52	-106.64
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300025393552	0	43	-2.0	-91.60	385.33	-1.59	-93.19
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300025394265	0	41	-2.0	-92.63	372.88	-4.95	-97.58
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CN1C(=O)[N-]NC1=O	REAL300025394313	0	43	-2.0	-95.89	386.32	-3.38	-99.27
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300025394653	0	43	-2.0	-105.57	384.06	1.14	-104.43
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300025394728	0	43	-2.0	-90.78	383.71	-3.85	-94.63
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=COC(=O)[N-]1	REAL300025394739	1	39	-2.0	-88.26	356.50	-3.91	-92.17
CCN1[N-]C(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)=CC1=O	REAL300025394844	0	46	-2.0	-91.39	406.00	-0.26	-91.65
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300025394870	0	42	-2.0	-94.87	378.55	-2.71	-97.58
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300025394922	0	41	-2.0	-85.13	364.71	-0.85	-85.98
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300025394980	0	40	-2.0	-87.91	361.43	-2.90	-90.81
C[C@@H]1CN(C(=O)CSC2=NC(=O)NN2)C[C@@H]1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300025394985	0	45	-2.0	-94.36	395.58	-1.93	-96.29
C[C@@H]1CN(C(=O)CSC2=NC(=O)[N-]N2)C[C@@H]1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300025394985	1	45	-2.0	-94.36	395.58	-1.93	-96.29
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CCC1=NNC(=O)[N-]1	REAL300025395003	0	45	-2.0	-92.87	397.43	-2.75	-95.62
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC=CN([O-])C1=O	REAL300025395005	0	43	-2.0	-104.03	380.89	1.21	-102.82
CC1SC(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)=NC1=O	REAL300025395024	0	42	-2.0	-99.14	387.18	-2.83	-101.97
CC1=C([O-])N=C(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)S1	REAL300025395024	1	42	-2.0	-99.14	387.18	-2.83	-101.97
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300025395038	0	43	-2.0	-105.93	384.43	1.13	-104.80
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300025395059	0	43	-2.0	-119.71	380.86	2.11	-117.60
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)CC1=NC([O-])=CS1	REAL300025395160	0	42	-2.0	-105.62	387.08	-3.05	-108.67
CC1=CC(=O)C(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@H]2C)=N[N-]1	REAL300025395298	0	44	-2.0	-95.54	389.21	0.78	-94.76
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300025395308	0	39	-2.0	-88.27	356.01	-4.23	-92.50
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300025395474	0	43	-2.0	-90.93	384.15	-1.23	-92.16
C[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025395724	1	42	-2.0	-101.09	369.83	0.90	-100.19
C[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025395813	0	41	-2.0	-96.37	368.94	-4.88	-101.25
C[C@@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025395899	0	43	-2.0	-93.52	387.01	-3.32	-96.84
C[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396683	1	39	-2.0	-95.75	353.32	-3.09	-98.84
C[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2F)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396745	1	43	-2.0	-92.74	382.39	0.27	-92.47
C[C@@H]1CN(C(=O)C2=CC([O-])=CC(=O)O2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396748	0	42	-2.0	-94.13	378.19	-0.40	-94.53
C[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396805	0	41	-2.0	-88.17	371.88	-1.17	-89.34
C[C@@H]1CN(C(=O)C2=CC=CC(F)=C2[O-])C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396812	0	43	-2.0	-116.04	376.43	1.67	-114.37
C[C@@H]1CN(C(=O)C2=CC=CC([O-])=C2F)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396867	1	43	-2.0	-111.91	376.76	0.05	-111.86
C[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396931	0	40	-2.0	-91.98	358.17	-2.85	-94.83
C[C@@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])C[C@@H]1NC(=O)CSC1=NC(=O)NN1	REAL300025396936	0	45	-2.0	-94.24	392.55	-2.02	-96.26
C[C@@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])C[C@@H]1NC(=O)CSC1=NC(=O)[N-]N1	REAL300025396936	1	45	-2.0	-94.24	392.55	-2.02	-96.26
C[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396981	0	43	-2.0	-107.15	388.23	0.89	-106.26
C[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396995	0	39	-2.0	-94.48	353.01	-3.67	-98.15
C[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025396999	0	43	-2.0	-116.99	382.40	1.30	-115.69
C[C@@H]1CN(C(=O)C2=CC(F)=CC=C2O)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397095	0	43	-2.0	-101.55	379.82	1.44	-100.11
C[C@@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397095	1	43	-2.0	-101.55	379.82	1.44	-100.11
CC1=CC=NC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300025397136	0	45	-2.0	-101.74	390.14	1.55	-100.19
CC1=CC=NC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300025397136	1	45	-2.0	-101.74	390.14	1.55	-100.19
C[C@@H]1CN(C(=O)CC2=NC([O-])=CS2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397269	0	42	-2.0	-103.74	387.84	-2.97	-106.71
C[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2F)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397279	0	43	-2.0	-104.53	387.72	0.42	-104.11
C[C@@H]1CN(C(=O)C2=CC=C(F)C=C2[O-])C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397280	0	43	-2.0	-96.68	382.16	1.18	-95.50
CC1=CC(=O)C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025397364	0	44	-2.0	-94.94	386.65	1.00	-93.94
C[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397379	0	43	-2.0	-124.22	387.54	0.68	-123.54
C[C@@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397421	0	42	-2.0	-96.81	375.62	-2.63	-99.44
C[C@@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397534	1	43	-2.0	-100.80	380.03	0.09	-100.71
C[C@@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397579	0	41	-2.0	-89.80	371.55	-4.54	-94.34
C[C@@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397579	1	41	-2.0	-89.80	371.55	-4.54	-94.34
C[C@@H]1CN(C(=O)C2=CN=C(N)NC2=O)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397613	0	43	-2.0	-96.89	386.37	-2.48	-99.37
C[C@@H]1CN(C(=O)C2=CN=C(N)[N-]C2=O)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397613	1	43	-2.0	-96.89	386.37	-2.48	-99.37
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397693	0	39	-2.0	-98.26	352.46	-2.63	-100.89
CC1SC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300025397708	0	42	-2.0	-103.02	384.92	-2.23	-105.25
CC1=C([O-])N=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025397708	1	42	-2.0	-103.02	384.92	-2.23	-105.25
C[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397799	0	43	-2.0	-93.37	388.57	-3.99	-97.36
CCN1[N-]C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025397837	0	46	-2.0	-94.52	402.78	-0.19	-94.71
C[C@@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397853	0	43	-2.0	-96.12	380.18	-1.14	-97.26
C[C@@H]1CN(C(=O)C2=CC=C(O)C(F)=C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397933	0	43	-2.0	-100.44	380.02	0.13	-100.31
C[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025397933	1	43	-2.0	-100.44	380.02	0.13	-100.31
CC1=CN=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C(O)=C1	REAL300025397988	0	45	-2.0	-102.47	391.28	1.54	-100.93
CC1=CN=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300025397988	1	45	-2.0	-102.47	391.28	1.54	-100.93
C[C@@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025398000	0	40	-2.0	-103.12	364.92	-0.91	-104.03
C[C@@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025398011	0	43	-2.0	-107.95	388.54	1.02	-106.93
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025398105	0	41	-2.0	-91.16	374.58	-5.95	-97.11
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025398105	1	41	-2.0	-84.98	375.23	-5.20	-90.18
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300025398204	0	39	-2.0	-92.57	356.16	-2.46	-95.03
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CNC(=O)C3=COC(=O)[N-]3)CC12	REAL300025398991	1	43	-2.0	-85.00	380.59	-2.77	-87.77
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CNC(=O)C3=CC(=O)N[N-]3)CC12	REAL300025399073	0	44	-2.0	-86.01	385.09	-1.75	-87.76
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CNC(=O)C3=NC(=O)N[N-]3)CC12	REAL300025399144	0	43	-2.0	-85.06	380.01	-3.06	-88.12
O=C(CSC1=NNC(=O)[N-]1)NCC12CC1N(C(=O)C1=COC(=O)[N-]1)CCC2	REAL300025399477	1	43	-2.0	-89.94	377.49	-1.63	-91.57
O=C(CSC1=NNC(=O)[N-]1)NCC12CC1N(C(=O)C1=CC(=O)N[N-]1)CCC2	REAL300025399529	0	44	-2.0	-88.75	382.43	-1.68	-90.43
O=C(CSC1=NNC(=O)[N-]1)NCC12CC1N(C(=O)C1=NC(=O)N[N-]1)CCC2	REAL300025399539	0	43	-2.0	-89.84	376.76	-2.16	-92.00
O=C(CSC1=NNC(=O)[N-]1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300025399659	0	43	-2.0	-94.09	376.95	-1.42	-95.51
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300025399789	0	43	-2.0	-89.57	379.83	-1.26	-90.83
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300025400504	0	41	-2.0	-95.44	372.21	-5.04	-100.48
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CN1C(=O)[N-]NC1=O	REAL300025400552	0	43	-2.0	-95.62	387.10	-3.31	-98.93
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300025400892	0	43	-2.0	-106.90	383.23	1.12	-105.78
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300025400967	0	43	-2.0	-87.54	384.53	-3.78	-91.32
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=COC(=O)[N-]1	REAL300025400978	1	39	-2.0	-92.49	355.81	-3.95	-96.44
CCN1[N-]C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)=CC1=O	REAL300025401083	0	46	-2.0	-94.97	405.14	-0.31	-95.28
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300025401109	0	42	-2.0	-97.81	377.84	-2.74	-100.55
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300025401161	0	41	-2.0	-80.90	365.55	-0.76	-81.66
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300025401219	0	40	-2.0	-92.31	360.55	-3.03	-95.34
C[C@H]1CN(C(=O)CSC2=NC(=O)[N-]N2)C[C@H]1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300025401224	1	45	-2.0	-103.91	394.70	-1.98	-105.89
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1=CC(=O)N(C)[N-]1	REAL300025401226	0	46	-2.0	-102.45	404.09	-0.60	-103.05
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC=CN([O-])C1=O	REAL300025401244	0	43	-2.0	-98.85	381.59	1.33	-97.52
CC1=C([O-])N=C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)S1	REAL300025401263	1	42	-2.0	-99.19	387.13	-2.83	-102.02
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300025401277	0	43	-2.0	-107.67	383.69	1.08	-106.59
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300025401298	0	43	-2.0	-120.10	381.51	2.13	-117.97
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)CC1=NC([O-])=CS1	REAL300025401399	0	42	-2.0	-111.10	387.97	-2.98	-114.08
CC1=CC(=O)C(C(=O)N[C@@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)C[C@@H]2C)=N[N-]1	REAL300025401537	0	44	-2.0	-91.28	390.18	0.89	-90.39
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300025401547	0	39	-2.0	-92.28	355.18	-4.25	-96.53
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300025401713	0	43	-2.0	-94.18	383.41	-1.24	-95.42
C[C@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025401963	1	42	-2.0	-101.08	369.86	0.90	-100.18
C[C@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402052	0	41	-2.0	-93.74	369.47	-4.87	-98.61
C[C@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402138	0	43	-2.0	-95.90	386.28	-3.45	-99.35
C[C@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402922	1	39	-2.0	-95.75	353.35	-3.09	-98.84
C[C@H]1CN(C(=O)C2=CC=C([O-])C=C2F)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402984	1	43	-2.0	-92.90	382.18	0.29	-92.61
C[C@H]1CN(C(=O)C2=CC([O-])=CC(=O)O2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025402987	0	42	-2.0	-95.47	377.68	-0.38	-95.85
C[C@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403044	0	41	-2.0	-94.26	371.41	-1.19	-95.45
C[C@H]1CN(C(=O)C2=CC=CC(F)=C2[O-])C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403051	0	43	-2.0	-101.83	381.79	1.30	-100.53
C[C@H]1CN(C(=O)C2=CC=CC([O-])=C2F)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403106	1	43	-2.0	-99.52	382.02	0.28	-99.24
C[C@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403170	0	40	-2.0	-91.30	358.08	-2.78	-94.08
C[C@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])C[C@H]1NC(=O)CSC1=NC(=O)[N-]N1	REAL300025403175	1	45	-2.0	-99.73	391.86	-2.01	-101.74
C[C@H]1CN(C(=O)CC2=CC(=O)N(C)[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403179	0	46	-2.0	-100.62	404.09	-0.63	-101.25
C[C@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403220	0	43	-2.0	-104.35	388.51	0.95	-103.40
C[C@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403234	0	39	-2.0	-93.93	352.99	-3.65	-97.58
C[C@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403238	0	43	-2.0	-112.50	387.94	0.88	-111.62
C[C@H]1CN(C(=O)C2=NC(N)=CC(=O)[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403310	0	43	-2.0	-98.21	381.97	-3.15	-101.36
C[C@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403334	1	43	-2.0	-101.52	379.75	1.45	-100.07
CC1=CC=NC(C(=O)N2C[C@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300025403375	1	45	-2.0	-101.72	390.18	1.55	-100.17
C[C@H]1CN(C(=O)CC2=NC([O-])=CS2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403508	0	42	-2.0	-109.98	387.13	-3.10	-113.08
C[C@H]1CN(C(=O)C2=C([O-])C=CC=C2F)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403518	0	43	-2.0	-98.39	387.70	0.42	-97.97
C[C@H]1CN(C(=O)C2=CC=C(F)C=C2[O-])C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403519	0	43	-2.0	-96.77	381.94	1.31	-95.46
CC1=CC(=O)C(C(=O)N2C[C@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025403603	0	44	-2.0	-94.87	386.62	0.99	-93.88
C[C@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403618	0	43	-2.0	-118.30	387.79	0.77	-117.53
C[C@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403660	0	42	-2.0	-96.89	375.71	-2.64	-99.53
C[C@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403773	1	43	-2.0	-99.97	378.58	0.09	-99.88
C[C@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403818	0	41	-2.0	-89.83	371.58	-4.54	-94.37
C[C@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403818	1	41	-2.0	-89.83	371.58	-4.54	-94.37
C[C@H]1CN(C(=O)C2=CN=C(N)NC2=O)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403852	0	43	-2.0	-100.64	386.18	-2.47	-103.11
C[C@H]1CN(C(=O)C2=CN=C(N)[N-]C2=O)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403852	1	43	-2.0	-100.64	386.18	-2.47	-103.11
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025403932	0	39	-2.0	-96.72	353.26	-2.64	-99.36
CC1SC(C(=O)N2C[C@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300025403947	0	42	-2.0	-102.52	384.89	-2.21	-104.73
CC1=C([O-])N=C(C(=O)N2C[C@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025403947	1	42	-2.0	-102.52	384.89	-2.21	-104.73
C[C@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025404038	0	43	-2.0	-90.07	378.28	-4.35	-94.42
CCN1[N-]C(C(=O)N2C[C@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025404076	0	46	-2.0	-96.81	401.92	-0.20	-97.01
C[C@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025404092	0	43	-2.0	-96.16	380.20	-1.14	-97.30
C[C@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025404172	1	43	-2.0	-96.13	378.54	0.12	-96.01
CC1=CN=C(C(=O)N2C[C@H](C)[C@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300025404227	1	45	-2.0	-103.14	391.27	1.51	-101.63
C[C@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025404239	0	40	-2.0	-103.17	364.73	-0.92	-104.09
C[C@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025404250	0	43	-2.0	-103.28	388.23	0.94	-102.34
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025404344	0	41	-2.0	-88.91	374.38	-5.24	-94.15
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025404344	1	41	-2.0	-88.91	374.38	-5.24	-94.15
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300025404443	0	39	-2.0	-95.85	355.33	-2.47	-98.32
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=COC(=O)[N-]3)C[C@@H]21	REAL300025405177	1	40	-2.0	-106.58	352.79	-1.26	-107.84
CN1N=C(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)[N-]C1=O	REAL300025405264	0	43	-2.0	-115.82	376.04	-1.35	-117.17
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=C[N-]N=CC3=O)C[C@@H]21	REAL300025405296	0	42	-2.0	-100.20	364.04	-0.08	-100.28
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)N[N-]3)C[C@@H]21	REAL300025405330	0	41	-2.0	-107.44	357.60	-1.44	-108.88
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=NC(=O)N[N-]3)C[C@@H]21	REAL300025405499	0	40	-2.0	-107.51	352.39	-2.00	-109.51
CN1[N-]C(C(=O)N2CC[C@H]3CN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]3C2)=CC1=O	REAL300025405586	0	44	-2.0	-110.98	381.59	0.17	-110.81
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=NC=CC=C3[O-])[C@H]2C1	REAL300025405835	1	43	-2.0	-122.78	370.76	1.86	-120.92
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=COC(=O)[N-]3)[C@H]2C1	REAL300025406224	1	40	-2.0	-101.12	354.55	-2.32	-103.44
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=C[N-]N=CC3=O)[C@H]2C1	REAL300025406290	0	42	-2.0	-111.28	362.44	0.96	-110.32
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=CC(=O)N[N-]3)[C@H]2C1	REAL300025406339	0	41	-2.0	-105.69	359.01	-1.65	-107.34
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=NC(=O)N[N-]3)[C@H]2C1	REAL300025406366	0	40	-2.0	-103.75	354.10	-2.76	-106.51
