CC1(C)CN(C(=O)C2=CC(=O)N[N-]2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028583898	0	42	-2.0	-84.71	343.84	-0.63	-85.34
CC1(C)CN(C(=O)C(=O)[PH](C)(C)[O-])CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028583904	0	47	-2.0	-83.22	378.50	0.76	-82.46
CN1[N-]C(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)=CC1=O	REAL300028583909	0	48	-2.0	-94.74	390.56	1.51	-93.23
CC1(C)CN(C(=O)C2=CC(F)=CC(F)=C2[O-])CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028583977	0	45	-2.0	-93.77	374.09	3.66	-90.11
CC1(C)CN(C(=O)C2=CC(=O)N([O-])C=C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584002	0	45	-2.0	-100.82	374.03	3.03	-97.79
CC1(C)CN(C(=O)C2=NC(=O)N[N-]2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584028	0	41	-2.0	-85.81	338.58	-1.25	-87.06
CC1(C)CN(C(=O)C2=C([O-])C=CC=C2Cl)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584031	1	45	-2.0	-91.84	382.37	2.94	-88.90
CC1(C)CN(C(=O)C2=CC=CN([O-])C2=O)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584036	0	45	-2.0	-99.02	368.98	2.88	-96.14
CC1(C)CN(C(=O)C2=C(F)C=CC([O-])=C2F)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584065	1	45	-2.0	-89.64	380.72	2.58	-87.06
CC1(C)CN(C(=O)C2=NC(N)=CC(=O)[N-]2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584155	0	45	-2.0	-92.80	368.70	-1.03	-93.83
CC1(C)CN(C(=O)C2=CC=C([O-])C(Cl)=C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584209	0	45	-2.0	-86.96	379.98	2.87	-84.09
CC1(C)CN(C(=O)C2=CC(F)=CC=C2[O-])CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584214	1	45	-2.0	-93.40	367.87	3.60	-89.80
CC1=CC=NC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)=C1[O-]	REAL300028584279	1	47	-2.0	-96.99	379.11	3.17	-93.82
CC1(C)CN(C(=O)C2=CN=CC([O-])=C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584400	1	44	-2.0	-90.63	358.03	0.41	-90.22
CC1(C)CN(C(=O)C2=CC=CC(=S)N2[O-])CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584410	0	45	-2.0	-104.21	378.04	3.81	-100.40
CC1(C)CN(C(=O)C2=CC=C([O-])C(Cl)=N2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584527	0	44	-2.0	-83.34	375.10	1.86	-81.48
CC1(C)CN(C(=O)C2=CC=C([O-])C=C2Cl)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584571	1	45	-2.0	-88.25	379.46	2.85	-85.40
CC1(C)CN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584573	0	48	-2.0	-92.30	397.66	1.42	-90.88
CC1(C)CN(C(=O)CC2=NC([O-])=CS2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584583	0	44	-2.0	-101.91	373.63	-0.95	-102.86
CC1(C)CN(C(=O)C2=C([O-])C=CC=C2F)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584598	0	45	-2.0	-92.76	374.38	2.60	-90.16
CC1(C)CN(C(=O)CN2[N-]C(=O)C=CC2=O)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584600	0	47	-2.0	-91.28	388.90	-0.34	-91.62
CC1(C)CN(C(=O)C2=CC=C(F)C=C2[O-])CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584601	0	45	-2.0	-95.86	370.54	2.75	-93.11
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(C)(C)C1	REAL300028584638	0	48	-2.0	-100.20	393.78	3.16	-97.04
CC1(C)CN(C(=O)CC2SC(=O)[N-]C2=O)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584709	0	45	-2.0	-84.12	381.39	-1.69	-85.81
CC1(C)CN(C(=O)C2=CC=C([O-])C(F)=C2F)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584734	0	45	-2.0	-90.57	373.86	2.42	-88.15
CC1(C)CN(C(=O)C2=CC=CC(Cl)=C2[O-])CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584741	0	45	-2.0	-96.61	377.64	4.05	-92.56
CC1=CC(=O)C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)=N[N-]1	REAL300028584770	0	46	-2.0	-88.94	374.01	2.88	-86.06
CC1(C)CN(C(=O)C2=CC=CC(=O)N2[O-])CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584796	0	45	-2.0	-100.78	366.93	3.17	-97.61
CC1(C)CN(C(=O)C2=CC=C(C#N)[N-]C2=O)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584826	0	45	-2.0	-80.88	377.76	0.64	-80.24
CN1N=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)[N-]C1=O	REAL300028584878	0	44	-2.0	-90.69	361.35	-0.44	-91.13
CC1(C)CN(C(=O)C2=C(F)C=CC(O)=C2O)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584932	0	46	-2.0	-93.47	385.09	0.68	-92.79
CC1(C)CN(C(=O)C2=C(F)C=CC(O)=C2[O-])CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584932	1	46	-2.0	-93.47	385.09	0.68	-92.79
CC1(C)CN(C(=O)C2=CC(C#N)=CC=C2[O-])CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028584941	0	46	-2.0	-90.32	384.99	3.08	-87.24
CC1(C)CN(C(=O)C2=CN([O-])C(=O)NC2=O)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585036	0	45	-2.0	-89.55	378.46	0.38	-89.17
CC1(C)CN(C(=O)C2=CC=C(F)C(O)=C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585092	0	45	-2.0	-96.28	370.21	2.37	-93.91
CC1(C)CN(C(=O)C2=CC=C(F)C([O-])=C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585092	1	45	-2.0	-96.28	370.21	2.37	-93.91
CC1(C)CN(C(=O)C2=CC=C(Cl)C=C2O)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585111	0	45	-2.0	-95.62	380.85	3.19	-92.43
CC1(C)CN(C(=O)C2=CC=C(Cl)C=C2[O-])CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585111	1	45	-2.0	-95.62	380.85	3.19	-92.43
CC1(C)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585183	0	43	-2.0	-90.96	361.74	-4.33	-95.29
CC1(C)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585183	1	43	-2.0	-83.75	361.69	-3.54	-87.29
CC1(C)CN(C(=O)C2=CN=C(N)[N-]C2=O)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585243	1	45	-2.0	-86.10	366.37	-0.51	-86.61
CC1=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)[N-]C(=O)C(C#N)=C1	REAL300028585265	0	48	-2.0	-90.74	402.76	1.20	-89.54
CC1(C)CN(C(=O)C2=CC=C(F)C([O-])=C2F)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585279	0	45	-2.0	-98.88	374.02	2.40	-96.48
COC1=NC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)=CC(=O)[N-]1	REAL300028585326	0	47	-2.0	-89.60	386.72	-2.22	-91.82
CC1(C)CN(C(=O)C2=NC=CC(Cl)=C2[O-])CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585336	0	44	-2.0	-93.34	375.03	2.99	-90.35
CC1(C)CN(C(=O)C2=CC=C(Cl)C([O-])=C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585374	0	45	-2.0	-87.26	380.02	2.87	-84.39
CC1(C)CN(C(=O)C2=CC=NC=C2[O-])CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585383	0	44	-2.0	-95.88	359.06	0.77	-95.11
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585389	0	41	-2.0	-89.86	338.82	-0.63	-90.49
CC1=C([O-])N=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)S1	REAL300028585414	1	44	-2.0	-93.71	370.82	0.17	-93.54
CC1(C)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585510	1	47	-2.0	-86.76	390.58	2.34	-84.42
CC1(C)CN(C(=O)C2=CN=C(C=N[O-])S2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585533	0	44	-2.0	-97.80	379.41	0.37	-97.43
CC1(C)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585557	1	44	-2.0	-82.35	376.22	2.77	-79.58
CC1(C)CN(C(=O)C2=CC(=O)NC([O-])=C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585581	0	45	-2.0	-85.13	375.07	-1.85	-86.98
CCN1[N-]C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)=CC1=O	REAL300028585642	0	48	-2.0	-87.63	388.43	2.02	-85.61
CN1[N-]C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)=CC1=O	REAL300028585663	0	45	-2.0	-86.99	366.58	1.08	-85.91
CC1(C)CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585673	0	45	-2.0	-88.71	384.12	-0.96	-89.67
CC1(C)CN(C(=O)CC2=CC(=O)N[N-]2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585810	1	45	-2.0	-92.44	367.81	-0.22	-92.66
CC1(C)CN(C(=O)C2=CC=C([O-])C(F)=C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585815	1	45	-2.0	-90.88	370.19	2.40	-88.48
CC1(C)CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585863	0	45	-2.0	-90.60	377.02	2.51	-88.09
CC1(C)CN(C(=O)C2=CC=NC(Cl)=C2[O-])CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585868	0	44	-2.0	-94.15	375.25	1.25	-92.90
CC1=C(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)C(=O)N(C)[N-]1	REAL300028585883	0	51	-2.0	-93.39	410.68	2.19	-91.20
CC1=CN=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(C)(C)C2)C([O-])=C1	REAL300028585920	1	47	-2.0	-97.75	377.69	3.68	-94.07
CC1(C)CN(C(=O)C2=CC([O-])=CS2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585943	0	42	-2.0	-94.74	354.37	1.28	-93.46
CC1(C)CN(C(=O)C2=CN([O-])C(=O)C=C2)CCC1NC(=O)C1=CC(=O)[N-]O1	REAL300028585959	0	45	-2.0	-96.25	374.09	3.02	-93.23
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CCC1NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300028585989	0	45	-2.0	-87.20	369.39	0.57	-86.63
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=NNC(=O)[N-]C3=O)CC2)C1	REAL300028586858	0	43	-2.0	-92.25	367.08	-4.87	-97.12
O=C(CN1C(=O)[N-]NC1=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028586914	0	45	-2.0	-98.04	377.05	-3.49	-101.53