CN1N=C(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)[N-]C1=O	REAL300025406548	0	43	-2.0	-114.71	376.81	-1.53	-116.24
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=CC=NC=C3[O-])[C@H]2C1	REAL300025406657	0	43	-2.0	-124.52	367.34	1.11	-123.41
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300025406660	0	40	-2.0	-108.45	354.03	-1.32	-109.77
CN1[N-]C(C(=O)N2C[C@@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)=CC1=O	REAL300025406738	0	44	-2.0	-108.90	381.81	0.05	-108.85
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=CC([O-])=CS3)[C@H]2C1	REAL300025406810	0	41	-2.0	-117.70	366.32	0.45	-117.25
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300025406932	0	40	-2.0	-115.46	352.75	-1.48	-116.94
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)(NC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300025408982	0	39	-2.0	-99.73	368.53	-9.63	-109.36
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)(NC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300025409289	0	41	-2.0	-106.76	379.86	-3.44	-110.20
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)(NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300025409349	0	41	-2.0	-95.31	380.08	-8.34	-103.65
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)(NC(=O)C2=COC(=O)[N-]2)C1	REAL300025409359	1	37	-2.0	-98.34	352.11	-8.49	-106.83
CCN1[N-]C(C(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025409450	0	44	-2.0	-99.84	401.51	-4.87	-104.71
CN1N=C(C(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025409470	0	40	-2.0	-99.23	374.54	-7.31	-106.54
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)(NC(=O)C2=C[N-]N=CC2=O)C1	REAL300025409511	0	39	-2.0	-89.41	361.15	-5.35	-94.76
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)(NC(=O)C2=CC(=O)N[N-]2)C1	REAL300025409559	0	38	-2.0	-96.52	356.97	-7.52	-104.04
C[PH](C)([O-])C(=O)C(=O)NC1(CO)CN(C(=O)CSC2=NC(=O)NN2)C1	REAL300025409563	0	43	-2.0	-102.85	395.26	-6.70	-109.55
C[PH](C)([O-])C(=O)C(=O)NC1(CO)CN(C(=O)CSC2=NC(=O)[N-]N2)C1	REAL300025409563	1	43	-2.0	-102.85	395.26	-6.70	-109.55
O=C(CCC1=NC(=O)NN1)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409580	0	43	-2.0	-103.59	392.59	-7.86	-111.45
O=C(CCC1=NC(=O)[N-]N1)NC1(CO)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025409580	1	43	-2.0	-103.59	392.59	-7.86	-111.45
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)(NC(=O)C2=CC=CN([O-])C2=O)C1	REAL300025409582	0	41	-2.0	-108.03	373.65	-1.57	-109.60
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)(NC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300025409605	0	41	-2.0	-108.89	379.74	-3.46	-112.35
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)(NC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300025409622	0	41	-2.0	-122.11	376.83	-2.54	-124.65
CC1=CC(=O)C(C(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025409813	0	42	-2.0	-100.30	385.72	-3.78	-104.08
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)(NC(=O)C2=NNC(=O)[N-]2)C1	REAL300025409820	0	37	-2.0	-99.13	351.03	-8.90	-108.03
CN1[N-]C(C(=O)NC2(CO)CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025409950	0	41	-2.0	-95.66	379.96	-5.80	-101.46
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025410200	1	40	-2.0	-108.69	366.12	-3.91	-112.60
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300025410289	0	39	-2.0	-100.42	366.02	-9.54	-109.96
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025411110	1	37	-2.0	-90.41	349.87	-8.07	-98.48
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300025411169	1	41	-2.0	-97.89	377.24	-4.35	-102.24
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300025411172	0	40	-2.0	-91.83	374.67	-4.94	-96.77
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300025411216	1	43	-2.0	-100.51	392.59	-7.86	-108.37
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025411225	0	39	-2.0	-96.67	356.96	-4.67	-101.34
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300025411232	0	41	-2.0	-115.26	376.73	-2.96	-118.22
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300025411282	1	41	-2.0	-111.02	377.00	-4.36	-115.38
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025411342	0	38	-2.0	-92.59	354.68	-7.49	-100.08
C[PH](C)([O-])C(=O)C(=O)N1CC(CO)(NC(=O)CSC2=NC(=O)NN2)C1	REAL300025411347	0	43	-2.0	-98.56	387.65	-6.78	-105.34
C[PH](C)([O-])C(=O)C(=O)N1CC(CO)(NC(=O)CSC2=NC(=O)[N-]N2)C1	REAL300025411347	1	43	-2.0	-98.56	387.65	-6.78	-105.34
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300025411392	0	41	-2.0	-109.20	375.11	-3.97	-113.17
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025411406	0	37	-2.0	-91.16	349.18	-8.51	-99.67
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300025411409	0	41	-2.0	-122.46	383.38	-3.63	-126.09
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300025411502	0	41	-2.0	-106.14	376.38	-2.80	-108.94
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300025411502	1	41	-2.0	-106.14	376.38	-2.80	-108.94
CC1=CC=NC(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300025411542	0	43	-2.0	-108.06	386.65	-3.22	-111.28
CC1=CC=NC(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300025411542	1	43	-2.0	-108.06	386.65	-3.22	-111.28
CC1=CC(=O)C(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025411756	0	42	-2.0	-99.29	383.18	-3.68	-102.97
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300025411770	0	41	-2.0	-128.75	372.32	-2.95	-131.70
CN1N=C(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025411811	0	40	-2.0	-99.93	371.83	-7.30	-107.23
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300025411918	0	41	-2.0	-106.47	375.50	-4.48	-110.95
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300025411918	1	41	-2.0	-106.47	375.50	-4.48	-110.95
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300025411960	0	39	-2.0	-92.07	367.26	-10.23	-102.30
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300025411960	1	39	-2.0	-88.58	367.85	-9.47	-98.05
NC1=NC=C(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C(=O)[N-]1	REAL300025411992	1	41	-2.0	-104.98	381.61	-7.05	-112.03
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300025412060	0	40	-2.0	-109.89	362.14	-4.48	-114.37
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025412065	0	37	-2.0	-95.86	349.47	-7.19	-103.05
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300025412163	0	41	-2.0	-92.45	375.80	-8.75	-101.20
CCN1[N-]C(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025412199	0	44	-2.0	-96.58	399.00	-4.88	-101.46
CN1[N-]C(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025412214	0	41	-2.0	-95.71	377.27	-5.81	-101.52
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300025412292	1	41	-2.0	-97.69	375.46	-4.45	-102.14
CC1=CN=C(C(=O)N2CC(CO)(NC(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300025412343	1	43	-2.0	-110.29	387.57	-3.27	-113.56
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300025412354	0	38	-2.0	-105.01	362.03	-5.35	-110.36
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300025412365	0	41	-2.0	-110.67	375.23	-3.88	-114.55
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)(NC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300025412441	0	39	-2.0	-91.20	371.00	-9.80	-101.00
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)(NC(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300025412441	1	39	-2.0	-91.20	371.00	-9.80	-101.00
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300025412519	0	37	-2.0	-100.88	351.71	-7.04	-107.92
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCC(NC(=O)C1=COC(=O)[N-]1)C2	REAL300025413246	1	43	-2.0	-88.83	387.98	-3.17	-92.00
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)N[N-]1)C2	REAL300025413328	0	44	-2.0	-88.50	392.81	-2.17	-90.67
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCC(NC(=O)C1=NC(=O)N[N-]1)C2	REAL300025413399	0	43	-2.0	-88.73	387.41	-3.46	-92.19
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2(CN(C(=O)C3=COC(=O)[N-]3)C2)C1	REAL300025413768	1	43	-2.0	-91.57	385.72	-2.70	-94.27
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2(CN(C(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300025413822	0	44	-2.0	-90.75	390.55	-2.14	-92.89
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2(CN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300025413835	0	43	-2.0	-91.64	385.29	-3.15	-94.79
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300025413984	0	43	-2.0	-95.37	385.57	-1.81	-97.18
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300025414130	0	43	-2.0	-93.30	387.55	-1.68	-94.98
CC(NC(=O)C1=COC(=O)[N-]1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414818	1	40	-2.0	-88.35	374.40	-7.50	-95.85
CC(NC(=O)C1=NN(C)C(=O)[N-]1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414887	0	43	-2.0	-92.67	396.34	-6.15	-98.82
CC(NC(=O)C1=C[N-]N=CC1=O)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414909	0	42	-2.0	-80.50	383.45	-4.35	-84.85
CC(NC(=O)C1=CC(=O)N[N-]1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025414938	0	41	-2.0	-86.98	379.33	-6.37	-93.35
CC(NC(=O)C1=NC(=O)N[N-]1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415062	0	40	-2.0	-87.73	373.90	-7.65	-95.38
CC(NC(=O)C1=CC(=O)N(C)[N-]1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025415123	0	44	-2.0	-89.51	402.04	-4.79	-94.30
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025415360	1	43	-2.0	-99.92	389.04	-2.83	-102.75
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025415787	1	40	-2.0	-85.70	372.55	-7.00	-92.70
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025415848	0	42	-2.0	-89.19	380.83	-3.67	-92.86
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025415901	0	41	-2.0	-86.52	377.54	-6.40	-92.92
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025415929	0	40	-2.0	-88.74	371.04	-7.52	-96.26
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300025416112	0	43	-2.0	-93.29	394.99	-6.20	-99.49
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300025416216	0	43	-2.0	-96.81	383.96	-3.61	-100.42
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025416218	0	40	-2.0	-90.21	372.55	-6.08	-96.29
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300025416292	0	44	-2.0	-88.95	400.20	-4.70	-93.65
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300025416367	0	41	-2.0	-96.84	383.55	-4.36	-101.20
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025416460	0	40	-2.0	-91.66	373.97	-6.02	-97.68
CN(CCCCN(C)C(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417109	1	44	-2.0	-90.76	392.06	-0.14	-90.90
CN(CCCCN(C)C(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417189	0	47	-2.0	-93.54	415.03	-0.09	-93.63
CN(CCCCN(C)C(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417214	0	46	-2.0	-94.45	410.86	1.28	-93.17
CN(CCCCN(C)C(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417246	0	45	-2.0	-86.89	397.75	-0.22	-87.11
CN(CCCCN(C)C(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417392	0	44	-2.0	-86.38	392.54	-0.92	-87.30
CN(CCCCN(C)C(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025417467	0	48	-2.0	-97.73	419.71	1.50	-96.23
CN(CCCCN(C)C(=O)C1=NC=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025417704	1	47	-2.0	-111.61	408.97	3.54	-108.07
CN(CCCCN(C)C(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418131	1	44	-2.0	-90.76	392.06	-0.14	-90.90
CN(CCCCN(C)C(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418192	0	46	-2.0	-94.45	410.86	1.28	-93.17
CN(CCCCN(C)C(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418245	0	45	-2.0	-86.89	397.75	-0.22	-87.11
CN(CCCCN(C)C(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418273	0	44	-2.0	-86.38	392.54	-0.92	-87.30
CN(CCCCN(C)C(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418456	0	47	-2.0	-93.54	415.03	-0.09	-93.63
CN(CCCCN(C)C(=O)C1=CC=NC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025418560	0	47	-2.0	-110.23	410.41	1.44	-108.79
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418562	0	44	-2.0	-97.94	391.90	-0.12	-98.06
CN(CCCCN(C)C(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418636	0	48	-2.0	-97.73	419.71	1.50	-96.23
CN(CCCCN(C)C(=O)C1=CC([O-])=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418711	0	45	-2.0	-98.58	404.65	1.49	-97.09
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025418816	0	44	-2.0	-97.94	391.90	-0.12	-98.06
O=C(CSC1=NNC(=O)[N-]1)N1CC(=C(F)CNC(=O)C2=COC(=O)[N-]2)C1	REAL300025419468	1	37	-2.0	-91.19	364.49	-4.25	-95.44
CN1N=C(C(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025419548	0	40	-2.0	-92.88	386.65	-3.15	-96.03
O=C(CSC1=NNC(=O)[N-]1)N1CC(=C(F)CNC(=O)C2=C[N-]N=CC2=O)C1	REAL300025419573	0	39	-2.0	-78.87	373.56	-1.20	-80.07
O=C(CSC1=NNC(=O)[N-]1)N1CC(=C(F)CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300025419605	0	38	-2.0	-86.29	369.33	-3.35	-89.64
O=C(CSC1=NNC(=O)[N-]1)N1CC(=C(F)CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300025419751	0	37	-2.0	-86.13	363.93	-4.65	-90.78
CN1[N-]C(C(=O)NCC(F)=C2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025419826	0	41	-2.0	-88.91	392.15	-1.64	-90.55
O=C(CSC1=NNC(=O)[N-]1)NCC(F)=C1CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025420063	1	40	-2.0	-100.59	378.78	0.37	-100.22
O=C(CSC1=NNC(=O)[N-]1)NCC(F)=C1CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025420490	1	37	-2.0	-90.47	362.27	-3.80	-94.27
O=C(CSC1=NNC(=O)[N-]1)NCC(F)=C1CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025420551	0	39	-2.0	-92.16	369.92	-0.50	-92.66
O=C(CSC1=NNC(=O)[N-]1)NCC(F)=C1CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025420604	0	38	-2.0	-89.39	367.12	-3.23	-92.62
O=C(CSC1=NNC(=O)[N-]1)NCC(F)=C1CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025420632	0	37	-2.0	-90.23	361.85	-4.24	-94.47
CN1N=C(C(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025420815	0	40	-2.0	-95.79	384.49	-3.02	-98.81
O=C(CSC1=NNC(=O)[N-]1)NCC(F)=C1CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300025420919	0	40	-2.0	-101.52	374.79	-0.34	-101.86
O=C(CSC1=NNC(=O)[N-]1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025420921	0	37	-2.0	-94.41	362.13	-2.90	-97.31
CN1[N-]C(C(=O)N2CC(=C(F)CNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025420995	0	41	-2.0	-91.83	389.94	-1.52	-93.35
O=C(CSC1=NNC(=O)[N-]1)NCC(F)=C1CN(C(=O)C2=CC([O-])=CS2)C1	REAL300025421070	0	38	-2.0	-99.97	374.36	-1.10	-101.07
O=C(CSC1=NNC(=O)[N-]1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300025421175	0	37	-2.0	-94.48	364.06	-2.77	-97.25
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CCNC(=O)C1=COC(=O)[N-]1	REAL300025421505	1	45	-2.0	-92.54	386.74	-2.90	-95.44
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CCNC(=O)C1=CC(=O)N[N-]1	REAL300025421583	0	46	-2.0	-89.05	391.75	-1.92	-90.97
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CCNC(=O)C1=NC(=O)N[N-]1	REAL300025421651	0	45	-2.0	-91.32	386.33	-3.19	-94.51
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCCCN1C(=O)C1=COC(=O)[N-]1	REAL300025421971	1	45	-2.0	-84.29	383.47	-1.63	-85.92
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCCCN1C(=O)C1=CC(=O)N[N-]1	REAL300025422021	0	46	-2.0	-86.17	388.34	-1.69	-87.86
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCCCN1C(=O)C1=NC(=O)N[N-]1	REAL300025422029	0	45	-2.0	-84.69	383.16	-2.32	-87.01
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300025422146	0	45	-2.0	-90.78	382.63	-1.76	-92.54
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300025422269	0	45	-2.0	-92.77	386.49	-1.43	-94.20
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300025423021	0	39	-2.0	-96.37	366.98	-4.66	-101.03
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)CN1C(=O)[N-]NC1=O)C2	REAL300025423071	0	41	-2.0	-100.12	383.67	-3.04	-103.16
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300025423437	0	41	-2.0	-107.84	376.30	0.98	-106.86
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300025423512	0	41	-2.0	-89.97	377.00	-3.90	-93.87
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=COC(=O)[N-]1)C2	REAL300025423523	1	37	-2.0	-95.24	350.86	-3.17	-98.41
CCN1[N-]C(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)=CC1=O	REAL300025423632	0	44	-2.0	-94.53	400.39	0.05	-94.48
CN1N=C(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)[N-]C1=O	REAL300025423660	0	40	-2.0	-98.98	373.16	-2.41	-101.39
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300025423714	0	39	-2.0	-95.42	359.12	0.14	-95.28
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300025423777	0	38	-2.0	-90.96	355.83	-2.60	-93.56
C[PH](C)([O-])C(=O)C(=O)N1CC2(CN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025423782	0	43	-2.0	-96.46	388.83	-1.92	-98.38
C[PH](C)([O-])C(=O)C(=O)N1CC2(CN(C(=O)CSC3=NC(=O)[N-]N3)C2)C1	REAL300025423782	1	43	-2.0	-96.46	388.83	-1.92	-98.38
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300025423804	0	41	-2.0	-112.74	384.56	1.32	-111.42
CC1SC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)=NC1=O	REAL300025423824	0	40	-2.0	-94.61	382.71	-2.23	-96.84
CC1=C([O-])N=C(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)S1	REAL300025423824	1	40	-2.0	-94.61	382.71	-2.23	-96.84
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300025423840	0	41	-2.0	-109.65	376.87	1.00	-108.65
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300025423864	0	41	-2.0	-120.96	373.89	2.00	-118.96
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)CC1=NC([O-])=CS1)C2	REAL300025423973	0	40	-2.0	-107.05	384.48	-2.73	-109.78
CC1=CC(=O)C(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)=N[N-]1	REAL300025424121	0	42	-2.0	-95.54	384.28	1.20	-94.34
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300025424131	0	37	-2.0	-89.68	350.58	-3.62	-93.30
CN1[N-]C(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)=CC1=O	REAL300025424304	0	41	-2.0	-93.70	378.67	-0.89	-94.59
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=NC=CC=C1[O-])C2	REAL300025424554	1	40	-2.0	-102.02	367.38	0.99	-101.03
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300025424647	0	39	-2.0	-96.37	366.98	-4.66	-101.03
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)CN1C(=O)[N-]NC1=O)C2	REAL300025424737	0	41	-2.0	-100.12	383.67	-3.04	-103.16
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=COC(=O)[N-]1)C2	REAL300025425581	1	37	-2.0	-95.24	350.86	-3.17	-98.41
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC=C([O-])C=C1F)C2	REAL300025425648	1	41	-2.0	-96.09	377.67	0.60	-95.49
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC([O-])=CC(=O)O1)C2	REAL300025425651	0	40	-2.0	-90.07	375.68	0.00	-90.07
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300025425711	0	39	-2.0	-95.42	359.12	0.14	-95.28
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC=CC(F)=C1[O-])C2	REAL300025425718	0	41	-2.0	-108.12	377.06	2.08	-106.04
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC=CC([O-])=C1F)C2	REAL300025425776	1	41	-2.0	-106.85	377.36	0.56	-106.29
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300025425846	0	38	-2.0	-90.96	355.83	-2.60	-93.56
C[PH](C)([O-])C(=O)C(=O)N1CC2(CN(C(=O)CSC3=NC(=O)NN3)C2)C1	REAL300025425851	0	43	-2.0	-96.46	388.83	-1.92	-98.38
C[PH](C)([O-])C(=O)C(=O)N1CC2(CN(C(=O)CSC3=NC(=O)[N-]N3)C2)C1	REAL300025425851	1	43	-2.0	-96.46	388.83	-1.92	-98.38
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300025425899	0	41	-2.0	-109.65	376.87	1.00	-108.65
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=NNC(=O)[N-]1)C2	REAL300025425915	0	37	-2.0	-94.97	350.46	-4.07	-99.04
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300025425920	0	41	-2.0	-112.74	384.56	1.32	-111.42
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(F)=CC=C1O)C2	REAL300025426022	0	41	-2.0	-99.85	377.25	2.07	-97.78
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(F)=CC=C1[O-])C2	REAL300025426022	1	41	-2.0	-99.85	377.25	2.07	-97.78
CC1=CC=NC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)=C1O	REAL300025426064	0	43	-2.0	-105.55	387.82	1.67	-103.88
CC1=CC=NC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)=C1[O-]	REAL300025426064	1	43	-2.0	-105.55	387.82	1.67	-103.88
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)CC1=NC([O-])=CS1)C2	REAL300025426205	0	40	-2.0	-107.05	384.48	-2.73	-109.78
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=C([O-])C=CC=C1F)C2	REAL300025426216	0	41	-2.0	-101.99	384.72	0.85	-101.14
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC=C(F)C=C1[O-])C2	REAL300025426217	0	41	-2.0	-107.22	377.41	2.12	-105.10
CC1=CC(=O)C(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)=N[N-]1	REAL300025426304	0	42	-2.0	-95.54	384.28	1.20	-94.34
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300025426319	0	41	-2.0	-120.96	373.89	2.00	-118.96
CN1N=C(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)[N-]C1=O	REAL300025426363	0	40	-2.0	-98.98	373.16	-2.41	-101.39
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC=C(F)C([O-])=C1)C2	REAL300025426482	1	41	-2.0	-103.54	376.94	0.45	-103.09
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300025426529	0	39	-2.0	-86.65	369.14	-4.56	-91.21
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300025426529	1	39	-2.0	-86.65	369.14	-4.56	-91.21
NC1=NC=C(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C(=O)N1	REAL300025426564	0	41	-2.0	-102.47	373.00	-1.06	-103.53
NC1=NC=C(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C(=O)[N-]1	REAL300025426564	1	41	-2.0	-102.47	373.00	-1.06	-103.53
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300025426651	0	37	-2.0	-94.58	350.88	-2.26	-96.84
CC1SC(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)=NC1=O	REAL300025426666	0	40	-2.0	-94.61	382.71	-2.23	-96.84
CC1=C([O-])N=C(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)S1	REAL300025426666	1	40	-2.0	-94.61	382.71	-2.23	-96.84
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300025426762	0	41	-2.0	-89.97	377.00	-3.90	-93.87
CCN1[N-]C(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)=CC1=O	REAL300025426803	0	44	-2.0	-94.53	400.39	0.05	-94.48
CN1[N-]C(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)=CC1=O	REAL300025426819	0	41	-2.0	-93.70	378.67	-0.89	-94.59
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC=C(O)C(F)=C1)C2	REAL300025426901	0	41	-2.0	-98.28	376.90	0.50	-97.78
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC=C([O-])C(F)=C1)C2	REAL300025426901	1	41	-2.0	-98.28	376.90	0.50	-97.78
CC1=CN=C(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C(O)=C1	REAL300025426962	0	43	-2.0	-103.41	388.81	1.64	-101.77
CC1=CN=C(C(=O)N2CC3(CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)C([O-])=C1	REAL300025426962	1	43	-2.0	-103.41	388.81	1.64	-101.77
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC([O-])=CS1)C2	REAL300025426975	0	38	-2.0	-102.37	363.09	-0.46	-102.83
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300025426986	0	41	-2.0	-107.84	376.30	0.98	-106.86
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300025427084	0	39	-2.0	-91.42	368.63	-5.35	-96.77
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300025427084	1	39	-2.0	-86.65	369.14	-4.56	-91.21
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300025427189	0	37	-2.0	-94.58	350.88	-2.26	-96.84
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=COC(=O)[N-]1	REAL300025427863	1	40	-2.0	-90.00	370.83	-5.60	-95.60
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300025427943	0	43	-2.0	-98.45	393.81	-4.40	-102.85
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300025427968	0	42	-2.0	-83.17	379.88	-2.46	-85.63
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300025428000	0	41	-2.0	-92.55	376.53	-4.60	-97.15
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300025428146	0	40	-2.0	-94.22	371.13	-5.89	-100.11
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300025428221	0	44	-2.0	-91.31	398.47	-2.88	-94.19
CO[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428458	1	43	-2.0	-103.03	384.36	-0.70	-103.73
CO[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428885	1	40	-2.0	-86.55	367.56	-4.53	-91.08
CO[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428946	0	42	-2.0	-86.55	386.42	-2.82	-89.37
CO[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025428999	0	41	-2.0	-87.90	372.42	-4.41	-92.31
CO[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429027	0	40	-2.0	-86.28	367.21	-5.15	-91.43
CO[C@@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429210	0	43	-2.0	-94.52	389.98	-4.23	-98.75
CO[C@@H]1CN(C(=O)C2=CC=NC=C2[O-])C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429314	0	43	-2.0	-99.46	383.60	-2.05	-101.51
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429316	0	40	-2.0	-90.95	367.40	-4.27	-95.22
CO[C@@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429390	0	44	-2.0	-90.70	395.23	-2.70	-93.40
CO[C@@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025429465	0	41	-2.0	-98.74	379.88	-2.48	-101.22
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300025429570	0	40	-2.0	-96.67	371.27	-4.11	-100.78
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=COC(=O)[N-]2)C2(CC2)C1	REAL300025430738	1	40	-2.0	-85.25	368.25	-3.28	-88.53
CN1N=C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)[N-]C1=O	REAL300025430814	0	43	-2.0	-96.96	392.84	-2.40	-99.36
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=C[N-]N=CC2=O)C2(CC2)C1	REAL300025430843	0	42	-2.0	-84.22	379.77	-0.43	-84.65
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(=O)N[N-]2)C2(CC2)C1	REAL300025430874	0	41	-2.0	-87.17	373.08	-2.27	-89.44
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=NC(=O)N[N-]2)C2(CC2)C1	REAL300025431018	0	40	-2.0	-91.32	370.14	-3.90	-95.22
CN1[N-]C(C(=O)NC2CN(C(=O)CSC3=NNC(=O)[N-]3)CC23CC3)=CC1=O	REAL300025431088	0	44	-2.0	-89.87	395.77	-0.59	-90.46
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=NC=CC=C2[O-])CC12CC2	REAL300025431337	1	43	-2.0	-106.16	381.64	1.57	-104.59
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=COC(=O)[N-]2)CC12CC2	REAL300025431812	1	40	-2.0	-96.53	364.72	-2.23	-98.76
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=C[N-]N=CC2=O)CC12CC2	REAL300025431882	0	42	-2.0	-93.33	383.68	-0.53	-93.86
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC(=O)N[N-]2)CC12CC2	REAL300025431941	0	41	-2.0	-92.10	369.60	-2.11	-94.21
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=NC(=O)N[N-]2)CC12CC2	REAL300025431975	0	40	-2.0	-95.70	364.35	-2.84	-98.54
CN1N=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)[N-]C1=O	REAL300025432189	0	43	-2.0	-97.90	387.11	-1.94	-99.84
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC=NC=C2[O-])CC12CC2	REAL300025432319	0	43	-2.0	-105.34	381.96	0.29	-105.05
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CN1[N-]C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)C3(CC3)C2)=CC1=O	REAL300025432409	0	44	-2.0	-94.32	392.32	-0.41	-94.73
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CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=COC(=O)[N-]1	REAL300025433710	1	42	-2.0	-87.81	377.00	-3.24	-91.05
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300025433794	0	45	-2.0	-93.95	398.83	-2.05	-96.00
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300025433822	0	44	-2.0	-84.87	385.41	-0.17	-85.04
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300025433856	0	43	-2.0	-87.94	382.13	-2.26	-90.20
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300025434017	0	42	-2.0	-87.93	376.72	-3.54	-91.47
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300025434100	0	46	-2.0	-90.43	405.08	-0.52	-90.95
CC[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434348	1	45	-2.0	-102.19	389.90	1.57	-100.62
CC[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434811	1	42	-2.0	-95.10	373.20	-2.23	-97.33
CC[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434878	0	44	-2.0	-87.93	392.46	-0.51	-88.44
CC[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434935	0	43	-2.0	-91.48	378.88	-2.17	-93.65
CC[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025434967	0	42	-2.0	-94.27	373.66	-3.00	-97.27
CC[C@@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435170	0	45	-2.0	-99.22	395.47	-2.00	-101.22
CC[C@@H]1CN(C(=O)C2=CC=NC=C2[O-])C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435288	0	45	-2.0	-96.65	390.62	-0.08	-96.73
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435290	0	42	-2.0	-95.78	374.11	-1.94	-97.72
CC[C@@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435370	0	46	-2.0	-93.65	401.61	-0.46	-94.11
CC[C@@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300025435454	0	43	-2.0	-99.64	385.62	-0.16	-99.80
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300025435573	0	42	-2.0	-91.78	376.57	-1.76	-93.54
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O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300025436591	0	45	-2.0	-92.09	382.48	-1.52	-93.61
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CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1=COC(=O)[N-]1	REAL300025437566	1	42	-2.0	-97.59	383.87	-3.16	-100.75
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1=NN(C)C(=O)[N-]1	REAL300025437650	0	45	-2.0	-102.28	406.04	-1.97	-104.25
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1=C[N-]N=CC1=O	REAL300025437678	0	44	-2.0	-86.70	392.93	-0.01	-86.71
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1=CC(=O)N[N-]1	REAL300025437712	0	43	-2.0	-96.22	388.72	-2.18	-98.40
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CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300025437956	0	46	-2.0	-98.32	411.51	-0.47	-98.79
CC(CC1CN(C(=O)C2=NC=CC=C2[O-])C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438204	1	45	-2.0	-107.67	400.03	1.44	-106.23
CC(CC1CN(C(=O)C2=COC(=O)[N-]2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438667	1	42	-2.0	-97.98	383.69	-2.85	-100.83
CC(CC1CN(C(=O)C2=C[N-]N=CC2=O)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438734	0	44	-2.0	-100.45	390.59	0.43	-100.02
CC(CC1CN(C(=O)C2=CC(=O)N[N-]2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438791	0	43	-2.0	-96.56	388.52	-2.27	-98.83
CC(CC1CN(C(=O)C2=NC(=O)N[N-]2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025438823	0	42	-2.0	-98.02	383.23	-3.30	-101.32
CC(CC1CN(C(=O)C2=NN(C)C(=O)[N-]2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439026	0	45	-2.0	-102.90	405.88	-2.06	-104.96
CC(CC1CN(C(=O)C2=CC=NC=C2[O-])C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439144	0	45	-2.0	-107.88	395.55	0.57	-107.31
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439146	0	42	-2.0	-105.11	382.34	-1.99	-107.10
CC(CC1CN(C(=O)C2=CC(=O)N(C)[N-]2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439226	0	46	-2.0	-99.68	409.15	-0.46	-100.14
CC(CC1CN(C(=O)C2=CC([O-])=CS2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300025439310	0	43	-2.0	-105.54	395.58	-0.06	-105.60
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300025439429	0	42	-2.0	-102.63	383.46	-1.69	-104.32
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1=COC(=O)[N-]1	REAL300025441122	1	42	-2.0	-93.87	373.87	-3.02	-96.89
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1=NN(C)C(=O)[N-]1	REAL300025441206	0	45	-2.0	-101.06	387.44	-1.25	-102.31
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1=C[N-]N=CC1=O	REAL300025441234	0	44	-2.0	-95.53	377.43	1.47	-94.06
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1=CC(=O)N[N-]1	REAL300025441268	0	43	-2.0	-91.93	375.00	-2.27	-94.20
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1=NC(=O)N[N-]1	REAL300025441429	0	42	-2.0	-95.07	364.72	-2.75	-97.82
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1=CC(=O)N(C)[N-]1	REAL300025441512	0	46	-2.0	-96.00	401.58	-0.20	-96.20
CC1CCN(C(=O)C2=NC=CC=C2[O-])C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025441760	1	45	-2.0	-108.64	378.44	2.30	-106.34
CC1CCN(C(=O)C2=COC(=O)[N-]2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442140	1	42	-2.0	-90.20	362.00	-1.48	-91.68
CC1CCN(C(=O)C2=C[N-]N=CC2=O)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442203	0	44	-2.0	-90.06	385.57	0.01	-90.05
CC1CCN(C(=O)C2=CC(=O)N[N-]2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442251	0	43	-2.0	-92.88	376.48	-1.77	-94.65
CC1CCN(C(=O)C2=NC(=O)N[N-]2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442277	0	42	-2.0	-91.60	371.24	-2.54	-94.14
CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442448	0	45	-2.0	-101.86	384.07	-1.15	-103.01
CC1CCN(C(=O)C2=CC=NC=C2[O-])C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442547	0	45	-2.0	-108.21	383.61	0.84	-107.37
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442549	0	42	-2.0	-97.83	370.23	-1.70	-99.53
CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442620	0	46	-2.0	-97.47	399.19	-0.14	-97.61
CC1CCN(C(=O)C2=CC([O-])=CS2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300025442686	0	43	-2.0	-106.87	381.71	0.21	-106.66
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300025442802	0	42	-2.0	-97.51	373.44	-1.52	-99.03
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300025443559	0	41	-2.0	-98.41	374.34	-3.79	-102.20
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CN1C(=O)[N-]NC1=O	REAL300025443607	0	43	-2.0	-100.40	391.58	-2.34	-102.74
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300025443947	0	43	-2.0	-106.19	394.01	1.90	-104.29
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300025444022	0	43	-2.0	-90.77	394.39	-2.90	-93.67
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=COC(=O)[N-]1	REAL300025444033	1	39	-2.0	-88.37	357.94	-1.66	-90.03
CCN1[N-]C(C(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025444138	0	46	-2.0	-95.11	407.99	1.03	-94.08
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300025444164	0	42	-2.0	-98.49	382.77	-1.57	-100.06
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=C[N-]N=CC1=O	REAL300025444216	0	41	-2.0	-91.60	377.34	-0.12	-91.72
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)N[N-]1	REAL300025444274	0	40	-2.0	-91.46	363.45	-1.60	-93.06
CN(CC1CN(C(=O)CSC2=NC(=O)NN2)C1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300025444279	0	45	-2.0	-94.02	397.71	-0.96	-94.98
CN(CC1CN(C(=O)CSC2=NC(=O)[N-]N2)C1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300025444279	1	45	-2.0	-94.02	397.71	-0.96	-94.98
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC=CN([O-])C1=O	REAL300025444299	0	43	-2.0	-119.69	393.63	1.98	-117.71
CC1SC(C(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300025444318	0	42	-2.0	-94.16	389.55	-0.89	-95.05
CC1=C([O-])N=C(C(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025444318	1	42	-2.0	-94.16	389.55	-0.89	-95.05