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CN([O-])C(=O)C=C3)CC2)C1	REAL300028587321	0	45	-2.0	-103.76	379.63	0.93	-102.83
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC(=O)NC([O-])=C3)CC2)C1	REAL300028587403	0	45	-2.0	-90.32	379.03	-4.06	-94.38
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=COC(=O)[N-]3)CC2)C1	REAL300028587414	1	41	-2.0	-89.69	343.12	-2.70	-92.39
CCN1[N-]C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC1=O	REAL300028587536	0	48	-2.0	-93.08	392.52	-0.18	-93.26
O=C(CC1=CC(=O)N[N-]1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587543	1	45	-2.0	-99.51	372.07	-2.40	-101.91
CN1N=C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)[N-]C1=O	REAL300028587566	0	44	-2.0	-93.02	371.58	-2.36	-95.38
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)C1	REAL300028587628	0	43	-2.0	-82.96	353.77	-1.39	-84.35
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC(=O)N[N-]3)CC2)C1	REAL300028587698	0	42	-2.0	-87.19	354.44	-2.51	-89.70
C[PH](C)([O-])C(=O)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587703	0	47	-2.0	-86.60	382.12	-1.85	-88.45
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC=CN([O-])C3=O)CC2)C1	REAL300028587727	0	45	-2.0	-101.34	370.43	0.55	-100.79
CC1SC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=NC1=O	REAL300028587748	0	44	-2.0	-90.94	380.87	-1.73	-92.67
CC1=C([O-])N=C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)S1	REAL300028587748	1	44	-2.0	-90.94	380.87	-1.73	-92.67
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC(=O)N([O-])C=C3)CC2)C1	REAL300028587765	0	45	-2.0	-103.07	382.15	1.02	-102.05
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC=CC(=O)N3[O-])CC2)C1	REAL300028587790	0	45	-2.0	-100.44	377.27	1.17	-99.27
O=C(CC1=NC([O-])=CS1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028587905	0	44	-2.0	-107.73	384.04	-2.85	-110.58
CC1=CC(=O)C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=N[N-]1	REAL300028588068	0	46	-2.0	-94.59	378.13	0.73	-93.86
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=NC(=O)N[N-]3)CC2)C1	REAL300028588078	0	41	-2.0	-85.08	348.89	-3.14	-88.22
CN1[N-]C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC1=O	REAL300028588265	0	45	-2.0	-89.16	377.00	-0.84	-90.00
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=NC(=O)[N-]C(=O)N3)CC2)C1	REAL300028588365	0	43	-2.0	-85.34	362.14	-4.46	-89.80
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=NC(=O)NC(=O)[N-]3)CC2)C1	REAL300028588365	1	43	-2.0	-85.34	362.14	-4.46	-89.80
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=NC=CC=C3O)C2)CC1	REAL300028588717	0	44	-2.0	-101.46	366.09	0.62	-100.84
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=NC=CC=C3[O-])C2)CC1	REAL300028588717	1	44	-2.0	-101.46	366.09	0.62	-100.84
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)CC1	REAL300028588817	0	43	-2.0	-92.61	365.69	-5.03	-97.64
O=C(CN1C(=O)[N-]NC1=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028588916	0	45	-2.0	-93.32	376.18	-3.50	-96.82
N#CC1=CC([O-])=CC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300028589789	1	46	-2.0	-89.98	383.75	0.16	-89.82
O=C(C1=COC(=O)[N-]1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589858	1	41	-2.0	-86.62	349.17	-3.46	-90.08
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CC=C([O-])C=C3F)C2)CC1	REAL300028589930	1	45	-2.0	-92.17	370.00	-0.01	-92.18
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CC([O-])=CC(=O)O3)C2)CC1	REAL300028589934	0	44	-2.0	-92.18	368.23	-0.73	-92.91
N#CC1=CC=C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C=C1[O-]	REAL300028589937	1	46	-2.0	-95.91	390.05	0.63	-95.28
CC1=CC=C([O-])C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=N1	REAL300028589994	1	47	-2.0	-103.05	381.49	0.90	-102.15
O=C(CCC1=NC(=O)[N-]N1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028589995	1	47	-2.0	-100.96	386.29	-3.63	-104.59
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=C[N-]N=CC3=O)C2)CC1	REAL300028590005	0	43	-2.0	-90.31	356.92	-0.14	-90.45
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CC=CC(F)=C3[O-])C2)CC1	REAL300028590012	0	45	-2.0	-106.78	375.22	1.89	-104.89
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CC=CC([O-])=C3F)C2)CC1	REAL300028590081	1	45	-2.0	-103.26	375.38	0.30	-102.96
O=C(C1=CC(=O)N[N-]1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590153	0	42	-2.0	-87.24	354.01	-2.89	-90.13
C[PH](C)([O-])C(=O)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590159	0	47	-2.0	-86.75	386.50	-1.71	-88.46
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CC(=O)N([O-])C=C3)C2)CC1	REAL300028590214	0	45	-2.0	-104.24	374.59	0.71	-103.53
O=C(C1=NC(=O)N[N-]1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590231	0	41	-2.0	-86.72	349.15	-3.99	-90.71
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CC=CN([O-])C3=O)C2)CC1	REAL300028590236	0	45	-2.0	-111.69	383.58	1.02	-110.67
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CC(F)=CC=C3O)C2)CC1	REAL300028590350	0	45	-2.0	-97.16	369.84	1.51	-95.65
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CC(F)=CC=C3[O-])C2)CC1	REAL300028590350	1	45	-2.0	-97.16	369.84	1.51	-95.65
CC1=CC=NC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1O	REAL300028590393	0	47	-2.0	-101.34	386.03	1.39	-99.95
CC1=CC=NC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1[O-]	REAL300028590393	1	47	-2.0	-101.34	386.03	1.39	-99.95
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CN=CC(O)=C3)C2)CC1	REAL300028590453	0	44	-2.0	-86.95	364.52	-1.62	-88.57
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CN=CC([O-])=C3)C2)CC1	REAL300028590453	1	44	-2.0	-86.95	364.52	-1.62	-88.57
O=C(CC1=NC([O-])=CS1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028590549	0	44	-2.0	-105.46	377.02	-3.17	-108.63
CC1=CC(=O)C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=N[N-]1	REAL300028590661	0	46	-2.0	-91.80	382.88	0.83	-90.97
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CC=CC(=O)N3[O-])C2)CC1	REAL300028590677	0	45	-2.0	-121.28	372.74	1.75	-119.53
N#CC1=CC=C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C(=O)[N-]1	REAL300028590696	0	45	-2.0	-95.19	376.77	-0.56	-95.75
CN1N=C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)[N-]C1=O	REAL300028590725	0	44	-2.0	-93.94	371.81	-2.78	-96.72
N#CC1=CC=C([O-])C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300028590764	0	46	-2.0	-94.97	384.28	1.84	-93.13
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CC=C(F)C([O-])=C3)C2)CC1	REAL300028590858	1	45	-2.0	-100.10	376.13	0.26	-99.84
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)CC1	REAL300028590912	0	43	-2.0	-89.34	361.31	-5.12	-94.46
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)CC1	REAL300028590912	1	43	-2.0	-89.34	361.31	-5.12	-94.46
NC1=NC=C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C(=O)N1	REAL300028590948	0	45	-2.0	-95.96	375.49	-2.72	-98.68
NC1=NC=C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C(=O)[N-]1	REAL300028590948	1	45	-2.0	-95.96	375.49	-2.72	-98.68
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591041	0	41	-2.0	-90.78	349.04	-2.59	-93.37
CC1SC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=NC1=O	REAL300028591058	0	44	-2.0	-92.57	381.29	-2.61	-95.18
CC1=C([O-])N=C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)S1	REAL300028591058	1	44	-2.0	-92.57	381.29	-2.61	-95.18
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)CC1	REAL300028591166	0	45	-2.0	-86.11	374.81	-4.19	-90.30
CCN1[N-]C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC1=O	REAL300028591208	0	48	-2.0	-94.04	392.78	-0.64	-94.68
CN1[N-]C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC1=O	REAL300028591224	0	45	-2.0	-93.32	370.97	-1.58	-94.90
O=C(CC1=CC(=O)NN1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591310	0	45	-2.0	-94.98	371.18	-2.46	-97.44
O=C(CC1=CC(=O)N[N-]1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591310	1	45	-2.0	-94.98	371.18	-2.46	-97.44
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CC=C(O)C(F)=C3)C2)CC1	REAL300028591314	0	45	-2.0	-92.74	376.09	0.30	-92.44
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CC=C([O-])C(F)=C3)C2)CC1	REAL300028591314	1	45	-2.0	-92.74	376.09	0.30	-92.44
CC1=CN=C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C(O)=C1	REAL300028591381	0	47	-2.0	-102.89	387.52	1.25	-101.64