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300025444332	0	43	-2.0	-110.65	386.98	1.69	-108.96
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300025444353	0	43	-2.0	-108.97	393.58	1.67	-107.30
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)CC1=NC([O-])=CS1	REAL300025444454	0	42	-2.0	-116.94	392.43	-1.98	-118.92
CC1=CC(=O)C(C(=O)N(C)CC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025444592	0	44	-2.0	-94.33	391.49	2.08	-92.25
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=NC(=O)N[N-]1	REAL300025444602	0	39	-2.0	-90.16	360.02	-2.43	-92.59
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300025444768	0	43	-2.0	-94.27	386.26	0.10	-94.17
CN(CC1CN(C(=O)C2=NC=CC=C2O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445018	0	42	-2.0	-105.53	375.67	1.77	-103.76
CN(CC1CN(C(=O)C2=NC=CC=C2[O-])C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445018	1	42	-2.0	-105.53	375.67	1.77	-103.76
CN(CC1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445107	0	41	-2.0	-97.96	375.27	-3.88	-101.84
CN(CC1CN(C(=O)CN2C(=O)[N-]NC2=O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445193	0	43	-2.0	-100.16	393.11	-2.35	-102.51
CN(CC1CN(C(=O)C2=COC(=O)[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025445977	1	39	-2.0	-91.80	360.37	-2.50	-94.30
CN(CC1CN(C(=O)C2=CC=C([O-])C=C2F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446039	1	43	-2.0	-98.01	385.45	1.33	-96.68
CN(CC1CN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446042	0	42	-2.0	-99.84	383.60	0.71	-99.13
CN(CC1CN(C(=O)C2=C[N-]N=CC2=O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446099	0	41	-2.0	-96.03	368.47	0.84	-95.19
CN(CC1CN(C(=O)C2=CC=CC(F)=C2[O-])C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446106	0	43	-2.0	-114.30	387.42	2.68	-111.62
CN(CC1CN(C(=O)C2=CC=CC([O-])=C2F)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446161	1	43	-2.0	-110.29	386.99	1.22	-109.07
CN(CC1CN(C(=O)C2=CC(=O)N[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446225	0	40	-2.0	-92.41	365.23	-1.92	-94.33
CN(CC1CN(C(=O)C(=O)[PH](C)(C)[O-])C1)C(=O)CSC1=NC(=O)NN1	REAL300025446230	0	45	-2.0	-96.38	398.27	-0.95	-97.33
CN(CC1CN(C(=O)C(=O)[PH](C)(C)[O-])C1)C(=O)CSC1=NC(=O)[N-]N1	REAL300025446230	1	45	-2.0	-96.38	398.27	-0.95	-97.33
CN(CC1CN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446275	0	43	-2.0	-108.18	385.67	1.65	-106.53
CN(CC1CN(C(=O)C2=NC(=O)N[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446289	0	39	-2.0	-101.37	358.73	-2.84	-104.21
CN(CC1CN(C(=O)C2=CC=CN([O-])C2=O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446293	0	43	-2.0	-117.88	392.52	2.04	-115.84
CN(CC1CN(C(=O)C2=CC(F)=CC=C2O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446389	0	43	-2.0	-101.83	385.59	2.85	-98.98
CN(CC1CN(C(=O)C2=CC(F)=CC=C2[O-])C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446389	1	43	-2.0	-101.83	385.59	2.85	-98.98
CC1=CC=NC(C(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)=C1O	REAL300025446430	0	45	-2.0	-105.75	396.00	2.46	-103.29
CC1=CC=NC(C(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)=C1[O-]	REAL300025446430	1	45	-2.0	-105.75	396.00	2.46	-103.29
CN(CC1CN(C(=O)CC2=NC([O-])=CS2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446563	0	42	-2.0	-107.39	392.40	-1.95	-109.34
CC1=CC(=O)C(C(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025446658	0	44	-2.0	-96.97	393.65	1.89	-95.08
CN(CC1CN(C(=O)C2=CC=CC(=O)N2[O-])C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446673	0	43	-2.0	-126.76	382.86	2.79	-123.97
CN(CC1CN(C(=O)C2=NN(C)C(=O)[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446715	0	42	-2.0	-102.02	381.38	-1.62	-103.64
CN(CC1CN(C(=O)C2=CC=C(F)C(O)=C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446828	0	43	-2.0	-102.45	385.91	1.15	-101.30
CN(CC1CN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446828	1	43	-2.0	-102.45	385.91	1.15	-101.30
CN(CC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446873	0	41	-2.0	-104.31	377.42	-4.72	-109.03
CN(CC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446873	1	41	-2.0	-96.64	377.00	-3.80	-100.44
CN(CC1CN(C(=O)C2=CN=C(N)[N-]C2=O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446907	1	43	-2.0	-104.51	390.66	-1.41	-105.92
CN(CC1CN(C(=O)C2=CC=NC=C2[O-])C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446982	0	42	-2.0	-102.34	371.77	1.03	-101.31
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025446987	0	39	-2.0	-96.00	360.22	-1.58	-97.58
CC1=C([O-])N=C(C(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025447002	1	42	-2.0	-111.02	390.87	-1.42	-112.44
CN(CC1CN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447093	0	43	-2.0	-97.26	385.15	-3.15	-100.41
CCN1[N-]C(C(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025447131	0	46	-2.0	-99.37	408.14	0.80	-98.57
CN(CC1CN(C(=O)C2=CC(=O)N(C)[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447147	0	43	-2.0	-98.91	386.33	-0.14	-99.05
CN(CC1CN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447227	1	43	-2.0	-101.36	385.85	1.19	-100.17
CC1=CN=C(C(=O)N2CC(CN(C)C(=O)CSC3=NNC(=O)[N-]3)C2)C([O-])=C1	REAL300025447282	1	45	-2.0	-106.97	397.71	2.28	-104.69
CN(CC1CN(C(=O)C2=CC([O-])=CS2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447294	0	40	-2.0	-103.70	371.22	0.28	-103.42
CN(CC1CN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025447305	0	43	-2.0	-106.61	384.63	1.74	-104.87
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025447399	0	41	-2.0	-88.86	376.09	-2.81	-91.67
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025447399	1	41	-2.0	-88.86	376.09	-2.81	-91.67
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300025447498	0	39	-2.0	-96.50	358.44	-1.52	-98.02
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CC2)CC1CNC(=O)C1=COC(=O)N1	REAL300025447859	0	43	-2.0	-88.75	388.46	-2.83	-91.58
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CC2)CC1CNC(=O)C1=COC(=O)[N-]1	REAL300025447859	1	43	-2.0	-88.75	388.46	-2.83	-91.58
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)N[N-]1	REAL300025447941	0	44	-2.0	-89.79	393.51	-1.83	-91.62
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CC2)CC1CNC(=O)C1=NC(=O)N[N-]1	REAL300025448012	0	43	-2.0	-88.36	388.56	-3.14	-91.50
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2(CC2)CN1C(=O)C1=COC(=O)[N-]1	REAL300025448345	1	43	-2.0	-91.38	386.10	-1.89	-93.27
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)N[N-]1	REAL300025448397	0	44	-2.0	-92.29	391.22	-1.70	-93.99
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2(CC2)CN1C(=O)C1=NC(=O)N[N-]1	REAL300025448407	0	43	-2.0	-90.88	384.84	-2.40	-93.28
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300025448527	0	43	-2.0	-94.67	385.06	-1.54	-96.21
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300025448657	0	43	-2.0	-92.31	388.26	-1.35	-93.66
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CC(NC(=O)C3=COC(=O)[N-]3)C2)C1	REAL300025449630	1	40	-2.0	-88.38	372.24	-3.79	-92.17
CN1N=C(C(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)[N-]C1=O	REAL300025449717	0	43	-2.0	-96.59	394.39	-2.60	-99.19
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CC(NC(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300025449749	0	42	-2.0	-81.30	381.29	-0.63	-81.93
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CC(NC(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300025449783	0	41	-2.0	-89.72	377.07	-2.80	-92.52
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CC(NC(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300025449952	0	40	-2.0	-88.96	371.66	-4.09	-93.05
CN1[N-]C(C(=O)NC2CC3(C2)CN(C(=O)CSC2=NNC(=O)[N-]2)C3)=CC1=O	REAL300025450039	0	44	-2.0	-92.47	399.81	-1.09	-93.56
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CN(C(=O)C1=NC=CC=C1[O-])C2	REAL300025450288	1	43	-2.0	-101.91	386.62	0.76	-101.15
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CN(C(=O)C1=COC(=O)[N-]1)C2	REAL300025450763	1	40	-2.0	-90.54	368.75	-3.30	-93.84
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300025450833	0	42	-2.0	-92.33	376.47	-0.02	-92.35
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300025450892	0	41	-2.0	-92.52	373.58	-2.72	-95.24
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300025450926	0	40	-2.0	-91.36	369.70	-3.87	-95.23
CN1N=C(C(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)[N-]C1=O	REAL300025451140	0	43	-2.0	-96.39	392.36	-2.62	-99.01
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CN(C(=O)C1=CC=NC=C1[O-])C2	REAL300025451270	0	43	-2.0	-103.30	382.65	0.08	-103.22
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300025451273	0	40	-2.0	-95.55	368.22	-2.43	-97.98
CN1[N-]C(C(=O)N2CC3(CC(NC(=O)CSC4=NNC(=O)[N-]4)C3)C2)=CC1=O	REAL300025451360	0	44	-2.0	-92.62	397.70	-1.12	-93.74
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CN(C(=O)C1=CC([O-])=CS1)C2	REAL300025451450	0	41	-2.0	-103.27	380.69	-0.61	-103.88
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300025451575	0	40	-2.0	-93.78	371.81	-2.32	-96.10
CC1CCN(C(=O)C2=COC(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452282	1	42	-2.0	-97.25	355.76	-0.22	-97.47
CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452366	0	45	-2.0	-89.97	379.34	-0.07	-90.04
CC1CCN(C(=O)C2=C[N-]N=CC2=O)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452394	0	44	-2.0	-89.14	362.40	0.57	-88.57
CC1CCN(C(=O)C2=CC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452428	0	43	-2.0	-103.00	359.52	-0.55	-103.55
CC1CCN(C(=O)C2=NC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452589	0	42	-2.0	-84.15	356.59	-0.63	-84.78
CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025452672	0	46	-2.0	-105.57	382.29	1.15	-104.42
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300025452920	1	45	-2.0	-94.38	374.34	3.43	-90.95
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300025453300	1	42	-2.0	-82.50	357.96	-0.05	-82.55
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300025453363	0	44	-2.0	-96.05	366.49	0.70	-95.35
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300025453411	0	43	-2.0	-103.82	360.52	-0.71	-104.53
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300025453437	0	42	-2.0	-82.27	357.95	-0.82	-83.09
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300025453608	0	45	-2.0	-88.76	380.65	-0.13	-88.89
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC=NC=C1[O-]	REAL300025453707	0	45	-2.0	-119.25	371.09	1.59	-117.66
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300025453709	0	42	-2.0	-111.98	355.87	-0.65	-112.63
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300025453780	0	46	-2.0	-106.05	383.64	0.99	-105.06
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC([O-])=CS1	REAL300025453846	0	43	-2.0	-119.59	368.83	0.99	-118.60
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025453962	0	42	-2.0	-106.90	355.85	-0.63	-107.53
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CCCNC(=O)C1=COC(=O)[N-]1	REAL300025455094	1	45	-2.0	-89.06	399.35	-2.71	-91.77
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)N[N-]1	REAL300025455172	0	46	-2.0	-90.46	404.18	-1.73	-92.19
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CCCNC(=O)C1=NC(=O)N[N-]1	REAL300025455240	0	45	-2.0	-89.24	398.77	-3.01	-92.25
O=C(CSC1=NNC(=O)[N-]1)NCCC[C@H]1CCCN1C(=O)C1=COC(=O)[N-]1	REAL300025455560	1	45	-2.0	-91.18	396.52	-1.74	-92.92
O=C(CSC1=NNC(=O)[N-]1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300025455610	0	46	-2.0	-93.14	401.25	-1.59	-94.73
O=C(CSC1=NNC(=O)[N-]1)NCCC[C@H]1CCCN1C(=O)C1=NC(=O)N[N-]1	REAL300025455618	0	45	-2.0	-91.85	396.16	-2.35	-94.20
O=C(CSC1=NNC(=O)[N-]1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300025455735	0	45	-2.0	-96.19	396.38	-1.40	-97.59
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300025455858	0	45	-2.0	-93.63	398.92	-1.24	-94.87
CC1(C)CC(NC(=O)C2=COC(=O)[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025456177	1	45	-2.0	-90.02	389.32	-2.76	-92.78
CC1(C)CC(NC(=O)C2=CC(=O)N[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025456255	0	46	-2.0	-94.55	394.15	-1.79	-96.34
CC1(C)CC(NC(=O)C2=NC(=O)N[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025456323	0	45	-2.0	-91.76	388.74	-3.09	-94.85
CC1(C)CC(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025456679	1	45	-2.0	-102.02	386.23	-1.53	-103.55
CC1(C)CC(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025456731	0	46	-2.0	-98.44	391.07	-1.59	-100.03
CC1(C)CC(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025456741	0	45	-2.0	-101.71	385.84	-2.24	-103.95
CC1(C)CC(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025456886	0	45	-2.0	-106.19	386.01	-1.55	-107.74
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457025	0	45	-2.0	-97.53	388.89	-1.30	-98.83
C=CCC1(NC(=O)C2=COC(=O)[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457758	1	40	-2.0	-93.92	374.21	-3.78	-97.70
C=CCC1(NC(=O)C2=NN(C)C(=O)[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457834	0	43	-2.0	-99.80	396.37	-2.58	-102.38
C=CCC1(NC(=O)C2=C[N-]N=CC2=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025457863	0	42	-2.0	-85.04	383.56	-0.85	-85.89
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C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025458832	1	40	-2.0	-88.27	371.96	-3.34	-91.61
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025458902	0	42	-2.0	-97.40	379.88	0.09	-97.31
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025458961	0	41	-2.0	-91.65	377.10	-2.73	-94.38
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C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025459629	0	40	-2.0	-98.87	373.86	-2.33	-101.20
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CN1N=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025462132	0	43	-2.0	-101.40	380.71	-2.73	-104.13
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CN1[N-]C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025462352	0	44	-2.0	-96.13	386.26	-1.16	-97.29
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C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025463569	0	43	-2.0	-90.19	381.80	-1.69	-91.88
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025463708	0	43	-2.0	-89.67	384.70	-1.53	-91.20
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O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=COC(=O)[N-]2)CC2(CC2)C1	REAL300025464558	1	43	-2.0	-91.30	381.51	-1.54	-92.84
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O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300025464774	0	43	-2.0	-98.02	381.31	-1.53	-99.55
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300025464920	0	43	-2.0	-98.01	384.09	-1.34	-99.35
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O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025465810	0	43	-2.0	-97.94	370.55	-5.12	-103.06
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CC(NC(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025466919	1	42	-2.0	-85.08	380.08	-3.51	-88.59
CC(NC(=O)C1=NN(C)C(=O)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467003	0	45	-2.0	-97.27	402.12	-2.28	-99.55
CC(NC(=O)C1=C[N-]N=CC1=O)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467031	0	44	-2.0	-85.01	389.01	-0.32	-85.33
CC(NC(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467065	0	43	-2.0	-85.38	384.90	-2.52	-87.90
CC(NC(=O)C1=NC(=O)N[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467226	0	42	-2.0	-84.97	379.50	-3.82	-88.79
CC(NC(=O)C1=CC(=O)N(C)[N-]1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025467309	0	46	-2.0	-87.92	407.72	-0.80	-88.72
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025467557	1	45	-2.0	-101.05	393.37	1.34	-99.71
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025468020	1	42	-2.0	-88.75	376.31	-2.70	-91.45
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025468087	0	44	-2.0	-89.85	394.66	-0.80	-90.65
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CN1[N-]C(C(=O)N[C@H]2CN(C(=O)CSC3=NNC(=O)[N-]3)CC[C@H]2F)=CC1=O	REAL300025471607	0	43	-2.0	-94.04	385.11	-1.36	-95.40
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O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CN(C(=O)C2=COC(=O)[N-]2)CC[C@H]1F	REAL300025472176	1	39	-2.0	-86.84	354.17	-2.81	-89.65
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CN(C(=O)C2=C[N-]N=CC2=O)CC[C@H]1F	REAL300025472229	0	41	-2.0	-92.18	372.22	-1.42	-93.60
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CN(C(=O)C2=CC(=O)N[N-]2)CC[C@H]1F	REAL300025472278	0	40	-2.0	-91.18	359.22	-2.87	-94.05
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CN(C(=O)C2=NC(=O)N[N-]2)CC[C@H]1F	REAL300025472299	0	39	-2.0	-88.54	354.00	-3.52	-92.06
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CN(C(=O)C2=CC=NC=C2[O-])CC[C@H]1F	REAL300025472541	0	42	-2.0	-107.40	374.31	-1.56	-108.96
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300025472543	0	39	-2.0	-93.79	353.97	-2.91	-96.70
CN1[N-]C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025472607	0	43	-2.0	-94.14	381.98	-1.18	-95.32
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300025472759	0	39	-2.0	-94.13	357.03	-2.58	-96.71
O=C(CSC1=NNC(=O)[N-]1)N1CCC(F)(CNC(=O)C2=CC(=O)N[N-]2)CC1	REAL300025473428	0	43	-2.0	-85.93	381.44	-2.35	-88.28
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300025473747	0	43	-2.0	-85.46	378.37	-2.14	-87.60
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C3=COC(=O)[N-]3)C2)C1	REAL300025474754	1	40	-2.0	-90.43	371.91	-2.27	-92.70
CN1N=C(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)[N-]C1=O	REAL300025474841	0	43	-2.0	-97.68	394.30	-1.52	-99.20
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300025474873	0	42	-2.0	-93.33	378.97	0.96	-92.37
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300025474907	0	41	-2.0	-90.87	376.84	-1.72	-92.59
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300025475076	0	40	-2.0	-90.82	371.43	-2.63	-93.45
CN1[N-]C(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)=CC1=O	REAL300025475163	0	44	-2.0	-93.37	399.47	-0.01	-93.38
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300025475412	1	43	-2.0	-103.43	388.43	1.89	-101.54
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C3=COC(=O)[N-]3)C2)C1	REAL300025475887	1	40	-2.0	-90.43	371.91	-2.27	-92.70
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300025475957	0	42	-2.0	-93.33	378.97	0.96	-92.37
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300025476016	0	41	-2.0	-90.87	376.84	-1.72	-92.59
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300025476050	0	40	-2.0	-90.82	371.43	-2.63	-93.45
CN1N=C(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)[N-]C1=O	REAL300025476264	0	43	-2.0	-97.68	394.30	-1.52	-99.20
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C3=CC=NC=C3[O-])C2)C1	REAL300025476394	0	43	-2.0	-103.46	384.91	1.16	-102.30
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300025476397	0	40	-2.0	-94.93	371.86	-1.38	-96.31
CN1[N-]C(C(=O)N2CC(C3CN(C(=O)CSC4=NNC(=O)[N-]4)C3)C2)=CC1=O	REAL300025476484	0	44	-2.0	-93.37	399.47	-0.01	-93.38
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C3=CC([O-])=CS3)C2)C1	REAL300025476574	0	41	-2.0	-101.52	383.99	0.40	-101.12
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300025476699	0	40	-2.0	-94.93	371.86	-1.38	-96.31
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=COC(=O)[N-]1	REAL300025478151	1	42	-2.0	-94.16	371.27	-1.03	-95.19
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300025478235	0	45	-2.0	-106.93	393.59	-0.87	-107.80
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=C[N-]N=CC1=O	REAL300025478263	0	44	-2.0	-101.88	389.97	0.46	-101.42
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)N[N-]1	REAL300025478297	0	43	-2.0	-98.95	376.34	-1.00	-99.95
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=NC(=O)N[N-]1	REAL300025478458	0	42	-2.0	-91.62	373.14	-1.61	-93.23
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300025478541	0	46	-2.0	-94.39	400.80	0.73	-93.66
CN(CC1CCN(C(=O)C2=NC=CC=C2[O-])C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025478789	1	45	-2.0	-120.25	387.04	2.55	-117.70
CN(CC1CCN(C(=O)C2=COC(=O)[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479252	1	42	-2.0	-96.00	370.54	-1.40	-97.40
CN(CC1CCN(C(=O)C2=C[N-]N=CC2=O)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479319	0	44	-2.0	-94.01	389.71	0.47	-93.54
CN(CC1CCN(C(=O)C2=CC(=O)N[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479376	0	43	-2.0	-99.66	376.15	-1.15	-100.81
CN(CC1CCN(C(=O)C2=NC(=O)N[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479408	0	42	-2.0	-91.13	371.06	-2.05	-93.18
CN(CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479611	0	45	-2.0	-98.65	393.71	-1.03	-99.68
CN(CC1CCN(C(=O)C2=CC=NC=C2[O-])C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479729	0	45	-2.0	-106.39	389.18	0.94	-105.45
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479731	0	42	-2.0	-94.32	371.98	-1.04	-95.36
CN(CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479811	0	46	-2.0	-102.94	398.89	0.55	-102.39
CN(CC1CCN(C(=O)C2=CC([O-])=CS2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025479895	0	43	-2.0	-111.44	382.76	0.83	-110.61
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300025480014	0	42	-2.0	-103.12	371.31	-0.93	-104.05
C[C@]1(CNC(=O)C2=COC(=O)[N-]2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480749	1	42	-2.0	-95.05	371.18	-3.00	-98.05
CN1N=C(C(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025480833	0	45	-2.0	-101.98	393.25	-1.80	-103.78
C[C@]1(CNC(=O)C2=C[N-]N=CC2=O)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480861	0	44	-2.0	-88.97	379.85	0.13	-88.84
C[C@]1(CNC(=O)C2=CC(=O)N[N-]2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025480895	0	43	-2.0	-95.53	376.00	-2.02	-97.55
C[C@]1(CNC(=O)C2=NC(=O)N[N-]2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025481056	0	42	-2.0	-95.09	370.60	-3.31	-98.40
CN1[N-]C(C(=O)NC[C@@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025481139	0	46	-2.0	-98.18	398.43	-0.32	-98.50
C[C@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=NC=CC=C1[O-]	REAL300025481387	1	45	-2.0	-108.41	384.75	1.76	-106.65
C[C@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=COC(=O)[N-]1	REAL300025481767	1	42	-2.0	-90.98	367.47	-1.84	-92.82
C[C@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300025481830	0	44	-2.0	-89.74	376.64	0.08	-89.66
C[C@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300025481878	0	43	-2.0	-93.51	372.26	-1.77	-95.28
C[C@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=NC(=O)N[N-]1	REAL300025481904	0	42	-2.0	-94.52	367.41	-2.71	-97.23
CN1N=C(C(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025482075	0	45	-2.0	-103.20	390.16	-1.77	-104.97
C[C@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC=NC=C1[O-]	REAL300025482174	0	45	-2.0	-108.76	376.97	0.95	-107.81
C[C@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300025482176	0	42	-2.0	-99.76	367.74	-1.72	-101.48
CN1[N-]C(C(=O)N2CCC[C@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025482247	0	46	-2.0	-96.42	395.07	-0.06	-96.48
C[C@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC([O-])=CS1	REAL300025482313	0	43	-2.0	-108.00	376.10	0.38	-107.62
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025482429	0	42	-2.0	-98.47	370.75	-1.53	-100.00
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CC2(NC(=O)C2=COC(=O)[N-]2)CC1	REAL300025482738	1	43	-2.0	-87.24	376.49	-3.00	-90.24
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CC2(NC(=O)C2=CC(=O)N[N-]2)CC1	REAL300025482809	0	44	-2.0	-87.06	382.66	-1.98	-89.04
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CC2(NC(=O)C2=NC(=O)N[N-]2)CC1	REAL300025482865	0	43	-2.0	-87.46	375.91	-3.30	-90.76
O=C(CSC1=NNC(=O)[N-]1)NC12CC1CCN(C(=O)C1=COC(=O)[N-]1)CC2	REAL300025483225	1	43	-2.0	-88.40	367.31	-1.89	-90.29
O=C(CSC1=NNC(=O)[N-]1)NC12CC1CCN(C(=O)C1=CC(=O)N[N-]1)CC2	REAL300025483279	0	44	-2.0	-89.50	372.17	-1.98	-91.48
O=C(CSC1=NNC(=O)[N-]1)NC12CC1CCN(C(=O)C1=NC(=O)N[N-]1)CC2	REAL300025483292	0	43	-2.0	-91.02	365.62	-2.59	-93.61
O=C(CSC1=NNC(=O)[N-]1)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300025483441	0	43	-2.0	-93.80	366.18	-2.02	-95.82
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300025483580	0	43	-2.0	-91.80	376.06	-1.52	-93.32
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC(NC(=O)C3=COC(=O)[N-]3)C2)C1	REAL300025483908	1	43	-2.0	-88.27	387.38	-3.11	-91.38
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC(NC(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300025483990	0	44	-2.0	-88.19	392.21	-2.13	-90.32
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC(NC(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300025484061	0	43	-2.0	-87.26	382.40	-3.16	-90.42
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CCN(C(=O)C1=COC(=O)[N-]1)C2	REAL300025484430	1	43	-2.0	-88.69	383.08	-2.08	-90.77
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300025484484	0	44	-2.0	-88.51	387.94	-1.96	-90.47
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CCN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300025484497	0	43	-2.0	-88.87	382.49	-2.76	-91.63
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300025484646	0	43	-2.0	-93.83	384.04	-1.83	-95.66
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300025484792	0	43	-2.0	-92.29	386.95	-1.64	-93.93
CC1CC(NC(=O)C2=NNC(=O)[N-]C2=O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485915	0	41	-2.0	-92.96	371.97	-5.27	-98.23
CC1CC(NC(=O)CN2C(=O)[N-]NC2=O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025485963	0	43	-2.0	-99.17	387.06	-3.57	-102.74
CC1CC(NC(=O)C2=CN([O-])C(=O)C=C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486303	0	43	-2.0	-108.96	384.10	0.87	-108.09
CC1CC(NC(=O)C2=CC(=O)NC([O-])=C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486378	0	43	-2.0	-87.59	383.48	-4.02	-91.61
CC1CC(NC(=O)C2=COC(=O)[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486389	1	39	-2.0	-87.14	355.58	-4.18	-91.32
CCN1[N-]C(C(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025486494	0	46	-2.0	-95.91	406.41	-0.52	-96.43
CC1CC(NC(=O)C2=NN(C)C(=O)[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486520	0	42	-2.0	-98.98	379.19	-2.97	-101.95
CC1CC(NC(=O)C2=C[N-]N=CC2=O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486572	0	41	-2.0	-79.57	365.67	-1.04	-80.61
CC1CC(NC(=O)C2=CC(=O)N[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486630	0	40	-2.0	-92.47	361.87	-3.16	-95.63
CC1CC(NC(=O)C(=O)[PH](C)(C)[O-])CN1C(=O)CSC1=NC(=O)NN1	REAL300025486635	0	45	-2.0	-94.08	394.41	-2.15	-96.23
CC1CC(NC(=O)C(=O)[PH](C)(C)[O-])CN1C(=O)CSC1=NC(=O)[N-]N1	REAL300025486635	1	45	-2.0	-94.08	394.41	-2.15	-96.23
CC1CC(NC(=O)CCC2=NC(=O)NN2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486653	0	45	-2.0	-98.90	397.28	-3.49	-102.39
CC1CC(NC(=O)CCC2=NC(=O)[N-]N2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486653	1	45	-2.0	-98.90	397.28	-3.49	-102.39
CC1CC(NC(=O)C2=CC=CN([O-])C2=O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486655	0	43	-2.0	-95.49	382.02	1.04	-94.45
CC1CC(NC(=O)C2=NC(=O)C(C)S2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486674	0	42	-2.0	-93.39	386.94	-3.06	-96.45
CC1=C([O-])N=C(C(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025486674	1	42	-2.0	-93.39	386.94	-3.06	-96.45
CC1CC(NC(=O)C2=CC(=O)N([O-])C=C2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486688	0	43	-2.0	-108.82	384.76	0.88	-107.94
CC1CC(NC(=O)C2=CC=CC(=O)N2[O-])CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486709	0	43	-2.0	-125.08	381.64	1.87	-123.21
CC1CC(NC(=O)CC2=NC([O-])=CS2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486810	0	42	-2.0	-110.88	387.90	-3.26	-114.14
CC1=CC(=O)C(C(=O)NC2CC(C)N(C(=O)CSC3=NNC(=O)[N-]3)C2)=N[N-]1	REAL300025486948	0	44	-2.0	-90.86	389.13	0.59	-90.27
CC1CC(NC(=O)C2=NC(=O)N[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025486958	0	39	-2.0	-92.99	356.46	-4.45	-97.44
CC1CC(NC(=O)C2=CC(=O)N(C)[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025487124	0	43	-2.0	-91.61	384.57	-1.48	-93.09
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NC=CC=C1[O-]	REAL300025487374	1	42	-2.0	-103.15	370.52	0.69	-102.46
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300025487459	0	41	-2.0	-96.07	369.67	-5.11	-101.18
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CN1C(=O)[N-]NC1=O	REAL300025487536	0	43	-2.0	-96.16	387.43	-3.64	-99.80
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=COC(=O)[N-]1	REAL300025488179	1	39	-2.0	-97.64	353.33	-3.10	-100.74
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC=C([O-])C=C1F	REAL300025488238	1	43	-2.0	-94.25	381.40	0.01	-94.24
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300025488241	0	42	-2.0	-96.46	378.41	-0.58	-97.04
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=C[N-]N=CC1=O	REAL300025488291	0	41	-2.0	-90.07	370.88	-1.42	-91.49
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300025488296	0	43	-2.0	-102.94	380.40	0.99	-101.95
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC=CC([O-])=C1F	REAL300025488342	1	43	-2.0	-101.40	380.66	0.01	-101.39
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)N[N-]1	REAL300025488396	0	40	-2.0	-93.74	358.48	-2.98	-96.72
CC1CC(NC(=O)CSC2=NC(=O)NN2)CN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300025488400	0	45	-2.0	-94.90	391.38	-2.25	-97.15
CC1CC(NC(=O)CSC2=NC(=O)[N-]N2)CN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300025488400	1	45	-2.0	-94.90	391.38	-2.25	-97.15
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300025488438	0	43	-2.0	-107.53	389.86	0.76	-106.77
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NC(=O)N[N-]1	REAL300025488452	0	39	-2.0	-96.89	353.26	-3.71	-100.60
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC=CN([O-])C1=O	REAL300025488455	0	43	-2.0	-121.30	388.27	0.74	-120.56
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(F)=CC=C1O	REAL300025488538	0	43	-2.0	-96.68	381.17	0.81	-95.87
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300025488538	1	43	-2.0	-96.68	381.17	0.81	-95.87
CC1=CC=NC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)=C1O	REAL300025488576	0	45	-2.0	-102.72	390.41	1.36	-101.36
CC1=CC=NC(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)=C1[O-]	REAL300025488576	1	45	-2.0	-102.72	390.41	1.36	-101.36
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)CC1=NC([O-])=CS1	REAL300025488696	0	42	-2.0	-107.84	388.27	-3.30	-111.14
CC1=CC(=O)C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)=N[N-]1	REAL300025488774	0	44	-2.0	-97.24	386.86	0.75	-96.49
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300025488784	0	43	-2.0	-114.28	386.67	0.49	-113.79
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300025488817	0	42	-2.0	-99.27	376.00	-2.81	-102.08
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC=C(F)C(O)=C1	REAL300025488914	0	43	-2.0	-101.98	381.76	-0.04	-102.02
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300025488914	1	43	-2.0	-101.98	381.76	-0.04	-102.02
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025488950	0	41	-2.0	-98.82	369.80	-5.56	-104.38
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025488950	1	41	-2.0	-92.33	371.78	-4.67	-97.00
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300025488977	1	43	-2.0	-104.66	386.41	-2.71	-107.37
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC=NC=C1[O-]	REAL300025489041	0	42	-2.0	-103.43	369.80	-0.62	-104.05
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300025489046	0	39	-2.0	-99.13	353.18	-2.83	-101.96
CC1=C([O-])N=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)S1	REAL300025489058	1	42	-2.0	-105.72	385.13	-2.33	-108.05
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300025489138	0	43	-2.0	-93.60	389.11	-4.18	-97.78
CCN1[N-]C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)=CC1=O	REAL300025489174	0	46	-2.0	-96.25	402.74	-0.34	-96.59
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300025489186	0	43	-2.0	-94.14	379.72	-1.36	-95.50
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300025489250	1	43	-2.0	-99.25	381.72	-0.00	-99.25
CC1=CN=C(C(=O)N2CC(NC(=O)CSC3=NNC(=O)[N-]3)CC2C)C([O-])=C1	REAL300025489295	1	45	-2.0	-104.18	391.81	1.32	-102.86
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC([O-])=CS1	REAL300025489306	0	40	-2.0	-100.65	363.67	-1.09	-101.74
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300025489315	0	43	-2.0	-107.61	387.01	0.71	-106.90
CC1CC(NC(=O)C2=NC(=O)[N-]C(=O)N2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025489406	0	41	-2.0	-84.88	375.21	-5.47	-90.35
CC1CC(NC(=O)C2=NC(=O)NC(=O)[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025489406	1	41	-2.0	-84.88	375.21	-5.47	-90.35
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025489505	0	39	-2.0	-96.54	356.61	-2.68	-99.22
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2(CN(C(=O)C3=COC(=O)N3)C2)C1	REAL300025489855	0	41	-2.0	-88.73	369.03	-3.98	-92.71
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2(CN(C(=O)C3=COC(=O)[N-]3)C2)C1	REAL300025489855	1	41	-2.0	-88.73	369.03	-3.98	-92.71
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2(CN(C(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300025489933	0	42	-2.0	-91.99	373.88	-3.42	-95.41
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2(CN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300025490001	0	41	-2.0	-92.13	370.12	-4.33	-96.46
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=COC(=O)[N-]1)CCO2	REAL300025490357	1	41	-2.0	-99.92	369.08	-3.03	-102.95
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)N[N-]1)CCO2	REAL300025490409	0	42	-2.0	-86.80	372.71	-3.25	-90.05
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=NC(=O)N[N-]1)CCO2	REAL300025490419	0	41	-2.0	-85.50	367.51	-3.86	-89.36
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300025490564	0	41	-2.0	-107.26	368.83	-3.12	-110.38
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300025490703	0	41	-2.0	-92.70	368.89	-3.10	-95.80
CC1CN(C(=O)C2=COC(=O)[N-]2)CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025491053	1	45	-2.0	-94.31	373.41	0.77	-93.54
CC1CN(C(=O)C2=CC(=O)N[N-]2)CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025491131	0	46	-2.0	-99.71	384.27	0.09	-99.62
CC1CN(C(=O)C2=NC(=O)N[N-]2)CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025491199	0	45	-2.0	-98.33	379.03	-0.37	-98.70
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)N(C(=O)C2=COC(=O)[N-]2)C1	REAL300025491519	1	45	-2.0	-97.25	376.85	0.08	-97.17