CC1=CN=C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)C([O-])=C1	REAL300028591381	1	47	-2.0	-102.89	387.52	1.25	-101.64
O=C(C1=CC([O-])=CS1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028591394	0	42	-2.0	-97.46	361.68	-0.84	-98.30
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CN([O-])C(=O)C=C3)C2)CC1	REAL300028591407	0	45	-2.0	-103.89	374.57	0.81	-103.08
O=C(NCC1(O)CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1)C1=CC(=O)[N-]O1	REAL300028592994	0	41	-2.0	-91.56	351.07	-6.78	-98.34
O=C(CN1C(=O)[N-]NC1=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028593080	0	43	-2.0	-93.20	367.06	-5.17	-98.37
O=C(NCC1(O)CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1)C1=CC(=O)[N-]O1	REAL300028593694	0	43	-2.0	-103.15	362.87	-0.96	-104.11
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300028593810	0	43	-2.0	-87.46	369.35	-5.70	-93.16
O=C(NCC1(O)CCN(C(=O)C2=COC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300028593821	1	39	-2.0	-84.84	333.22	-4.34	-89.18
CCN1[N-]C(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300028593993	0	46	-2.0	-89.70	382.49	-1.79	-91.49
O=C(CC1=CC(=O)N[N-]1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594001	1	43	-2.0	-95.14	362.08	-4.08	-99.22
O=C(NCC1(O)CCN(C(=O)C2=CC=CC(=S)N2[O-])CC1)C1=CC(=O)[N-]O1	REAL300028594019	0	43	-2.0	-106.18	371.87	-0.09	-106.27
O=C(CC1SC(=O)[N-]C1=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594028	0	43	-2.0	-85.61	375.44	-5.47	-91.08
CN1N=C(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300028594044	0	42	-2.0	-92.85	355.75	-4.24	-97.09
O=C(NCC1(O)CCN(C(=O)C2=C[N-]N=CC2=O)CC1)C1=CC(=O)[N-]O1	REAL300028594134	0	41	-2.0	-86.83	352.17	-2.88	-89.71
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300028594240	0	40	-2.0	-85.85	338.08	-4.44	-90.29
C[PH](C)([O-])C(=O)C(=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594245	0	45	-2.0	-86.66	377.44	-3.46	-90.12
O=C(CCC1=NC(=O)NN1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594273	0	45	-2.0	-98.51	377.34	-5.04	-103.55
O=C(CCC1=NC(=O)[N-]N1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594273	1	45	-2.0	-98.51	377.34	-5.04	-103.55
O=C(NCC1(O)CCN(C(=O)C2=CC=CN([O-])C2=O)CC1)C1=CC(=O)[N-]O1	REAL300028594277	0	43	-2.0	-103.81	362.86	-0.92	-104.73
CC1SC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)=NC1=O	REAL300028594305	0	42	-2.0	-90.89	364.87	-3.64	-94.53
CC1=C([O-])N=C(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300028594305	1	42	-2.0	-90.89	364.87	-3.64	-94.53
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)C=C(Cl)N2)CC1)C1=CC(=O)[N-]O1	REAL300028594319	0	42	-2.0	-84.34	370.31	-1.03	-85.37
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300028594319	1	42	-2.0	-84.34	370.31	-1.03	-85.37
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1)C1=CC(=O)[N-]O1	REAL300028594336	0	43	-2.0	-102.05	362.99	-1.03	-103.08
O=C(NCC1(O)CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1)C1=CC(=O)[N-]O1	REAL300028594371	0	43	-2.0	-102.76	360.78	-0.73	-103.49
NC1=NC([O-])=C(CC(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300028594498	0	44	-2.0	-106.34	382.74	-5.66	-112.00
O=C(CC1=NC([O-])=CS1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028594546	0	42	-2.0	-105.66	367.90	-4.80	-110.46
CCC1=NC=C(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N1	REAL300028594564	0	47	-2.0	-90.01	387.52	-2.65	-92.66
CCC1=NC=C(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300028594564	1	47	-2.0	-90.01	387.52	-2.65	-92.66
CC1=CC(=O)C(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300028594784	0	44	-2.0	-90.77	367.19	-0.73	-91.50
O=C(NCC1(O)CCN(C(=O)C2=NNC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300028594799	0	39	-2.0	-90.49	332.67	-5.92	-96.41
O=C(NCC1(O)CCN(C(=O)C2=CN=C(C=N[O-])S2)CC1)C1=CC(=O)[N-]O1	REAL300028594914	0	42	-2.0	-98.60	373.62	-3.44	-102.04
COC1=NC(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)=CC(=O)[N-]1	REAL300028594928	0	45	-2.0	-90.32	376.95	-5.86	-96.18
CN1[N-]C(C(=O)N2CCC(O)(CNC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300028595084	0	43	-2.0	-89.37	361.13	-2.68	-92.05
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595091	0	43	-2.0	-91.10	378.38	-4.83	-95.93
O=C(NCC1(O)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL300028595251	0	41	-2.0	-90.55	355.96	-8.11	-98.66
O=C(NCC1(O)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300028595251	1	41	-2.0	-84.03	352.29	-6.14	-90.17
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC(O)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595396	0	45	-2.0	-93.85	383.14	-4.12	-97.97
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC=CC=C1[O-]	REAL300028595649	1	42	-2.0	-99.35	350.34	-1.53	-100.88
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NNC(=O)[N-]C1=O	REAL300028595775	0	41	-2.0	-91.94	350.06	-6.87	-98.81
O=C(CN1C(=O)[N-]NC1=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028595940	0	43	-2.0	-94.92	363.96	-5.38	-100.30
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(Cl)=CC=C1[O-]	REAL300028597334	1	43	-2.0	-96.95	369.84	0.75	-96.20
N#CC1=CC([O-])=CC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300028597359	1	44	-2.0	-86.50	376.34	-0.93	-87.43
CCC1=NC=C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300028597444	1	47	-2.0	-82.62	383.32	-2.42	-85.04
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COC(=O)[N-]1	REAL300028597463	1	39	-2.0	-84.93	333.46	-5.92	-90.85
O=C(C[N-]C(=O)C(F)(F)F)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597530	0	42	-2.0	-87.43	368.41	-5.10	-92.53
NC1=NC([O-])=C(CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300028597531	0	44	-2.0	-104.15	379.61	-5.94	-110.09
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=C(F)C=C([O-])C=C1F	REAL300028597541	0	43	-2.0	-86.87	371.54	-1.50	-88.37
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=C([O-])C=C1F	REAL300028597556	1	43	-2.0	-91.36	359.79	-1.31	-92.67
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC([O-])=CC(=O)O1	REAL300028597562	0	42	-2.0	-86.67	358.60	-2.16	-88.83
N#CC1=CC=C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=C1[O-]	REAL300028597569	1	44	-2.0	-96.23	375.42	-1.02	-97.25
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(Cl)=NC=C1[O-]	REAL300028597572	0	42	-2.0	-93.22	365.26	-1.16	-94.38
O=C(CN1N=CC(=O)[N-]C1=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597590	0	44	-2.0	-96.84	374.30	-6.50	-103.34
O=C(CCC1=NNC(=O)[N-]1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597654	0	45	-2.0	-92.63	374.30	-4.77	-97.40
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=C[N-]N=CC1=O	REAL300028597670	0	41	-2.0	-77.22	342.51	-2.76	-79.98
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC(F)=C1[O-]	REAL300028597679	0	43	-2.0	-104.86	359.33	0.23	-104.63
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC([O-])=C1F	REAL300028597768	1	43	-2.0	-102.80	359.65	-1.39	-104.19
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N[N-]1	REAL300028597872	0	40	-2.0	-85.61	338.28	-4.93	-90.54
C[PH](C)([O-])C(=O)C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028597878	0	45	-2.0	-84.98	371.21	-3.60	-88.58
CN1[N-]C(CC(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300028597883	0	46	-2.0	-99.34	382.00	-2.46	-101.80
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(F)=CC(F)=C1[O-]	REAL300028597948	0	43	-2.0	-97.22	365.73	0.35	-96.87
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N([O-])C=C1	REAL300028597972	0	43	-2.0	-105.68	361.30	-0.92	-106.60
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)N[N-]1	REAL300028597997	0	39	-2.0	-87.79	333.10	-6.10	-93.89
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=C([O-])C=CC=C1Cl	REAL300028598000	1	43	-2.0	-94.00	374.50	-1.05	-95.05
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CN([O-])C1=O	REAL300028598004	0	43	-2.0	-94.48	358.43	-0.71	-95.19
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=C(F)C=CC([O-])=C1F	REAL300028598033	1	43	-2.0	-95.56	371.38	-1.52	-97.08
NC1=CC(=O)[N-]C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300028598118	0	43	-2.0	-95.89	362.45	-5.55	-101.44
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=C([O-])C(Cl)=C1	REAL300028598169	0	43	-2.0	-90.12	371.47	-0.73	-90.85
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(F)=CC=C1[O-]	REAL300028598174	1	43	-2.0	-96.34	359.52	0.29	-96.05
CC1=CC=NC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1[O-]	REAL300028598238	1	45	-2.0	-99.25	370.66	-0.84	-100.09