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)N(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025491569	0	46	-2.0	-102.20	375.69	-0.36	-102.56
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)N(C(=O)C2=NNC(=O)[N-]2)C1	REAL300025491577	0	45	-2.0	-103.98	376.96	-1.65	-105.63
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025491694	0	45	-2.0	-105.61	376.97	-0.05	-105.66
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025491817	0	45	-2.0	-104.84	372.34	-0.22	-105.06
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CNC(=O)C2=COC(=O)[N-]2)C1	REAL300025493286	1	44	-2.0	-89.57	382.63	-6.01	-95.58
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300025493352	0	45	-2.0	-91.91	386.83	-5.04	-96.95
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300025493411	0	44	-2.0	-90.07	382.05	-6.31	-96.38
CN1CCN(C(=O)C2=COC(=O)[N-]2)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025493705	1	44	-2.0	-88.79	377.83	-3.87	-92.66
CN1CCN(C(=O)C2=CC(=O)N[N-]2)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025493750	0	45	-2.0	-94.23	382.56	-3.98	-98.21
CN1CCN(C(=O)C2=NC(=O)N[N-]2)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025493757	0	44	-2.0	-89.37	377.58	-4.47	-93.84
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025493859	0	44	-2.0	-98.71	377.41	-4.00	-102.71
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300025493963	0	44	-2.0	-93.89	382.20	-4.54	-98.43
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC(CNC(=O)C2=COC(=O)[N-]2)C1	REAL300025495391	1	43	-2.0	-92.42	379.76	-4.78	-97.20
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC(CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300025495457	0	44	-2.0	-90.58	384.61	-3.78	-94.36
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC(CNC(=O)C2=NC(=O)N[N-]2)C1	REAL300025495514	0	43	-2.0	-91.70	379.14	-5.08	-96.78
O=C(CSC1=NNC(=O)[N-]1)NCC1COCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025495824	1	43	-2.0	-93.03	375.88	-3.23	-96.26
O=C(CSC1=NNC(=O)[N-]1)NCC1COCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025495870	0	44	-2.0	-91.94	380.75	-3.51	-95.45
O=C(CSC1=NNC(=O)[N-]1)NCC1COCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025495879	0	43	-2.0	-93.81	374.20	-3.81	-97.62
O=C(CSC1=NNC(=O)[N-]1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025495998	0	43	-2.0	-99.02	375.97	-3.50	-102.52
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300025496112	0	43	-2.0	-94.56	379.35	-3.29	-97.85
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=COC(=O)[N-]2)CC1CO	REAL300025496454	1	43	-2.0	-83.59	366.05	-2.56	-86.15
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)N[N-]2)CC1CO	REAL300025496520	0	44	-2.0	-83.94	370.81	-2.76	-86.70
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=NC(=O)N[N-]2)CC1CO	REAL300025496577	0	43	-2.0	-95.32	365.04	-3.30	-98.62
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=COC(=O)[N-]2)C(CO)C1	REAL300025496856	1	43	-2.0	-99.03	363.52	-2.63	-101.66
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)N[N-]2)C(CO)C1	REAL300025496900	0	44	-2.0	-99.82	368.38	-2.86	-102.68
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=NNC(=O)[N-]2)C(CO)C1	REAL300025496907	0	43	-2.0	-103.49	363.88	-4.71	-108.20
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300025497004	0	43	-2.0	-104.81	364.12	-3.28	-108.09
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300025497105	0	43	-2.0	-102.90	364.75	-3.03	-105.93
O=C(CSC1=NNC(=O)[N-]1)N1CC=CC(NC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300025497980	0	39	-2.0	-93.16	361.65	-5.26	-98.42
O=C(CN1C(=O)[N-]NC1=O)NC1C=CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025498030	0	41	-2.0	-97.03	375.63	-3.58	-100.61
O=C(CSC1=NNC(=O)[N-]1)N1CC=CC(NC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300025498396	0	41	-2.0	-105.61	372.60	0.91	-104.70
O=C(CSC1=NNC(=O)[N-]1)N1CC=CC(NC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300025498471	0	41	-2.0	-87.23	373.06	-4.04	-91.27
O=C(CSC1=NNC(=O)[N-]1)N1CC=CC(NC(=O)C2=COC(=O)[N-]2)C1	REAL300025498482	1	37	-2.0	-87.57	345.14	-4.18	-91.75
CCN1[N-]C(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025498591	0	44	-2.0	-94.63	394.64	-0.54	-95.17
CN1N=C(C(=O)NC2C=CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025498619	0	40	-2.0	-96.93	367.41	-2.99	-99.92
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CC1SC(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=NC1=O	REAL300025501625	0	40	-2.0	-91.01	373.59	-2.15	-93.16
CC1=C([O-])N=C(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)S1	REAL300025501625	1	40	-2.0	-91.01	373.59	-2.15	-93.16
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300025501721	0	41	-2.0	-86.75	377.63	-4.24	-90.99
CCN1[N-]C(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025501762	0	44	-2.0	-89.94	391.66	-0.35	-90.29
CN1[N-]C(C(=O)N2CC=CC(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025501778	0	41	-2.0	-88.99	369.85	-1.29	-90.28
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COC1(CNC(=O)C2=COC(=O)[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503368	1	40	-2.0	-90.04	374.38	-6.15	-96.19
COC1(CNC(=O)C2=NN(C)C(=O)[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503448	0	43	-2.0	-97.82	395.04	-4.82	-102.64
COC1(CNC(=O)C2=C[N-]N=CC2=O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503473	0	42	-2.0	-81.66	382.27	-3.13	-84.79
COC1(CNC(=O)C2=CC(=O)N[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503505	0	41	-2.0	-87.69	377.70	-5.30	-92.99
COC1(CNC(=O)C2=NC(=O)N[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503651	0	40	-2.0	-90.02	373.80	-6.45	-96.47
COC1(CNC(=O)C2=CC(=O)N(C)[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025503726	0	44	-2.0	-90.06	400.86	-3.57	-93.63
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025503963	1	43	-2.0	-102.08	388.39	-1.55	-103.63
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025504390	1	40	-2.0	-87.79	370.58	-5.82	-93.61
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025504451	0	42	-2.0	-91.56	378.27	-2.55	-94.11
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025504504	0	41	-2.0	-88.56	375.41	-5.26	-93.82
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025504532	0	40	-2.0	-88.08	368.76	-6.27	-94.35
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300025504715	0	43	-2.0	-95.47	391.42	-5.04	-100.51
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300025504819	0	43	-2.0	-102.46	385.12	-2.22	-104.68
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025504821	0	40	-2.0	-92.07	370.43	-4.95	-97.02
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300025504895	0	44	-2.0	-91.31	398.23	-3.55	-94.86
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300025504970	0	41	-2.0	-100.92	383.96	-3.03	-103.95
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025505075	0	40	-2.0	-94.06	373.95	-4.67	-98.73
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=COC(=O)[N-]3)C[C@@H]2C1	REAL300025505416	1	43	-2.0	-92.63	370.08	-0.86	-93.49
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)N[N-]3)C[C@@H]2C1	REAL300025505498	0	44	-2.0	-98.16	376.24	-0.58	-98.74
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=NC(=O)N[N-]3)C[C@@H]2C1	REAL300025505569	0	43	-2.0	-94.68	370.97	-1.16	-95.84
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O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=NC(=O)N[N-]3)C[C@H]2C1	REAL300025506005	0	43	-2.0	-105.60	370.54	-1.47	-107.07
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300025506154	0	43	-2.0	-102.45	370.14	-0.81	-103.26
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O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=NNC(=O)[N-]C1=O	REAL300025506978	0	39	-2.0	-98.76	360.13	-4.97	-103.73
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O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CN([O-])C(=O)C=C1	REAL300025507321	0	41	-2.0	-109.51	371.27	1.22	-108.29
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)NC([O-])=C1	REAL300025507385	0	41	-2.0	-95.18	373.43	-3.99	-99.17
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=COC(=O)[N-]1	REAL300025507396	1	37	-2.0	-99.39	343.94	-3.84	-103.23
CCN1[N-]C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)=CC1=O	REAL300025507493	0	44	-2.0	-100.22	393.39	-0.25	-100.47
CN1N=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)[N-]C1=O	REAL300025507517	0	40	-2.0	-101.54	367.55	-2.96	-104.50
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=C[N-]N=CC1=O	REAL300025507563	0	39	-2.0	-90.08	352.85	-0.73	-90.81
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)N[N-]1	REAL300025507619	0	38	-2.0	-94.42	350.04	-3.16	-97.58
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NC(=O)NN1)C2	REAL300025507623	0	43	-2.0	-94.97	388.35	-1.73	-96.70
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NC(=O)[N-]N1)C2	REAL300025507623	1	43	-2.0	-94.97	388.35	-1.73	-96.70
O=C(CCC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507642	0	43	-2.0	-98.03	386.69	-3.00	-101.03
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC=CN([O-])C1=O	REAL300025507644	0	41	-2.0	-113.25	368.81	1.33	-111.92
CC1SC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)=NC1=O	REAL300025507663	0	40	-2.0	-107.51	375.47	-2.75	-110.26
CC1=C([O-])N=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)S1	REAL300025507663	1	40	-2.0	-107.51	375.47	-2.75	-110.26
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)N([O-])C=C1	REAL300025507675	0	41	-2.0	-112.68	371.94	1.19	-111.49
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC=CC(=O)N1[O-]	REAL300025507695	0	41	-2.0	-123.33	369.27	2.18	-121.15
O=C(CC1=NC([O-])=CS1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CSC1=NNC(=O)[N-]1)C2	REAL300025507786	0	40	-2.0	-108.00	375.24	-2.98	-110.98
CC1=CC(=O)C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)=N[N-]1	REAL300025507914	0	42	-2.0	-99.53	377.33	0.89	-98.64
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=NC(=O)N[N-]1	REAL300025507922	0	37	-2.0	-97.45	344.89	-4.46	-101.91
CN1[N-]C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)CSC2=NNC(=O)[N-]2)C3)=CC1=O	REAL300025508068	0	41	-2.0	-99.37	371.58	-1.19	-100.56
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NC=CC=C1[O-])C2	REAL300025508318	1	40	-2.0	-110.37	358.04	0.77	-109.60
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300025508411	0	39	-2.0	-102.74	358.02	-4.95	-107.69
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CN1C(=O)[N-]NC1=O)C2	REAL300025508501	0	41	-2.0	-96.66	375.47	-2.90	-99.56
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=COC(=O)[N-]1)C2	REAL300025509345	1	37	-2.0	-91.40	341.62	-3.36	-94.76
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C([O-])C=C1F)C2	REAL300025509412	1	41	-2.0	-100.34	369.18	0.33	-100.01
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC([O-])=CC(=O)O1)C2	REAL300025509415	0	40	-2.0	-93.28	368.28	-0.63	-93.91
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C[N-]N=CC1=O)C2	REAL300025509475	0	39	-2.0	-96.48	358.94	-1.09	-97.57
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=CC(F)=C1[O-])C2	REAL300025509482	0	41	-2.0	-119.52	364.62	1.84	-117.68
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=CC([O-])=C1F)C2	REAL300025509540	1	41	-2.0	-116.03	364.95	0.21	-115.82
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)N[N-]1)C2	REAL300025509610	0	38	-2.0	-94.33	346.45	-2.87	-97.20
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NC(=O)NN1	REAL300025509615	0	43	-2.0	-97.69	380.40	-1.79	-99.48
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CSC1=NC(=O)[N-]N1	REAL300025509615	1	43	-2.0	-97.69	380.40	-1.79	-99.48
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300025509663	0	41	-2.0	-113.63	368.15	0.36	-113.27
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NNC(=O)[N-]1)C2	REAL300025509679	0	37	-2.0	-97.13	342.48	-4.60	-101.73
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300025509684	0	41	-2.0	-123.56	376.67	0.75	-122.81
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(F)=CC=C1O)C2	REAL300025509786	0	41	-2.0	-108.53	370.34	1.30	-107.23
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(F)=CC=C1[O-])C2	REAL300025509786	1	41	-2.0	-108.53	370.34	1.30	-107.23
CC1=CC=NC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)=C1O	REAL300025509828	0	43	-2.0	-111.06	378.54	1.47	-109.59
CC1=CC=NC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)=C1[O-]	REAL300025509828	1	43	-2.0	-111.06	378.54	1.47	-109.59
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CC1=NC([O-])=CS1)C2	REAL300025509969	0	40	-2.0	-110.63	376.52	-2.54	-113.17
CC1=CC(=O)C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)=N[N-]1	REAL300025510068	0	42	-2.0	-100.93	375.23	0.92	-100.01
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300025510083	0	41	-2.0	-134.50	363.94	1.71	-132.79
CN1N=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025510127	0	40	-2.0	-100.25	365.24	-2.94	-103.19
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C(F)C([O-])=C1)C2	REAL300025510246	1	41	-2.0	-95.25	368.39	-0.13	-95.38
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300025510293	0	39	-2.0	-89.81	359.65	-4.75	-94.56
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300025510293	1	39	-2.0	-89.81	359.65	-4.75	-94.56
NC1=NC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C(=O)N1	REAL300025510328	0	41	-2.0	-108.39	373.62	-2.45	-110.84
NC1=NC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C(=O)[N-]1	REAL300025510328	1	41	-2.0	-108.39	373.62	-2.45	-110.84
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300025510415	0	37	-2.0	-97.48	341.45	-2.55	-100.03
CC1SC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)=NC1=O	REAL300025510430	0	40	-2.0	-97.02	373.38	-2.44	-99.46
CC1=C([O-])N=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)S1	REAL300025510430	1	40	-2.0	-97.02	373.38	-2.44	-99.46
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300025510526	0	41	-2.0	-92.12	367.82	-4.49	-96.61
CCN1[N-]C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025510567	0	44	-2.0	-99.61	391.23	-0.23	-99.84
CN1[N-]C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025510583	0	41	-2.0	-97.22	369.18	-1.15	-98.37
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C(O)C(F)=C1)C2	REAL300025510665	0	41	-2.0	-101.59	368.35	-0.10	-101.69
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C([O-])C(F)=C1)C2	REAL300025510665	1	41	-2.0	-101.59	368.35	-0.10	-101.69
CC1=CN=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C(O)=C1	REAL300025510726	0	43	-2.0	-113.06	379.63	1.42	-111.64
CC1=CN=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)CSC2=NNC(=O)[N-]2)C([O-])=C1	REAL300025510726	1	43	-2.0	-113.06	379.63	1.42	-111.64
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC([O-])=CS1)C2	REAL300025510739	0	38	-2.0	-106.60	354.76	-1.06	-107.66
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300025510750	0	41	-2.0	-113.80	366.04	0.68	-113.12
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300025510831	0	39	-2.0	-102.71	361.89	-5.93	-108.64
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300025510831	1	39	-2.0	-94.47	362.36	-5.19	-99.66
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300025510922	0	37	-2.0	-102.54	343.77	-2.44	-104.98
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@H](NC(=O)C3=COC(=O)[N-]3)C[C@@H]21	REAL300025512230	1	40	-2.0	-86.13	360.51	-3.50	-89.63
CN1N=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025512317	0	43	-2.0	-92.84	382.81	-2.27	-95.11
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@H](NC(=O)C3=C[N-]N=CC3=O)C[C@@H]21	REAL300025512349	0	42	-2.0	-84.80	359.71	0.24	-84.56
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)N[N-]3)C[C@@H]21	REAL300025512383	0	41	-2.0	-86.54	365.32	-2.51	-89.05
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@H](NC(=O)C3=NC(=O)N[N-]3)C[C@@H]21	REAL300025512552	0	40	-2.0	-86.17	359.96	-3.79	-89.96
CN1[N-]C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025512639	0	44	-2.0	-89.21	388.13	-0.81	-90.02
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NC=CC=C1[O-]	REAL300025512888	1	43	-2.0	-103.01	373.96	1.32	-101.69
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=COC(=O)[N-]1	REAL300025513277	1	40	-2.0	-87.74	357.30	-2.62	-90.36
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=C[N-]N=CC1=O	REAL300025513343	0	42	-2.0	-87.81	375.91	-0.74	-88.55
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)N[N-]1	REAL300025513392	0	41	-2.0	-88.66	361.97	-2.38	-91.04
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NC(=O)N[N-]1	REAL300025513419	0	40	-2.0	-87.89	356.93	-3.22	-91.11
CN1N=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)[N-]C1=O	REAL300025513601	0	43	-2.0	-95.51	379.52	-2.22	-97.73
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=NC=C1[O-]	REAL300025513710	0	43	-2.0	-99.88	374.80	-0.28	-100.16
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300025513713	0	40	-2.0	-92.03	357.08	-2.20	-94.23
CN1[N-]C(C(=O)N2CC[C@@H]3[C@H](NC(=O)CSC4=NNC(=O)[N-]4)C[C@@H]32)=CC1=O	REAL300025513791	0	44	-2.0	-91.53	384.96	-0.70	-92.23
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC([O-])=CS1	REAL300025513863	0	41	-2.0	-100.00	364.25	0.36	-99.64