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=CC([O-])=C1	REAL300028598346	1	42	-2.0	-93.87	350.51	-3.09	-96.96
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC(=S)N1[O-]	REAL300028598356	0	43	-2.0	-124.25	369.51	1.19	-123.06
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=C([O-])C(Cl)=N1	REAL300028598466	0	42	-2.0	-85.57	368.65	-2.69	-88.26
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=C([O-])C=C1Cl	REAL300028598506	1	43	-2.0	-89.90	367.76	-0.87	-90.77
O=C(CC1=NC([O-])=CS1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598517	0	42	-2.0	-106.27	364.80	-5.06	-111.33
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=C([O-])C=CC=C1F	REAL300028598532	1	43	-2.0	-93.25	365.01	-1.43	-94.68
O=C(CN1[N-]C(=O)C=CC1=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598534	0	45	-2.0	-95.56	380.07	-4.40	-99.96
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=C(F)C=C1[O-]	REAL300028598535	0	43	-2.0	-100.19	359.50	0.30	-99.89
CC1=CC=C(F)C([O-])=C1C(=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598568	0	46	-2.0	-104.79	384.45	-0.95	-105.74
O=C(CC1SC(=O)[N-]C1=O)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028598634	0	43	-2.0	-87.23	372.07	-5.84	-93.07
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=C([O-])C(F)=C1F	REAL300028598659	0	43	-2.0	-94.37	365.88	-1.30	-95.67
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC(Cl)=C1[O-]	REAL300028598665	0	43	-2.0	-99.68	369.14	0.69	-98.99
CC1=CC(=O)C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300028598694	0	44	-2.0	-89.52	367.00	-1.12	-90.64
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC(=O)N1[O-]	REAL300028598719	0	43	-2.0	-120.22	358.40	0.16	-120.06
N#CC1=CC=C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300028598748	0	43	-2.0	-82.05	368.58	-2.86	-84.91
CN1N=C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300028598796	0	42	-2.0	-93.34	355.75	-4.61	-97.95
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=C(F)C=CC(O)=C1[O-]	REAL300028598849	1	44	-2.0	-99.27	375.75	-3.43	-102.70
N#CC1=CC=C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C([O-])=C1	REAL300028598850	0	44	-2.0	-98.19	373.89	0.62	-97.57
N#CC1=CC=C([O-])C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300028598858	0	44	-2.0	-94.02	373.94	0.65	-93.37
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN([O-])C(=O)NC1=O	REAL300028598946	0	43	-2.0	-87.95	364.06	-3.19	-91.14
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=C(F)C([O-])=C1	REAL300028598998	1	43	-2.0	-99.98	361.71	-1.25	-101.23
O=C([N-]CC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(F)(F)C(F)(F)F	REAL300028599008	0	38	-2.0	-80.82	342.05	-2.44	-83.26
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=C(Cl)C=C1[O-]	REAL300028599016	1	43	-2.0	-99.90	369.83	0.75	-99.15
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)[N-]C(=O)N1	REAL300028599085	0	41	-2.0	-85.10	352.05	-7.28	-92.38
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)NC(=O)[N-]1	REAL300028599085	1	41	-2.0	-85.10	352.05	-7.28	-92.38
NC1=NC=C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N1	REAL300028599142	0	43	-2.0	-83.29	356.63	-4.07	-87.36
NC1=NC=C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300028599142	1	43	-2.0	-83.29	356.63	-4.07	-87.36
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC=CC(Cl)=C1[O-]	REAL300028599229	0	42	-2.0	-95.37	366.53	-0.95	-96.32
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NC=C1O	REAL300028599276	0	42	-2.0	-99.07	348.39	-1.66	-100.73
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NC=C1[O-]	REAL300028599276	1	42	-2.0	-99.07	348.39	-1.66	-100.73
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)[N-]O1	REAL300028599282	0	39	-2.0	-90.04	333.03	-4.44	-94.48
CC1SC(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NC1=O	REAL300028599305	0	42	-2.0	-94.83	365.04	-4.69	-99.52
CC1=C([O-])N=C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300028599305	1	42	-2.0	-94.83	365.04	-4.69	-99.52
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC=C(O)C=C1	REAL300028599398	0	45	-2.0	-89.84	375.99	-1.47	-91.31
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC=C([O-])C=C1	REAL300028599398	1	45	-2.0	-89.84	375.99	-1.47	-91.31
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=C(C=N[O-])S1	REAL300028599418	0	42	-2.0	-100.77	373.66	-3.39	-104.16
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)C=C(Cl)N1	REAL300028599440	0	42	-2.0	-84.01	368.66	-1.52	-85.53
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)C=C(Cl)[N-]1	REAL300028599440	1	42	-2.0	-84.01	368.66	-1.52	-85.53
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)NC([O-])=C1	REAL300028599460	0	43	-2.0	-87.49	361.60	-5.66	-93.15
CCN1[N-]C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300028599521	0	46	-2.0	-89.03	382.83	-2.29	-91.32
CN1[N-]C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300028599540	0	43	-2.0	-88.31	361.10	-3.22	-91.53
O=C(CSC1=NNC(=O)[N-]1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599550	0	43	-2.0	-92.98	375.26	-5.15	-98.13
O=C(CC1=CC(=O)NN1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599680	0	43	-2.0	-96.75	358.95	-4.34	-101.09
O=C(CC1=CC(=O)N[N-]1)NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028599680	1	43	-2.0	-96.75	358.95	-4.34	-101.09
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=C(O)C(F)=C1	REAL300028599685	0	43	-2.0	-94.11	361.67	-1.21	-95.32
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=C([O-])C(F)=C1	REAL300028599685	1	43	-2.0	-94.11	361.67	-1.21	-95.32
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(F)=C([O-])C(F)=C1	REAL300028599732	0	43	-2.0	-93.36	367.88	-1.15	-94.51
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=NC(Cl)=C1[O-]	REAL300028599737	0	42	-2.0	-98.16	364.57	-1.13	-99.29
CC1=CN=C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(O)=C1	REAL300028599788	0	45	-2.0	-100.32	372.00	-0.73	-101.05
CC1=CN=C(C(=O)NCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C([O-])=C1	REAL300028599788	1	45	-2.0	-100.32	372.00	-0.73	-101.05
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC([O-])=CS1	REAL300028599810	0	40	-2.0	-96.04	347.51	-2.46	-98.50
O=C(NCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN([O-])C(=O)C=C1	REAL300028599826	0	43	-2.0	-105.04	360.92	-0.92	-105.96
O=C(NCC1(O)CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1)C1=CC(=O)[N-]O1	REAL300028599854	0	43	-2.0	-90.27	373.28	-3.37	-93.64
CC1CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028600388	1	47	-2.0	-88.21	382.79	0.99	-87.22
CC1CC(NC(=O)CCCN2C(=O)[N-]NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601100	0	48	-2.0	-93.06	396.47	-1.45	-94.51
CC1CC(NC(=O)CCC2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601339	0	46	-2.0	-91.45	384.49	-4.05	-95.50
CC(=O)[N-]C1=NC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)=CS1	REAL300028601340	1	44	-2.0	-83.51	378.73	-0.54	-84.05
CC1CC(NC(=O)CCN2C=C[N-]C(=O)C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601519	1	47	-2.0	-98.87	390.23	0.09	-98.78
COC1=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)NC(=O)[N-]C1=O	REAL300028601641	1	45	-2.0	-90.71	372.43	-2.85	-93.56
CC1CC(NC(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601768	0	40	-2.0	-91.32	340.15	-4.19	-95.51
CC1CC(NC(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028601896	0	42	-2.0	-94.77	352.57	-2.60	-97.37
CC1CC(NC(=O)C2=CN([O-])C(=O)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028602851	0	42	-2.0	-103.56	349.77	2.02	-101.54
CC1CC(NC(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603035	0	42	-2.0	-86.07	349.99	-3.03	-89.10
CC1CC(NC(=O)C2=COC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603048	1	38	-2.0	-87.08	322.06	-3.18	-90.26
CC1CC([N-]C(=O)C(F)(F)C(F)(F)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603179	1	37	-2.0	-82.22	326.46	0.20	-82.02
CCN1[N-]C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)=CC1=O	REAL300028603299	0	45	-2.0	-89.90	373.14	0.54	-89.36
CC1CC(NC(=O)CC2=CC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603308	1	42	-2.0	-96.21	347.56	-1.57	-97.78
CC1CC(NC(=O)C2=CC=CC(=S)N2[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603333	0	42	-2.0	-122.28	358.29	4.02	-118.26
CC1CC(NC(=O)CC2SC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603349	0	42	-2.0	-88.17	360.88	-2.93	-91.10
CC1CC(NC(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603368	0	41	-2.0	-92.89	344.34	-1.87	-94.76