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300025513985	0	40	-2.0	-90.77	360.09	-2.03	-92.80
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3=NNC(=O)[N-]C3=O)[C@@H]21	REAL300025514677	0	39	-2.0	-101.42	365.78	-5.11	-106.53
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025514720	0	41	-2.0	-96.60	377.77	-3.57	-100.17
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3=CN([O-])C(=O)C=C3)[C@@H]21	REAL300025515020	0	41	-2.0	-112.93	376.96	1.05	-111.88
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)NC([O-])=C3)[C@@H]21	REAL300025515084	0	41	-2.0	-88.47	375.06	-4.00	-92.47
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3=COC(=O)[N-]3)[C@@H]21	REAL300025515095	1	37	-2.0	-89.17	347.13	-4.16	-93.33
CCN1[N-]C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)=CC1=O	REAL300025515192	0	44	-2.0	-99.16	398.78	-0.40	-99.56
CN1N=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)[N-]C1=O	REAL300025515216	0	40	-2.0	-102.38	371.47	-2.85	-105.23
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3=C[N-]N=CC3=O)[C@@H]21	REAL300025515262	0	39	-2.0	-82.71	356.19	-1.01	-83.72
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)N[N-]3)[C@@H]21	REAL300025515318	0	38	-2.0	-95.12	354.17	-3.04	-98.16
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NC(=O)NN3)[C@H]21	REAL300025515322	0	43	-2.0	-94.18	390.62	-2.35	-96.53
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NC(=O)[N-]N3)[C@H]21	REAL300025515322	1	43	-2.0	-94.18	390.62	-2.35	-96.53
O=C(CCC1=NC(=O)NN1)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515341	0	43	-2.0	-99.21	387.88	-3.50	-102.71
O=C(CCC1=NC(=O)[N-]N1)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515341	1	43	-2.0	-99.21	387.88	-3.50	-102.71
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC=CN([O-])C3=O)[C@@H]21	REAL300025515343	0	41	-2.0	-103.37	374.44	1.20	-102.17
CC1SC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)=NC1=O	REAL300025515362	0	40	-2.0	-95.28	378.63	-3.05	-98.33
CC1=C([O-])N=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)S1	REAL300025515362	1	40	-2.0	-95.28	378.63	-3.05	-98.33
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)N([O-])C=C3)[C@@H]21	REAL300025515374	0	41	-2.0	-112.72	377.40	1.05	-111.67
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC=CC(=O)N3[O-])[C@@H]21	REAL300025515394	0	41	-2.0	-133.05	374.32	2.01	-131.04
O=C(CC1=NC([O-])=CS1)N[C@@H]1[C@H]2CCN(C(=O)CSC3=NNC(=O)[N-]3)[C@H]21	REAL300025515485	0	40	-2.0	-115.59	380.74	-3.12	-118.71
CC1=CC(=O)C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)=N[N-]1	REAL300025515613	0	42	-2.0	-101.54	383.18	0.74	-100.80
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3=NC(=O)N[N-]3)[C@@H]21	REAL300025515621	0	37	-2.0	-89.14	346.54	-4.47	-93.61
CN1[N-]C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)CSC4=NNC(=O)[N-]4)[C@H]32)=CC1=O	REAL300025515767	0	41	-2.0	-98.04	376.91	-1.33	-99.37
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=NC=CC=C3O)[C@H]21	REAL300025516017	0	40	-2.0	-107.22	364.42	0.58	-106.64
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=NC=CC=C3[O-])[C@H]21	REAL300025516017	1	40	-2.0	-107.22	364.42	0.58	-106.64
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=NNC(=O)[N-]C3=O)[C@H]21	REAL300025516106	0	39	-2.0	-104.37	364.01	-5.10	-109.47
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)CN3C(=O)[N-]NC3=O)[C@H]21	REAL300025516187	0	41	-2.0	-102.22	379.97	-3.51	-105.73
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=COC(=O)[N-]3)[C@H]21	REAL300025516888	1	37	-2.0	-92.81	345.91	-2.92	-95.73
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C([O-])C=C3F)[C@H]21	REAL300025516952	1	41	-2.0	-93.57	372.99	0.01	-93.56
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC([O-])=CC(=O)O3)[C@H]21	REAL300025516955	0	40	-2.0	-93.29	368.97	-0.56	-93.85
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=C[N-]N=CC3=O)[C@H]21	REAL300025517006	0	39	-2.0	-88.87	356.88	-1.54	-90.41
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC=CC(F)=C3[O-])[C@H]21	REAL300025517011	0	41	-2.0	-113.93	370.46	1.56	-112.37
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC=CC([O-])=C3F)[C@H]21	REAL300025517060	1	41	-2.0	-113.62	370.78	-0.06	-113.68
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)N[N-]3)[C@H]21	REAL300025517120	0	38	-2.0	-91.14	348.75	-2.94	-94.08
C[PH](C)([O-])C(=O)C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NC(=O)NN3)[C@@H]21	REAL300025517124	0	43	-2.0	-101.10	389.98	-2.18	-103.28
C[PH](C)([O-])C(=O)C(=O)N1CC[C@@H]2[C@@H](NC(=O)CSC3=NC(=O)[N-]N3)[C@@H]21	REAL300025517124	1	43	-2.0	-101.10	389.98	-2.18	-103.28
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)N([O-])C=C3)[C@H]21	REAL300025517165	0	41	-2.0	-104.75	379.90	0.77	-103.98
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=NC(=O)N[N-]3)[C@H]21	REAL300025517181	0	37	-2.0	-94.60	345.79	-3.57	-98.17
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC=CN([O-])C3=O)[C@H]21	REAL300025517185	0	41	-2.0	-110.81	381.82	0.88	-109.93
NC1=CC(=O)[N-]C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)=N1	REAL300025517250	0	41	-2.0	-106.50	376.54	-3.42	-109.92
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(F)=CC=C3[O-])[C@H]21	REAL300025517274	1	41	-2.0	-107.08	370.37	1.60	-105.48
CC1=CC=NC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)=C1[O-]	REAL300025517313	1	43	-2.0	-106.87	384.73	1.27	-105.60
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)CC3=NC([O-])=CS3)[C@H]21	REAL300025517440	0	40	-2.0	-106.77	378.49	-3.29	-110.06
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C(F)C=C3[O-])[C@H]21	REAL300025517450	0	41	-2.0	-101.67	372.66	1.35	-100.32
CC1=CC(=O)C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)=N[N-]1	REAL300025517522	0	42	-2.0	-95.61	377.20	0.78	-94.83
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC=CC(=O)N3[O-])[C@H]21	REAL300025517532	0	41	-2.0	-112.36	381.47	0.66	-111.70
CN1N=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)[N-]C1=O	REAL300025517567	0	40	-2.0	-104.39	368.31	-2.66	-107.05
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C(F)C([O-])=C3)[C@H]21	REAL300025517669	1	41	-2.0	-100.38	371.95	-0.08	-100.46
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=NC(=O)[N-]C(=O)N3)[C@H]21	REAL300025517707	0	39	-2.0	-88.96	362.19	-4.69	-93.65
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=NC(=O)NC(=O)[N-]3)[C@H]21	REAL300025517707	1	39	-2.0	-88.96	362.19	-4.69	-93.65
NC1=NC=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C(=O)N1	REAL300025517735	0	41	-2.0	-102.20	380.10	-2.58	-104.78
NC1=NC=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C(=O)[N-]1	REAL300025517735	1	41	-2.0	-102.20	380.10	-2.58	-104.78
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300025517810	0	37	-2.0	-94.34	343.75	-2.82	-97.16
CC1SC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)=NC1=O	REAL300025517822	0	40	-2.0	-98.38	377.74	-2.15	-100.53
CC1=C([O-])N=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)S1	REAL300025517822	1	40	-2.0	-98.38	377.74	-2.15	-100.53
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)NC([O-])=C3)[C@H]21	REAL300025517906	0	41	-2.0	-94.08	382.11	-4.05	-98.13
CCN1[N-]C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)=CC1=O	REAL300025517945	0	44	-2.0	-95.05	393.14	-0.33	-95.38
CN1[N-]C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)=CC1=O	REAL300025517957	0	41	-2.0	-94.27	371.35	-1.27	-95.54
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C(O)C(F)=C3)[C@H]21	REAL300025518023	0	41	-2.0	-96.79	371.92	-0.04	-96.83
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C([O-])C(F)=C3)[C@H]21	REAL300025518023	1	41	-2.0	-96.79	371.92	-0.04	-96.83
CC1=CN=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C(O)=C1	REAL300025518074	0	43	-2.0	-105.29	381.88	1.34	-103.95
CC1=CN=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CSC4=NNC(=O)[N-]4)[C@@H]32)C([O-])=C1	REAL300025518074	1	43	-2.0	-105.29	381.88	1.34	-103.95
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC([O-])=CS3)[C@H]21	REAL300025518086	0	38	-2.0	-102.47	355.97	-1.21	-103.68
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CN([O-])C(=O)C=C3)[C@H]21	REAL300025518095	0	41	-2.0	-104.44	372.46	0.46	-103.98
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3=NC(=O)[N-]C(=O)N3)[C@@H]21	REAL300025518173	0	39	-2.0	-91.12	365.08	-6.22	-97.34
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3=NC(=O)NC(=O)[N-]3)[C@@H]21	REAL300025518173	1	39	-2.0	-90.98	367.91	-5.36	-96.34
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300025518264	0	37	-2.0	-97.76	348.89	-2.57	-100.33
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1(NC(=O)C2=COC(=O)[N-]2)CC1	REAL300025519028	1	43	-2.0	-94.33	377.85	-2.78	-97.11
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1(NC(=O)C2=CC(=O)N[N-]2)CC1	REAL300025519099	0	44	-2.0	-94.50	382.69	-1.79	-96.29
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1(NC(=O)C2=NC(=O)N[N-]2)CC1	REAL300025519155	0	43	-2.0	-92.93	371.60	-3.26	-96.19
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CCCN2C(=O)C2=COC(=O)[N-]2)CC1	REAL300025519479	1	43	-2.0	-90.48	374.01	-1.67	-92.15
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CCCN2C(=O)C2=CC(=O)N[N-]2)CC1	REAL300025519531	0	44	-2.0	-93.73	381.68	-1.25	-94.98
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CCCN2C(=O)C2=NC(=O)N[N-]2)CC1	REAL300025519541	0	43	-2.0	-92.25	374.55	-2.41	-94.66
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300025519661	0	43	-2.0	-97.15	373.87	-1.45	-98.60
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300025519784	0	43	-2.0	-97.44	377.14	-1.29	-98.73
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CF)(NC(=O)C2=COC(=O)[N-]2)C1	REAL300025520441	1	39	-2.0	-93.46	360.13	-4.27	-97.73
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CF)(NC(=O)C2=C[N-]N=CC2=O)C1	REAL300025520521	0	41	-2.0	-85.17	369.18	-1.11	-86.28
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CF)(NC(=O)C2=CC(=O)N[N-]2)C1	REAL300025520547	0	40	-2.0	-92.61	362.76	-3.41	-96.02
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CF)(NC(=O)C2=NC(=O)N[N-]2)C1	REAL300025520648	0	39	-2.0	-92.28	357.37	-4.70	-96.98
CN1[N-]C(C(=O)NC2(CF)CCN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025520695	0	43	-2.0	-95.11	385.53	-1.69	-96.80
O=C(CSC1=NNC(=O)[N-]1)NC1(CF)CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025520909	1	42	-2.0	-99.37	373.35	0.52	-98.85
O=C(CSC1=NNC(=O)[N-]1)NC1(CF)CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025521264	1	39	-2.0	-87.76	355.87	-3.29	-91.05
O=C(CSC1=NNC(=O)[N-]1)NC1(CF)CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025521317	0	41	-2.0	-95.72	375.38	-1.53	-97.25
O=C(CSC1=NNC(=O)[N-]1)NC1(CF)CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025521366	0	40	-2.0	-88.08	361.67	-3.17	-91.25
O=C(CSC1=NNC(=O)[N-]1)NC1(CF)CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025521387	0	39	-2.0	-91.26	354.31	-4.15	-95.41
O=C(CSC1=NNC(=O)[N-]1)NC1(CF)CCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300025521629	0	42	-2.0	-106.32	365.02	-0.52	-106.84
O=C(CSC1=NNC(=O)[N-]1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025521631	0	39	-2.0	-96.08	356.84	-3.00	-99.08
CN1[N-]C(C(=O)N2CCC(CF)(NC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025521695	0	43	-2.0	-88.02	382.81	-1.40	-89.42
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300025521839	0	39	-2.0	-90.65	358.03	-2.78	-93.43
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1C(CNC(=O)C1=COC(=O)[N-]1)C2	REAL300025522175	1	43	-2.0	-91.64	384.52	-2.89	-94.53
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1C(CNC(=O)C1=CC(=O)N[N-]1)C2	REAL300025522257	0	44	-2.0	-94.94	389.55	-1.89	-96.83
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1C(CNC(=O)C1=NC(=O)N[N-]1)C2	REAL300025522328	0	43	-2.0	-86.44	379.42	-3.38	-89.82
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2CCC1N2C(=O)C1=COC(=O)[N-]1	REAL300025522697	1	43	-2.0	-87.74	376.21	-2.12	-89.86
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2CCC1N2C(=O)C1=CC(=O)N[N-]1	REAL300025522751	0	44	-2.0	-88.18	381.15	-1.94	-90.12
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2CCC1N2C(=O)C1=NC(=O)N[N-]1	REAL300025522764	0	43	-2.0	-87.85	375.93	-2.76	-90.61
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300025522913	0	43	-2.0	-91.84	376.07	-1.75	-93.59
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300025523059	0	43	-2.0	-97.41	384.09	-1.41	-98.82
CC(NC(=O)C1=COC(=O)[N-]1)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523313	1	43	-2.0	-85.76	388.75	-6.70	-92.46
CC(NC(=O)C1=CC(=O)N[N-]1)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523370	0	44	-2.0	-85.37	393.58	-5.72	-91.09
CC(NC(=O)C1=NC(=O)N[N-]1)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025523416	0	43	-2.0	-85.35	388.18	-7.02	-92.37
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025523721	1	43	-2.0	-85.59	385.53	-5.87	-91.46
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025523767	0	44	-2.0	-85.68	390.37	-5.63	-91.31
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)C2=NNC(=O)[N-]2)C1	REAL300025523776	0	43	-2.0	-89.22	385.05	-7.11	-96.33
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025523895	0	43	-2.0	-89.59	385.46	-5.43	-95.02
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025524003	0	43	-2.0	-89.42	388.33	-5.23	-94.65
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CN(C(=O)C1=COC(=O)[N-]1)C2	REAL300025524732	1	40	-2.0	-92.77	351.41	-0.76	-93.53
CN1N=C(C(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)[N-]C1=O	REAL300025524819	0	43	-2.0	-110.75	373.47	-0.65	-111.40
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300025524851	0	42	-2.0	-106.12	369.29	0.64	-105.48
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300025524885	0	41	-2.0	-99.82	356.07	-0.75	-100.57
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300025525054	0	40	-2.0	-95.52	350.92	-1.41	-96.93
CN1[N-]C(C(=O)N2CC3CC(C2)N(C(=O)CSC2=NNC(=O)[N-]2)C3)=CC1=O	REAL300025525141	0	44	-2.0	-102.89	379.03	0.87	-102.02
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC(C1)N(C(=O)C1=NC=CC=C1[O-])C2	REAL300025525390	1	43	-2.0	-118.42	367.76	2.74	-115.68
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC(C1)N(C(=O)C1=COC(=O)[N-]1)C2	REAL300025525779	1	40	-2.0	-103.74	351.29	-1.12	-104.86
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC(C1)N(C(=O)C1=C[N-]N=CC1=O)C2	REAL300025525845	0	42	-2.0	-99.66	369.69	0.81	-98.85
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC(C1)N(C(=O)C1=CC(=O)N[N-]1)C2	REAL300025525894	0	41	-2.0	-105.77	356.14	-0.85	-106.62
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC(C1)N(C(=O)C1=NC(=O)N[N-]1)C2	REAL300025525921	0	40	-2.0	-105.10	350.94	-1.70	-106.80
CN1N=C(C(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)[N-]C1=O	REAL300025526103	0	43	-2.0	-113.35	373.60	-0.68	-114.03
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC(C1)N(C(=O)C1=CC=NC=C1[O-])C2	REAL300025526212	0	43	-2.0	-109.24	368.35	1.35	-107.89
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300025526215	0	40	-2.0	-109.08	351.23	-0.65	-109.73
CN1[N-]C(C(=O)N2CC3CC2CN(C(=O)CSC2=NNC(=O)[N-]2)C3)=CC1=O	REAL300025526293	0	44	-2.0	-108.91	378.87	0.86	-108.05
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC(C1)N(C(=O)C1=CC([O-])=CS1)C2	REAL300025526365	0	41	-2.0	-115.63	362.72	1.03	-114.60
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300025526487	0	40	-2.0	-103.05	351.23	-0.76	-103.81
NC(=O)C1(CNC(=O)C2=COC(=O)[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527333	1	40	-2.0	-94.52	379.84	-8.31	-102.83
NC(=O)C1(CNC(=O)C2=CC(=O)N[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527399	0	41	-2.0	-93.03	384.67	-7.31	-100.34
NC(=O)C1(CNC(=O)C2=NC(=O)N[N-]2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025527458	0	40	-2.0	-96.62	380.00	-8.70	-105.32
NC(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025527784	1	40	-2.0	-90.28	378.44	-7.94	-98.22
NC(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025527831	0	41	-2.0	-94.51	382.19	-7.43	-101.94
NC(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025527840	0	40	-2.0	-90.89	377.85	-8.39	-99.28
NC(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025527965	0	40	-2.0	-97.46	377.21	-7.11	-104.57
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300025528082	0	40	-2.0	-97.57	379.41	-6.83	-104.40
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC(NC(=O)C3=COC(=O)[N-]3)C2C1	REAL300025528411	1	43	-2.0	-88.07	379.25	-3.26	-91.33
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC(NC(=O)C3=CC(=O)N[N-]3)C2C1	REAL300025528493	0	44	-2.0	-89.72	381.19	-2.03	-91.75
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC(NC(=O)C3=NC(=O)N[N-]3)C2C1	REAL300025528564	0	43	-2.0	-92.24	375.80	-3.31	-95.55
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2CN(C(=O)C3=COC(=O)[N-]3)CC21	REAL300025528933	1	43	-2.0	-86.83	376.21	-2.14	-88.97
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2CN(C(=O)C3=CC(=O)N[N-]3)CC21	REAL300025528987	0	44	-2.0	-88.91	380.82	-2.07	-90.98
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2CN(C(=O)C3=NC(=O)N[N-]3)CC21	REAL300025529000	0	43	-2.0	-87.64	375.59	-2.80	-90.44