CC1CC(NC(=O)C2=C[N-]N=CC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603496	0	40	-2.0	-79.61	332.81	0.06	-79.55
CC1CC(NC(=O)C2=CC=C3N=NN([O-])C3=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603536	0	44	-2.0	-101.10	366.33	0.52	-100.58
CC1CC(NC(=O)C2=CC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603643	0	39	-2.0	-86.33	328.59	-2.11	-88.44
CC1CC(NC(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603648	0	44	-2.0	-87.37	361.16	-0.66	-88.03
CC1CC(NC(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603699	0	42	-2.0	-98.86	347.05	2.06	-96.80
CSC1=NC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C(=O)N1	REAL300028603720	0	44	-2.0	-87.37	373.20	-0.14	-87.51
CSC1=NC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C(=O)[N-]1	REAL300028603720	1	44	-2.0	-87.37	373.20	-0.14	-87.51
CC1SC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)=NC1=O	REAL300028603746	0	41	-2.0	-92.85	355.13	-1.99	-94.84
CC1=C([O-])N=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)S1	REAL300028603746	1	41	-2.0	-92.85	355.13	-1.99	-94.84
CC1CC(NC(=O)C2=CC(=O)C=C(Cl)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603769	0	41	-2.0	-83.32	358.74	1.18	-82.14
CC1CC(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603769	1	41	-2.0	-83.32	358.74	1.18	-82.14
CC1CC(NC(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603794	0	42	-2.0	-103.84	350.14	2.00	-101.84
CC1CC(NC(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028603859	0	42	-2.0	-118.80	347.17	2.99	-115.81
CC1CC(NC(=O)C[N-]C(=O)C(F)(F)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604043	0	41	-2.0	-86.40	357.26	-2.18	-88.58
CC1CC(NC(=O)CC2=C([O-])N=C(N)S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604044	0	43	-2.0	-102.71	363.91	-2.77	-105.48
CC1CC(NC(=O)CC2=NC([O-])=CS2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604110	0	41	-2.0	-105.36	353.41	-2.29	-107.65
CCC1=NC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C(=O)[N-]1	REAL300028604137	1	46	-2.0	-86.53	371.95	0.34	-86.19
CC1CC(NC(=O)CN2N=CC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604150	0	43	-2.0	-95.86	362.91	-3.72	-99.58
CC1CC(NC(=O)C2=C(Cl)C(=O)[N-]S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604235	0	38	-2.0	-87.31	346.15	-0.80	-88.11
COCC1=NC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C(=O)N1	REAL300028604354	0	47	-2.0	-87.51	384.88	-1.42	-88.93
COCC1=NC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C(=O)[N-]1	REAL300028604354	1	47	-2.0	-87.51	384.88	-1.42	-88.93
CC1=CC(=O)C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)=N[N-]1	REAL300028604461	0	43	-2.0	-90.50	357.31	1.67	-88.83
CC1CC(NC(=O)C2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604480	0	38	-2.0	-90.27	321.38	-3.66	-93.93
CC1CC(NC(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604506	0	43	-2.0	-86.14	365.78	0.92	-85.22
CC1CC(NC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604506	1	43	-2.0	-86.14	365.78	0.92	-85.22
CC1CC(NC(=O)C2=CN=C(C=N[O-])S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604654	0	41	-2.0	-98.52	362.27	-0.60	-99.12
CC1CC(NC(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604907	0	42	-2.0	-89.48	349.71	-0.48	-89.96
CC1CC(NC(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604917	1	45	-2.0	-105.78	372.42	-0.09	-105.87
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028604920	0	42	-2.0	-91.36	365.57	-2.29	-93.65
CC1=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C(=S)[N-]C(=O)N1	REAL300028604921	1	44	-2.0	-108.81	377.27	-1.08	-109.89
CC1CC(NC(=O)C2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605150	0	40	-2.0	-88.97	341.72	-5.16	-94.13
CC1CC(NC(=O)C2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605150	1	40	-2.0	-83.38	342.36	-4.40	-87.78
CC1CC(NC(=O)COC2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605229	0	44	-2.0	-92.70	375.49	-5.98	-98.68
CC1CC(NC(=O)COC2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605229	1	44	-2.0	-87.11	375.43	-5.92	-93.03
CC1CC(NC(=O)CN2[N-]C(=O)C=CC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028605382	0	44	-2.0	-95.37	368.68	-1.62	-96.99
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300028605639	1	41	-2.0	-97.01	342.00	1.19	-95.82
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300028605755	1	47	-2.0	-95.93	391.71	0.35	-95.58
CC(=O)[N-]C1=NC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)=CS1	REAL300028605767	1	44	-2.0	-82.76	376.84	0.14	-82.62
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300028605795	0	40	-2.0	-89.44	338.79	-4.02	-93.46
COC1=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)NC(=O)[N-]C1=O	REAL300028605844	1	45	-2.0	-90.49	381.32	-4.13	-94.62
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300028606004	0	42	-2.0	-90.23	355.82	-2.35	-92.58
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCN1C(=O)[N-]NC1=O	REAL300028606922	0	48	-2.0	-89.61	398.34	-1.09	-90.70
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300028607123	1	47	-2.0	-89.07	385.13	0.65	-88.42
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300028607895	0	46	-2.0	-88.39	381.68	-3.42	-91.81
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300028607903	0	44	-2.0	-89.14	366.24	3.44	-85.70
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300028607917	1	42	-2.0	-93.73	359.68	2.93	-90.80
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300028607948	1	43	-2.0	-86.14	364.78	1.59	-84.55
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(N)C(Cl)=C1[O-]	REAL300028607974	0	44	-2.0	-98.62	371.54	0.89	-97.73
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300028608025	0	44	-2.0	-101.79	370.50	3.67	-98.12
CCC1=NC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)[N-]1	REAL300028608054	1	46	-2.0	-87.75	374.01	0.06	-87.69
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300028608075	1	38	-2.0	-89.34	317.76	-1.17	-90.51
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300028608176	0	41	-2.0	-85.75	355.91	-1.67	-87.42
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300028608177	0	43	-2.0	-104.34	371.49	-2.84	-107.18
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C=C1F	REAL300028608204	1	42	-2.0	-89.49	349.64	1.30	-88.19
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300028608213	0	41	-2.0	-85.51	350.95	0.71	-84.80
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300028608223	1	43	-2.0	-87.88	364.93	1.67	-86.21
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300028608229	0	41	-2.0	-88.80	354.40	0.99	-87.81
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1	REAL300028608232	0	44	-2.0	-87.09	379.71	-1.74	-88.83
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300028608248	0	43	-2.0	-94.88	366.17	-3.47	-98.35
CC1=CC=C([O-])C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)=N1	REAL300028608334	1	44	-2.0	-97.40	359.03	2.35	-95.05
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300028608358	0	40	-2.0	-80.78	332.70	-0.24	-81.02
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300028608369	0	42	-2.0	-102.63	354.10	2.21	-100.42
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC([O-])=C1F	REAL300028608486	1	42	-2.0	-99.74	354.30	1.32	-98.42
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300028608557	0	44	-2.0	-89.66	370.73	3.03	-86.63
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300028608620	0	39	-2.0	-85.70	328.40	-1.68	-87.38
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300028608627	0	44	-2.0	-84.15	361.62	-0.29	-84.44
COCC1=NC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)N1	REAL300028608687	0	47	-2.0	-88.53	386.94	-1.70	-90.23
COCC1=NC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)[N-]1	REAL300028608687	1	47	-2.0	-88.53	386.94	-1.70	-90.23
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300028608740	0	42	-2.0	-101.83	350.73	1.78	-100.05
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL300028608773	0	42	-2.0	-92.68	361.95	1.42	-91.26
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NNC(=O)[N-]1	REAL300028608775	0	38	-2.0	-88.81	321.37	-3.14	-91.95
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300028608787	0	42	-2.0	-102.05	349.47	1.73	-100.32
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(N)=CC(=O)[N-]1	REAL300028608923	0	42	-2.0	-92.90	351.39	-2.00	-94.90
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300028608987	0	42	-2.0	-87.74	356.26	2.18	-85.56
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300028608993	1	42	-2.0	-93.29	349.36	2.49	-90.80
CC1=CC=NC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)=C1[O-]	REAL300028609078	1	44	-2.0	-96.55	357.75	2.46	-94.09
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300028609134	0	42	-2.0	-97.51	365.39	2.98	-94.53
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=CC([O-])=C1	REAL300028609246	1	41	-2.0	-90.91	339.53	-0.67	-91.58
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300028609258	0	42	-2.0	-105.61	360.65	2.72	-102.89
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300028609411	1	44	-2.0	-91.47	372.64	-0.30	-91.77
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300028609415	0	41	-2.0	-83.50	358.93	0.79	-82.71
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300028609478	1	42	-2.0	-88.48	357.92	1.74	-86.74
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300028609480	0	45	-2.0	-92.45	376.75	0.70	-91.75
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=NC([O-])=CS1	REAL300028609490	0	41	-2.0	-103.52	356.66	-1.97	-105.49
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300028609513	0	44	-2.0	-90.86	371.93	-1.37	-92.23
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300028609516	0	42	-2.0	-95.97	349.37	2.48	-93.49
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300028609635	0	42	-2.0	-84.68	363.90	-2.74	-87.42
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300028609662	0	42	-2.0	-91.18	355.79	1.37	-89.81
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300028609665	1	43	-2.0	-79.54	362.55	-0.07	-79.61
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300028609670	0	42	-2.0	-97.36	364.02	2.64	-94.72
CC1=CC(=O)C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)=N[N-]1	REAL300028609703	0	43	-2.0	-89.51	357.29	1.99	-87.52
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300028609708	0	47	-2.0	-100.75	388.94	1.68	-99.07
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300028609736	0	42	-2.0	-101.93	349.57	2.09	-99.84
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300028609772	0	42	-2.0	-83.42	355.63	-0.38	-83.80
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300028609773	0	44	-2.0	-90.99	377.04	-5.87	-96.86
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300028609773	1	44	-2.0	-84.64	376.91	-5.80	-90.44
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300028609802	0	44	-2.0	-84.52	374.00	2.75	-81.77
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300028609842	0	41	-2.0	-91.54	345.66	-1.54	-93.08
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300028609876	0	44	-2.0	-86.52	372.48	-0.92	-87.44
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C#N)C=C1[O-]	REAL300028609908	0	43	-2.0	-93.58	363.76	2.82	-90.76
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300028609918	0	43	-2.0	-90.55	363.80	2.83	-87.72
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300028610039	0	42	-2.0	-88.11	354.25	-0.77	-88.88
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C(O)=C1	REAL300028610103	0	42	-2.0	-91.72	350.97	1.29	-90.43
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300028610103	1	42	-2.0	-91.72	350.97	1.29	-90.43
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(O)C2=NC=CC=C2C=C1	REAL300028610111	0	47	-2.0	-107.14	383.85	2.89	-104.25
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300028610111	1	47	-2.0	-107.14	383.85	2.89	-104.25
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300028610115	0	44	-2.0	-92.97	371.11	3.09	-89.88
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300028610118	0	44	-2.0	-87.01	371.10	3.11	-83.90
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C=C1O	REAL300028610129	0	42	-2.0	-95.74	359.68	2.93	-92.81
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300028610129	1	42	-2.0	-95.74	359.68	2.93	-92.81
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300028610215	0	40	-2.0	-89.29	341.71	-4.11	-93.40
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300028610215	1	40	-2.0	-85.86	340.16	-4.18	-90.04
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300028610242	0	44	-2.0	-97.97	366.82	0.28	-97.69
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300028610279	1	47	-2.0	-100.23	386.95	3.73	-96.50
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300028610280	0	38	-2.0	-87.42	347.35	-0.99	-88.41
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300028610299	1	42	-2.0	-88.21	347.34	-1.59	-89.80
CC1=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)[N-]C(=O)C(C#N)=C1	REAL300028610330	0	45	-2.0	-87.73	381.63	0.64	-87.09
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C([O-])=C1F	REAL300028610350	0	42	-2.0	-99.17	355.74	1.35	-97.82
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300028610407	0	42	-2.0	-87.13	366.13	1.86	-85.27
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300028610411	1	43	-2.0	-86.59	364.93	0.75	-85.84
COC1=NC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)=CC(=O)[N-]1	REAL300028610417	0	44	-2.0	-90.52	370.11	-3.36	-93.88
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300028610419	0	44	-2.0	-85.76	363.54	-0.13	-85.89
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300028610427	0	41	-2.0	-92.61	353.62	2.29	-90.32
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300028610433	1	45	-2.0	-94.20	387.82	2.85	-91.35
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300028610466	0	42	-2.0	-87.83	360.77	1.77	-86.06
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC=C1[O-]	REAL300028610476	0	41	-2.0	-97.50	341.68	-0.46	-97.96
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028610483	0	38	-2.0	-90.60	321.64	-1.72	-92.32
CC1=C([O-])N=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)S1	REAL300028610517	1	41	-2.0	-94.06	353.64	-0.87	-94.93
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300028610585	1	48	-2.0	-101.12	387.89	4.76	-96.36
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300028610593	1	48	-2.0	-104.19	389.13	4.68	-99.51
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300028610636	1	44	-2.0	-87.40	374.96	1.26	-86.14
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300028610666	0	41	-2.0	-98.52	363.52	-0.59	-99.11
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300028610696	1	41	-2.0	-83.12	360.45	1.66	-81.46
CSC1=NC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)[N-]1	REAL300028610720	1	44	-2.0	-88.82	375.51	-0.40	-89.22
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300028610728	0	42	-2.0	-85.09	350.85	-3.11	-88.20
CCN1[N-]C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)=CC1=O	REAL300028610805	0	45	-2.0	-88.09	371.20	0.97	-87.12
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300028610823	0	42	-2.0	-87.76	350.92	-0.01	-87.77
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300028610838	0	42	-2.0	-88.88	367.05	-1.99	-90.87
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC(=O)N[N-]1	REAL300028610987	1	42	-2.0	-92.50	350.82	-1.27	-93.77
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300028610994	1	42	-2.0	-90.53	350.94	1.33	-89.20
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300028611047	0	42	-2.0	-90.85	356.97	1.40	-89.45
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300028611052	0	41	-2.0	-91.85	353.71	1.02	-90.83
CC1=C(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)N(C)[N-]1	REAL300028611069	0	48	-2.0	-93.27	393.59	1.16	-92.11
CC1=CN=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C([O-])=C1	REAL300028611115	1	44	-2.0	-100.56	364.55	2.01	-98.55
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CS1	REAL300028611146	0	39	-2.0	-95.21	337.28	0.24	-94.97
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300028611166	0	42	-2.0	-101.43	350.40	1.79	-99.64
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300028611172	0	42	-2.0	-91.43	368.92	2.07	-89.36
CC1CC(NC(=O)C2=CN([O-])C(=O)NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028611216	0	42	-2.0	-87.08	354.10	-0.41	-87.49
CC1CC(NC(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028611251	1	43	-2.0	-78.53	365.16	0.20	-78.33
C[C@@H](CCNC(=O)C1=CN=C(C2CC2)[N-]C1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300028611762	1	43	-2.0	-89.90	376.21	-0.78	-90.68
C[C@@H](CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL300028612069	0	43	-2.0	-83.06	382.25	-2.47	-85.53