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300025529149	0	43	-2.0	-91.09	372.89	-1.72	-92.81
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300025529295	0	43	-2.0	-91.97	378.82	-1.79	-93.76
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300025530812	1	42	-2.0	-85.61	367.43	-0.81	-86.42
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300025530896	0	45	-2.0	-106.00	390.68	-0.76	-106.76
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=C[N-]N=CC1=O	REAL300025530924	0	44	-2.0	-99.41	388.02	0.52	-98.89
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300025530958	0	43	-2.0	-98.26	373.84	-0.96	-99.22
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300025531119	0	42	-2.0	-84.64	367.10	-1.50	-86.14
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300025531202	0	46	-2.0	-101.26	396.45	0.76	-100.50
CN(C[C@H]1CCCN1C(=O)C1=NC=CC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025531450	1	45	-2.0	-97.97	383.50	2.74	-95.23
CN(C[C@H]1CCCN1C(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531830	1	42	-2.0	-94.83	368.44	-1.20	-96.03
CN(C[C@H]1CCCN1C(=O)C1=C[N-]N=CC1=O)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531893	0	44	-2.0	-102.11	367.54	1.26	-100.85
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531941	0	43	-2.0	-98.51	375.00	-0.96	-99.47
CN(C[C@H]1CCCN1C(=O)C1=NC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025531967	0	42	-2.0	-84.61	366.30	-1.63	-86.24
CN(C[C@H]1CCCN1C(=O)C1=NN(C)C(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532138	0	45	-2.0	-106.97	390.80	-0.86	-107.83
CN(C[C@H]1CCCN1C(=O)C1=CC=NC=C1[O-])C(=O)CSC1=NNC(=O)[N-]1	REAL300025532237	0	45	-2.0	-97.56	368.08	1.22	-96.34
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532239	0	42	-2.0	-88.16	366.48	-0.76	-88.92
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)N(C)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532310	0	46	-2.0	-102.27	396.02	0.68	-101.59
CN(C[C@H]1CCCN1C(=O)C1=CC([O-])=CS1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025532376	0	43	-2.0	-126.14	368.44	1.40	-124.74
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300025532492	0	42	-2.0	-87.90	367.37	-0.71	-88.61
O=C(CSC1=NNC(=O)[N-]1)N1CC(OCCNC(=O)C2=COC(=O)[N-]2)C1	REAL300025533146	1	40	-2.0	-89.50	379.16	-5.61	-95.11
CN1N=C(C(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025533226	0	43	-2.0	-95.12	401.32	-4.42	-99.54
O=C(CSC1=NNC(=O)[N-]1)N1CC(OCCNC(=O)C2=C[N-]N=CC2=O)C1	REAL300025533251	0	42	-2.0	-81.67	388.22	-2.47	-84.14
O=C(CSC1=NNC(=O)[N-]1)N1CC(OCCNC(=O)C2=CC(=O)N[N-]2)C1	REAL300025533283	0	41	-2.0	-88.89	383.99	-4.62	-93.51
O=C(CSC1=NNC(=O)[N-]1)N1CC(OCCNC(=O)C2=NC(=O)N[N-]2)C1	REAL300025533429	0	40	-2.0	-89.30	378.59	-5.92	-95.22
CN1[N-]C(C(=O)NCCOC2CN(C(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025533504	0	44	-2.0	-91.33	406.81	-2.91	-94.24
O=C(CSC1=NNC(=O)[N-]1)NCCOC1CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300025533741	1	43	-2.0	-102.98	393.47	-1.10	-104.08
O=C(CSC1=NNC(=O)[N-]1)NCCOC1CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025534168	1	40	-2.0	-90.78	376.99	-5.25	-96.03
O=C(CSC1=NNC(=O)[N-]1)NCCOC1CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300025534229	0	42	-2.0	-92.22	385.10	-1.91	-94.13
O=C(CSC1=NNC(=O)[N-]1)NCCOC1CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025534282	0	41	-2.0	-89.35	381.82	-4.69	-94.04
O=C(CSC1=NNC(=O)[N-]1)NCCOC1CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025534310	0	40	-2.0	-89.07	376.55	-5.72	-94.79
CN1N=C(C(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)[N-]C1=O	REAL300025534493	0	43	-2.0	-96.11	399.28	-4.50	-100.61
O=C(CSC1=NNC(=O)[N-]1)NCCOC1CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300025534597	0	43	-2.0	-101.49	390.02	-1.78	-103.27
O=C(CSC1=NNC(=O)[N-]1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025534599	0	40	-2.0	-94.36	376.85	-4.35	-98.71
CN1[N-]C(C(=O)N2CC(OCCNC(=O)CSC3=NNC(=O)[N-]3)C2)=CC1=O	REAL300025534673	0	44	-2.0	-92.51	404.55	-2.98	-95.49
O=C(CSC1=NNC(=O)[N-]1)NCCOC1CN(C(=O)C2=CC([O-])=CS2)C1	REAL300025534748	0	41	-2.0	-99.86	388.89	-2.48	-102.34
O=C(CSC1=NNC(=O)[N-]1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300025534853	0	40	-2.0	-93.34	378.74	-4.13	-97.47
O=C(CSC1=NNC(=O)[N-]1)N1CCC(OCCNC(=O)C2=COC(=O)[N-]2)C1	REAL300025535147	1	43	-2.0	-86.98	395.34	-4.85	-91.83
O=C(CSC1=NNC(=O)[N-]1)N1CCC(OCCNC(=O)C2=CC(=O)N[N-]2)C1	REAL300025535213	0	44	-2.0	-89.98	400.14	-3.85	-93.83
O=C(CSC1=NNC(=O)[N-]1)N1CCC(OCCNC(=O)C2=NC(=O)N[N-]2)C1	REAL300025535270	0	43	-2.0	-91.89	394.73	-5.14	-97.03
O=C(CSC1=NNC(=O)[N-]1)NCCOC1CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300025535580	1	43	-2.0	-88.47	392.04	-4.00	-92.47
O=C(CSC1=NNC(=O)[N-]1)NCCOC1CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300025535626	0	44	-2.0	-90.55	395.99	-3.69	-94.24
O=C(CSC1=NNC(=O)[N-]1)NCCOC1CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300025535635	0	43	-2.0	-87.97	391.65	-4.59	-92.56
O=C(CSC1=NNC(=O)[N-]1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300025535754	0	43	-2.0	-92.76	391.95	-3.55	-96.31
O=C(CSC1=NNC(=O)[N-]1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300025535868	0	43	-2.0	-94.58	394.88	-3.36	-97.94
CC1(C)C(CNC(=O)C2=COC(=O)[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025536612	1	45	-2.0	-84.78	390.20	-3.17	-87.95
CC1(C)C(CNC(=O)C2=CC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025536690	0	46	-2.0	-85.57	395.10	-2.19	-87.76
CC1(C)C(CNC(=O)C2=NC(=O)N[N-]2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025536758	0	45	-2.0	-84.94	389.62	-3.47	-88.41
CC1(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300025537078	1	45	-2.0	-88.16	386.84	-2.08	-90.24
CC1(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300025537128	0	46	-2.0	-89.07	391.71	-1.96	-91.03
CC1(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=NNC(=O)[N-]1	REAL300025537136	0	45	-2.0	-92.80	386.40	-3.45	-96.25
CC1(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300025537253	0	45	-2.0	-92.75	386.66	-1.81	-94.56
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025537376	0	45	-2.0	-90.07	389.63	-1.67	-91.74
O=C(CSC1=NNC(=O)[N-]1)N1CCC(=CCNC(=O)C2=COC(=O)[N-]2)CC1	REAL300025537735	1	43	-2.0	-86.55	383.10	-2.91	-89.46
O=C(CSC1=NNC(=O)[N-]1)N1CCC(=CCNC(=O)C2=CC(=O)N[N-]2)CC1	REAL300025537817	0	44	-2.0	-86.94	387.92	-1.92	-88.86
O=C(CSC1=NNC(=O)[N-]1)N1CCC(=CCNC(=O)C2=NC(=O)N[N-]2)CC1	REAL300025537888	0	43	-2.0	-86.52	382.52	-3.21	-89.73
O=C(CSC1=NNC(=O)[N-]1)NCC=C1CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300025538257	1	43	-2.0	-88.63	380.04	-1.65	-90.28
O=C(CSC1=NNC(=O)[N-]1)NCC=C1CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300025538311	0	44	-2.0	-88.17	384.90	-1.72	-89.89
O=C(CSC1=NNC(=O)[N-]1)NCC=C1CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300025538324	0	43	-2.0	-84.64	379.31	-2.33	-86.97
O=C(CSC1=NNC(=O)[N-]1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300025538473	0	43	-2.0	-93.25	379.81	-1.71	-94.96
O=C(CSC1=NNC(=O)[N-]1)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300025538619	0	43	-2.0	-90.92	382.67	-1.44	-92.36
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C(=O)C1=COC(=O)[N-]1	REAL300025538933	1	43	-2.0	-88.71	379.78	-2.30	-91.01
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C(=O)C1=CC(=O)N[N-]1	REAL300025538999	0	44	-2.0	-91.43	384.09	-2.27	-93.70
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C(=O)C1=NNC(=O)[N-]1	REAL300025539056	0	43	-2.0	-92.34	377.79	-3.05	-95.39
CN(CC1CN(C(=O)C2=COC(=O)[N-]2)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025539366	1	43	-2.0	-88.60	378.53	-1.85	-90.45
CN(CC1CN(C(=O)C2=CC(=O)N[N-]2)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025539412	0	44	-2.0	-86.07	383.39	-1.97	-88.04
CN(CC1CN(C(=O)C2=NC(=O)N[N-]2)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025539421	0	43	-2.0	-87.79	378.20	-2.54	-90.33
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025539540	0	43	-2.0	-94.19	378.08	-2.29	-96.48
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300025539654	0	43	-2.0	-94.99	379.09	-2.18	-97.17
CC1CC(CNC(=O)C2=COC(=O)[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540750	1	42	-2.0	-92.67	378.20	-3.61	-96.28
CC1CC(CNC(=O)C2=NN(C)C(=O)[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540834	0	45	-2.0	-95.87	400.05	-2.41	-98.28
CC1CC(CNC(=O)C2=C[N-]N=CC2=O)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540862	0	44	-2.0	-83.46	387.25	-0.46	-83.92
CC1CC(CNC(=O)C2=CC(=O)N[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025540896	0	43	-2.0	-90.14	383.03	-2.61	-92.75
CC1CC(CNC(=O)C2=NC(=O)N[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025541057	0	42	-2.0	-92.74	377.09	-3.86	-96.60
CC1CC(CNC(=O)C2=CC(=O)N(C)[N-]2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025541140	0	46	-2.0	-92.27	405.54	-0.90	-93.17
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NC=CC=C1[O-]	REAL300025541388	1	45	-2.0	-101.36	389.68	1.09	-100.27
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=COC(=O)[N-]1	REAL300025541768	1	42	-2.0	-92.97	374.47	-2.50	-95.47
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=C[N-]N=CC1=O	REAL300025541831	0	44	-2.0	-89.98	393.46	-0.81	-90.79
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)N[N-]1	REAL300025541879	0	43	-2.0	-91.18	379.34	-2.38	-93.56
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NC(=O)N[N-]1	REAL300025541905	0	42	-2.0	-92.68	374.39	-3.10	-95.78
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300025542076	0	45	-2.0	-96.84	396.77	-2.20	-99.04
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC=NC=C1[O-]	REAL300025542175	0	45	-2.0	-101.39	387.32	0.24	-101.15
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300025542177	0	42	-2.0	-96.48	374.50	-2.30	-98.78
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300025542248	0	46	-2.0	-94.30	400.82	-0.80	-95.10
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC([O-])=CS1	REAL300025542314	0	43	-2.0	-102.57	386.81	-0.64	-103.21
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025542430	0	42	-2.0	-95.72	377.77	-2.11	-97.83
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2C(NC(=O)C3=COC(=O)[N-]3)C21	REAL300025543050	1	38	-2.0	-91.01	349.80	-4.90	-95.91
CN1N=C(C(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)[N-]C1=O	REAL300025543123	0	41	-2.0	-93.75	371.95	-3.71	-97.46
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2C(NC(=O)C3=C[N-]N=CC3=O)C21	REAL300025543148	0	40	-2.0	-87.59	359.32	-1.66	-89.25
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2C(NC(=O)C3=CC(=O)N[N-]3)C21	REAL300025543179	0	39	-2.0	-88.26	354.62	-3.91	-92.17
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2C(NC(=O)C3=NC(=O)N[N-]3)C21	REAL300025543316	0	38	-2.0	-94.96	349.70	-5.11	-100.07
CN1[N-]C(C(=O)NC2C3OCCN(C(=O)CSC4=NNC(=O)[N-]4)C23)=CC1=O	REAL300025543383	0	42	-2.0	-91.70	382.82	-3.14	-94.84
O=C(CSC1=NNC(=O)[N-]1)NC1C2OCCN(C(=O)C3=NC=CC=C3[O-])C12	REAL300025543631	1	41	-2.0	-111.03	364.03	0.12	-110.91
O=C(CSC1=NNC(=O)[N-]1)NC1C2OCCN(C(=O)C3=COC(=O)[N-]3)C12	REAL300025544011	1	38	-2.0	-96.86	347.17	-3.58	-100.44
O=C(CSC1=NNC(=O)[N-]1)NC1C2OCCN(C(=O)C3=C[N-]N=CC3=O)C12	REAL300025544074	0	40	-2.0	-88.65	351.02	-1.57	-90.22
O=C(CSC1=NNC(=O)[N-]1)NC1C2OCCN(C(=O)C3=CC(=O)N[N-]3)C12	REAL300025544122	0	39	-2.0	-98.69	352.08	-3.63	-102.32
O=C(CSC1=NNC(=O)[N-]1)NC1C2OCCN(C(=O)C3=NC(=O)N[N-]3)C12	REAL300025544148	0	38	-2.0	-88.82	351.61	-5.30	-94.12
CN1N=C(C(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)[N-]C1=O	REAL300025544319	0	41	-2.0	-95.34	374.36	-4.47	-99.81
O=C(CSC1=NNC(=O)[N-]1)NC1C2OCCN(C(=O)C3=CC=NC=C3[O-])C12	REAL300025544418	0	41	-2.0	-108.00	361.22	-1.17	-109.17
O=C(CSC1=NNC(=O)[N-]1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300025544420	0	38	-2.0	-102.74	347.03	-3.53	-106.27
CN1[N-]C(C(=O)N2CCOC3C(NC(=O)CSC4=NNC(=O)[N-]4)C32)=CC1=O	REAL300025544491	0	42	-2.0	-101.72	374.88	-1.92	-103.64
O=C(CSC1=NNC(=O)[N-]1)NC1C2OCCN(C(=O)C3=CC([O-])=CS3)C12	REAL300025544557	0	39	-2.0	-99.33	364.35	-2.95	-102.28
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300025544659	0	38	-2.0	-92.66	349.36	-3.42	-96.08
C[C@@]1(CNC(=O)C2=COC(=O)[N-]2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545463	1	42	-2.0	-94.56	370.87	-2.95	-97.51
CN1N=C(C(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025545547	0	45	-2.0	-100.38	393.06	-1.71	-102.09
C[C@@]1(CNC(=O)C2=C[N-]N=CC2=O)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545575	0	44	-2.0	-94.25	367.65	1.38	-92.87
C[C@@]1(CNC(=O)C2=CC(=O)N[N-]2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545609	0	43	-2.0	-95.54	375.78	-2.01	-97.55
C[C@@]1(CNC(=O)C2=NC(=O)N[N-]2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025545770	0	42	-2.0	-94.21	370.49	-3.20	-97.41
CN1[N-]C(C(=O)NC[C@]2(C)CCCN2C(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025545853	0	46	-2.0	-98.30	398.51	-0.30	-98.60
C[C@@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=NC=CC=C1[O-]	REAL300025546101	1	45	-2.0	-109.15	384.22	1.78	-107.37
C[C@@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=COC(=O)[N-]1	REAL300025546481	1	42	-2.0	-90.97	367.11	-1.95	-92.92
C[C@@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300025546544	0	44	-2.0	-89.63	376.27	0.08	-89.55
C[C@@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300025546592	0	43	-2.0	-93.49	372.00	-1.83	-95.32
C[C@@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=NC(=O)N[N-]1	REAL300025546618	0	42	-2.0	-92.09	366.78	-2.59	-94.68
CN1N=C(C(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)[N-]C1=O	REAL300025546789	0	45	-2.0	-100.71	389.45	-1.68	-102.39
C[C@@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC=NC=C1[O-]	REAL300025546888	0	45	-2.0	-107.25	377.62	1.05	-106.20
C[C@@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300025546890	0	42	-2.0	-97.21	366.97	-1.72	-98.93
CN1[N-]C(C(=O)N2CCC[C@@]2(C)CNC(=O)CSC2=NNC(=O)[N-]2)=CC1=O	REAL300025546961	0	46	-2.0	-96.58	395.68	-0.06	-96.64
C[C@@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC([O-])=CS1	REAL300025547027	0	43	-2.0	-108.10	375.69	0.43	-107.67
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300025547143	0	42	-2.0	-97.49	370.43	-1.47	-98.96
CN(CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=COC(=O)[N-]1	REAL300025547439	1	43	-2.0	-87.99	368.19	-2.67	-90.66
CN(CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)N[N-]1	REAL300025547505	0	44	-2.0	-90.36	372.67	-2.70	-93.06
CN(CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=NC(=O)N[N-]1	REAL300025547562	0	43	-2.0	-88.41	368.31	-3.35	-91.76
CN(CC1COCCN1C(=O)C1=COC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025547841	1	43	-2.0	-84.84	368.98	-2.49	-87.33
CN(CC1COCCN1C(=O)C1=CC(=O)N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025547885	0	44	-2.0	-86.79	373.82	-2.59	-89.38
CN(CC1COCCN1C(=O)C1=NNC(=O)[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025547892	0	43	-2.0	-92.57	369.28	-4.09	-96.66
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300025547989	0	43	-2.0	-91.99	369.16	-2.48	-94.47
CN(CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300025548090	0	43	-2.0	-92.67	369.95	-2.47	-95.14
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=COC(=O)[N-]2)C12CC2	REAL300025548419	1	43	-2.0	-85.03	382.59	-3.13	-88.16
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=CC(=O)N[N-]2)C12CC2	REAL300025548501	0	44	-2.0	-85.94	387.42	-2.14	-88.08
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=NC(=O)N[N-]2)C12CC2	REAL300025548572	0	43	-2.0	-85.18	381.95	-3.44	-88.62
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=COC(=O)[N-]2)C12CC2	REAL300025548905	1	43	-2.0	-88.52	379.29	-2.07	-90.59
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC(=O)N[N-]2)C12CC2	REAL300025548957	0	44	-2.0	-89.66	384.30	-2.00	-91.66
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=NC(=O)N[N-]2)C12CC2	REAL300025548967	0	43	-2.0	-88.80	378.93	-2.72	-91.52
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300025549087	0	43	-2.0	-93.16	379.15	-1.81	-94.97
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300025549217	0	43	-2.0	-90.37	382.16	-1.64	-92.01
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2CN(C(=O)C3=COC(=O)[N-]3)CC[C@@H]21	REAL300025549678	1	43	-2.0	-97.03	365.58	-1.08	-98.11
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)N[N-]3)CC[C@@H]21	REAL300025549760	0	44	-2.0	-90.74	368.71	-0.88	-91.62
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2CN(C(=O)C3=NC(=O)N[N-]3)CC[C@@H]21	REAL300025549831	0	43	-2.0	-95.76	365.24	-1.82	-97.58
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2[C@H](CCN2C(=O)C2=COC(=O)[N-]2)C1	REAL300025550164	1	43	-2.0	-88.97	363.09	-1.45	-90.42
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)N[N-]2)C1	REAL300025550216	0	44	-2.0	-90.13	367.94	-1.17	-91.30
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2[C@H](CCN2C(=O)C2=NC(=O)N[N-]2)C1	REAL300025550226	0	43	-2.0	-87.42	363.60	-1.89	-89.31
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300025550346	0	43	-2.0	-93.93	363.03	-0.95	-94.88
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300025550476	0	43	-2.0	-95.08	363.64	-0.98	-96.06