C[C@@H](CCNC(=O)CCCN1C(=O)[N-]NC1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300028612617	0	44	-2.0	-101.29	388.19	-3.09	-104.38
CC(C)CN1[N-]C(CC(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028612817	0	50	-2.0	-107.44	422.65	0.67	-106.77
C[C@@H](CCNC(=O)CCC1=NNC(=O)[N-]C1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300028612910	0	42	-2.0	-97.45	375.89	-5.81	-103.26
CC(=O)[N-]C1=NC(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300028612911	1	40	-2.0	-87.06	370.11	-2.33	-89.39
C[C@@H](CCNC(=O)CCN1C=C[N-]C(=O)C1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300028613125	1	43	-2.0	-100.15	381.63	-1.69	-101.84
COC1=C(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300028613269	1	41	-2.0	-95.40	365.31	-4.63	-100.03
C[C@@H](CCNC(=O)C1=NNC(=O)[N-]C1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300028613419	0	36	-2.0	-98.34	331.55	-5.95	-104.29
C[C@@H](CCNC(=O)CN1C(=O)[N-]NC1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300028613561	0	38	-2.0	-102.38	345.67	-4.29	-106.67
CC1=C(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C(C)C)=N1	REAL300028613604	1	48	-2.0	-89.74	402.10	-0.35	-90.09
C[C@@H](CCNC(=O)C1=CN([O-])C(=O)C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028614649	0	38	-2.0	-110.59	342.63	0.17	-110.42
C[C@@H](CCNC(=O)C1=CC(=O)NC([O-])=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028614854	0	38	-2.0	-90.66	343.09	-4.72	-95.38
C[C@@H](CCNC(=O)C1=COC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300028614870	1	34	-2.0	-89.37	315.16	-4.88	-94.25
C[C@@H](CCNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300028614929	1	46	-2.0	-89.83	391.96	-0.22	-90.05
CCN1[N-]C(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028615140	0	41	-2.0	-95.69	364.54	-1.24	-96.93
C[C@@H](CCNC(=O)CC1=CC(=O)N[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300028615150	1	38	-2.0	-104.38	340.66	-3.25	-107.63
C[C@@H](CCNC(=O)C1=CC=CC(=S)N1[O-])NC(=O)C1=CC(=O)[N-]O1	REAL300028615177	0	38	-2.0	-133.83	351.19	2.23	-131.60
C[C@@H](CCNC(=O)CC1SC(=O)[N-]C1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300028615196	0	38	-2.0	-94.00	353.77	-4.74	-98.74
C[C@@H](CCNC(=O)C1=NN(C)C(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300028615215	0	37	-2.0	-99.06	337.32	-3.69	-102.75
CC1=C(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C(=O)NC(C2CC2)=N1	REAL300028615341	0	46	-2.0	-90.37	392.56	-0.14	-90.51
CC1=C(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C2CC2)=N1	REAL300028615341	1	46	-2.0	-90.37	392.56	-0.14	-90.51
C[C@@H](CCNC(=O)C1=C[N-]N=CC1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300028615357	0	36	-2.0	-83.30	324.22	-1.73	-85.03
C[C@@H](CCNC(=O)C1=CC=C2N=NN([O-])C2=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028615398	0	40	-2.0	-109.25	359.19	-1.31	-110.56
C[C@@H](CCNC(=O)C1=CC(=O)N[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300028615521	0	35	-2.0	-91.75	319.99	-3.90	-95.65
C[C@@H](CCNC(=O)C(=O)[PH](C)(C)[O-])NC(=O)C1=CC(=O)[N-]O1	REAL300028615526	0	40	-2.0	-92.74	354.16	-2.39	-95.13
C[C@@H](CCNC(=O)CCC1=NC(=O)NN1)NC(=O)C1=CC(=O)[N-]O1	REAL300028615567	0	40	-2.0	-100.50	355.92	-4.23	-104.73
C[C@@H](CCNC(=O)CCC1=NC(=O)[N-]N1)NC(=O)C1=CC(=O)[N-]O1	REAL300028615567	1	40	-2.0	-100.50	355.92	-4.23	-104.73
C[C@@H](CCNC(=O)C1=CC=CN([O-])C1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300028615577	0	38	-2.0	-98.74	340.23	0.36	-98.38
CSC1=NC=C(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300028615603	0	40	-2.0	-89.08	366.37	-1.84	-90.92
CSC1=NC=C(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028615603	1	40	-2.0	-89.08	366.37	-1.84	-90.92
C[C@@H](CCNC(=O)C1=NC(=O)C(C)S1)NC(=O)C1=CC(=O)[N-]O1	REAL300028615630	0	37	-2.0	-94.82	346.53	-3.76	-98.58
CC1=C([O-])N=C(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)S1	REAL300028615630	1	37	-2.0	-94.82	346.53	-3.76	-98.58
C[C@@H](CCNC(=O)C1=CC(=O)C=C(Cl)N1)NC(=O)C1=CC(=O)[N-]O1	REAL300028615654	0	37	-2.0	-88.79	350.14	-0.59	-89.38
C[C@@H](CCNC(=O)C1=CC(=O)C=C(Cl)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300028615654	1	37	-2.0	-88.79	350.14	-0.59	-89.38
C[C@@H](CCNC(=O)C1=CC(=O)N([O-])C=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028615681	0	38	-2.0	-110.35	343.00	0.16	-110.19
C[C@@H](CCNC(=O)C1=CC=CC(=O)N1[O-])NC(=O)C1=CC(=O)[N-]O1	REAL300028615755	0	38	-2.0	-129.93	340.07	1.21	-128.72
C[C@@H](CCNC(=O)C[N-]C(=O)C(F)(F)F)NC(=O)C1=CC(=O)[N-]O1	REAL300028615972	0	37	-2.0	-92.72	350.12	-4.00	-96.72
C[C@@H](CCNC(=O)CC1=C([O-])N=C(N)S1)NC(=O)C1=CC(=O)[N-]O1	REAL300028615973	0	39	-2.0	-111.47	361.32	-4.84	-116.31
C[C@@H](CCNC(=O)CC1=NC([O-])=CS1)NC(=O)C1=CC(=O)[N-]O1	REAL300028616050	0	37	-2.0	-114.14	346.51	-3.96	-118.10
CCC1=NC=C(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028616081	1	42	-2.0	-88.57	365.12	-1.36	-89.93
C[C@@H](CCNC(=O)CN1N=CC(=O)[N-]C1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300028616095	0	39	-2.0	-104.56	356.01	-5.41	-109.97
C[C@@H](CCNC(=O)C1=C(Cl)C(=O)[N-]S1)NC(=O)C1=CC(=O)[N-]O1	REAL300028616194	0	34	-2.0	-92.72	337.55	-2.58	-95.30
COCC1=NC=C(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300028616329	0	43	-2.0	-89.87	378.06	-3.13	-93.00
COCC1=NC=C(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028616329	1	43	-2.0	-89.87	378.06	-3.13	-93.00
C[C@@H](CCNC(=O)C1=CN=C(CC2CC2)NC1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300028616344	0	46	-2.0	-88.71	396.04	0.23	-88.48
C[C@@H](CCNC(=O)C1=CN=C(CC2CC2)[N-]C1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300028616344	1	46	-2.0	-88.71	396.04	0.23	-88.48
CC1=CC(=O)C(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300028616452	0	39	-2.0	-97.47	348.71	-0.09	-97.56
C[C@@H](CCNC(=O)C1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300028616475	0	34	-2.0	-95.78	314.48	-5.35	-101.13
C[C@@H](CCNC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028616504	0	39	-2.0	-90.27	357.18	-0.88	-91.15
C[C@@H](CCNC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)NC(=O)C1=CC(=O)[N-]O1	REAL300028616504	1	39	-2.0	-90.27	357.18	-0.88	-91.15
C[C@@H](CCNC(=O)C1=CN=C(C=N[O-])S1)NC(=O)C1=CC(=O)[N-]O1	REAL300028616666	0	37	-2.0	-102.98	355.37	-2.29	-105.27
C[C@@H](CCNC(=O)C1=CC(=O)N(C)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300028616942	0	38	-2.0	-94.72	342.81	-2.18	-96.90
C[C@@H](CCNC(=O)C1=CC=CC2=C1C(=O)[N-]C2=O)NC(=O)C1=CC(=O)[N-]O1	REAL300028616952	1	41	-2.0	-116.86	365.52	-1.74	-118.60
C[C@@H](CCNC(=O)CSC1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300028616956	0	38	-2.0	-96.77	356.97	-4.06	-100.83
CC1=C(C(=O)NCC[C@H](C)NC(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300028616957	1	40	-2.0	-104.63	371.31	-2.69	-107.32
C[C@@H](CCNC(=O)C1=NC(=O)[N-]C(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL300028617217	0	36	-2.0	-91.26	333.12	-6.96	-98.22
C[C@@H](CCNC(=O)C1=NC(=O)NC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300028617217	1	36	-2.0	-87.82	333.76	-6.19	-94.01
C[C@@H](CCNC(=O)COC1=NC(=O)[N-]C(=O)N1)NC(=O)C1=CC(=O)[N-]O1	REAL300028617315	0	40	-2.0	-97.39	366.89	-7.74	-105.13
C[C@@H](CCNC(=O)COC1=NC(=O)NC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300028617315	1	40	-2.0	-93.08	366.83	-7.67	-100.75
C[C@@H](CCNC(=O)CN1[N-]C(=O)C=CC1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300028617489	0	40	-2.0	-103.19	361.77	-3.30	-106.49
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CC=C1[O-]	REAL300028617697	1	37	-2.0	-102.34	332.04	-0.46	-102.80
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300028617819	1	43	-2.0	-96.56	381.63	-1.70	-98.26
CC(=O)[N-]C1=NC(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300028617837	1	40	-2.0	-88.19	370.11	-2.33	-90.52
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NNC(=O)[N-]C1=O	REAL300028617878	0	36	-2.0	-94.52	331.55	-5.98	-100.50
COC1=C(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300028617948	1	41	-2.0	-95.60	365.13	-4.66	-100.26
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C(=O)[N-]NC1=O	REAL300028618162	0	38	-2.0	-95.92	345.67	-4.29	-100.21
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300028618232	0	42	-2.0	-97.99	379.21	-1.41	-99.40
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCCN1C(=O)[N-]NC1=O	REAL300028619425	0	44	-2.0	-94.29	388.19	-3.11	-97.40
CC(C)CN1[N-]C(CC(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028619635	0	50	-2.0	-102.14	422.64	0.67	-101.47
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300028619695	1	43	-2.0	-92.10	376.15	-0.78	-92.88
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	REAL300028619949	0	43	-2.0	-85.27	382.25	-2.48	-87.75
CC1=C(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C(C)C)=N1	REAL300028620500	1	48	-2.0	-92.45	402.05	-0.34	-92.79
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC1=NNC(=O)[N-]C1=O	REAL300028620846	0	42	-2.0	-92.96	375.89	-5.83	-98.79
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300028620856	0	40	-2.0	-95.00	362.93	1.46	-93.54
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(Cl)=CC=C1[O-]	REAL300028620875	1	38	-2.0	-99.17	351.54	1.77	-97.40
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC([O-])=CC(C#N)=C1	REAL300028620913	1	39	-2.0	-89.20	357.83	-0.01	-89.21
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(N)C(Cl)=C1[O-]	REAL300028620949	0	40	-2.0	-104.29	363.34	-0.26	-104.55
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300028621020	0	40	-2.0	-107.10	360.82	2.51	-104.59
CCC1=NC=C(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028621059	1	42	-2.0	-90.64	365.04	-1.37	-92.01
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC(=O)[N-]1	REAL300028621089	1	34	-2.0	-91.65	315.16	-4.88	-96.53
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC([O-])=C1[N+](=O)[O-]	REAL300028621181	0	40	-2.0	-106.65	363.98	1.47	-105.18
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C[N-]C(=O)C(F)(F)F	REAL300028621200	0	37	-2.0	-89.83	350.12	-4.00	-93.83
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=C([O-])N=C(N)S1	REAL300028621201	0	39	-2.0	-112.18	361.33	-4.85	-117.03
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(F)C=C([O-])C=C1F	REAL300028621214	0	38	-2.0	-89.41	353.25	-0.42	-89.83
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C([O-])C=C1F	REAL300028621247	1	38	-2.0	-94.15	341.50	-0.27	-94.42
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC([O-])=C2SC=CC2=C1	REAL300028621258	1	41	-2.0	-98.61	373.89	0.97	-97.64
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC([O-])=CC(=O)O1	REAL300028621261	0	37	-2.0	-91.44	340.31	-1.14	-92.58
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(C#N)C([O-])=C1	REAL300028621276	1	39	-2.0	-97.28	357.13	0.07	-97.21
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(Cl)=NC=C1[O-]	REAL300028621282	0	37	-2.0	-95.54	346.97	-0.14	-95.68
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(N)[N-]C(=O)C(C#N)=C1	REAL300028621291	0	40	-2.0	-90.12	361.46	-2.98	-93.10
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)[N-]C(=O)C(F)(F)C(F)(F)C(F)F	REAL300028621293	1	36	-2.0	-85.79	342.01	-0.88	-86.67
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1N=CC(=O)[N-]C1=O	REAL300028621312	0	39	-2.0	-101.96	356.01	-5.41	-107.37
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C[N-]N=CC1=O	REAL300028621456	0	36	-2.0	-83.80	324.22	-1.74	-85.54
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC(F)=C1[O-]	REAL300028621470	0	38	-2.0	-106.95	341.04	1.31	-105.64
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC([O-])=C1F	REAL300028621623	1	38	-2.0	-104.45	341.36	-0.29	-104.74
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300028621717	0	40	-2.0	-98.37	362.96	1.42	-96.95
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)N[N-]1	REAL300028621796	0	35	-2.0	-90.56	319.99	-3.89	-94.45
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300028621804	0	40	-2.0	-90.63	354.16	-2.39	-93.02
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=C(CC2CC2)[N-]C1=O	REAL300028621860	1	46	-2.0	-90.81	395.97	0.23	-90.58
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(N)=C(F)C([O-])=C1F	REAL300028621875	0	40	-2.0	-105.49	361.65	-2.32	-107.81
COCC1=NC=C(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028621886	1	43	-2.0	-91.46	377.98	-3.13	-94.59
CC1=CC(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)=CC([N+](=O)[O-])=C1[O-]	REAL300028621896	0	43	-2.0	-92.83	382.98	2.16	-90.67
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(F)=CC(F)=C1[O-]	REAL300028621925	0	38	-2.0	-99.03	347.44	1.37	-97.66
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)N([O-])C=C1	REAL300028621962	0	38	-2.0	-106.72	343.00	0.16	-106.56
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL300028622003	0	38	-2.0	-97.68	353.82	-0.17	-97.85
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC(=O)N[N-]1	REAL300028622005	0	34	-2.0	-91.60	314.59	-5.19	-96.79
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C([O-])C=CC=C1Cl	REAL300028622010	1	38	-2.0	-102.49	356.21	-0.04	-102.53
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN([O-])C1=O	REAL300028622020	0	38	-2.0	-103.83	340.15	0.35	-103.48
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(F)C=CC([O-])=C1F	REAL300028622067	1	38	-2.0	-93.27	353.09	-0.44	-93.71
CC1=NC2=NC=C(C(=O)N[C@@H](C)CCNC(=O)C3=CC(=O)[N-]O3)C(=O)N2[N-]1	REAL300028622161	0	42	-2.0	-89.63	372.21	1.37	-88.26
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC(N)=CC(=O)[N-]1	REAL300028622209	0	38	-2.0	-98.74	344.16	-4.45	-103.19
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=C(C#N)C(=O)[N-]C1=O	REAL300028622223	0	41	-2.0	-100.56	380.43	-3.12	-103.68
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300028622300	0	38	-2.0	-92.04	352.96	0.20	-91.84
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(F)=CC=C1[O-]	REAL300028622309	1	38	-2.0	-98.78	341.23	1.31	-97.47
CC1=CC=NC(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300028622421	1	40	-2.0	-102.27	352.37	0.23	-102.04
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300028622490	0	38	-2.0	-102.78	357.18	1.81	-100.97
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CC([O-])=C1	REAL300028622628	1	37	-2.0	-96.03	332.00	-2.17	-98.20
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC(=S)N1[O-]	REAL300028622643	0	38	-2.0	-122.97	351.23	2.21	-120.76
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300028622814	1	46	-2.0	-92.04	391.90	-0.23	-92.27
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300028622833	1	40	-2.0	-94.28	365.68	-1.88	-96.16
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C([O-])C(Cl)=N1	REAL300028622838	0	37	-2.0	-88.02	350.35	-1.61	-89.63
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N	REAL300028622915	0	42	-2.0	-95.41	372.67	-0.33	-95.74
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C([O-])C=C1Cl	REAL300028622922	1	38	-2.0	-92.77	349.47	0.17	-92.60
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300028622925	0	41	-2.0	-98.20	368.53	-0.47	-98.67
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NC([O-])=CS1	REAL300028622940	0	37	-2.0	-110.41	346.51	-3.98	-114.39
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C([O-])C=CC=C1F	REAL300028622968	1	38	-2.0	-103.11	346.72	-0.42	-103.53
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300028622972	0	40	-2.0	-96.54	361.78	-3.31	-99.85
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(F)C=C1[O-]	REAL300028622977	0	38	-2.0	-101.43	341.21	1.32	-100.11
CC1=CC=C(F)C([O-])=C1C(=O)N[C@@H](C)CCNC(=O)C1=CC(=O)[N-]O1	REAL300028623037	0	41	-2.0	-98.55	366.16	0.14	-98.41
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1SC(=O)[N-]C1=O	REAL300028623149	0	38	-2.0	-88.12	353.78	-4.74	-92.86
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C([O-])C(F)=C1F	REAL300028623182	0	38	-2.0	-95.96	347.58	-0.20	-96.16
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300028623186	1	39	-2.0	-82.33	356.51	-1.57	-83.90
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC(Cl)=C1[O-]	REAL300028623193	0	38	-2.0	-101.74	350.84	1.78	-99.96
CC1=CC(=O)C(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300028623236	0	39	-2.0	-94.44	348.71	-0.11	-94.55
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300028623241	0	43	-2.0	-105.41	378.49	-0.25	-105.66
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC(=O)N1[O-]	REAL300028623279	0	38	-2.0	-120.19	340.12	1.17	-119.02
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(C#N)[N-]C1=O	REAL300028623327	0	38	-2.0	-85.85	349.92	-1.86	-87.71
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300028623328	0	40	-2.0	-95.45	366.89	-7.75	-103.20
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300028623328	1	40	-2.0	-89.70	366.83	-7.70	-97.40
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300028623360	0	40	-2.0	-90.11	363.67	0.95	-89.16
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN(C)C(=O)[N-]1	REAL300028623409	0	37	-2.0	-96.87	337.32	-3.70	-100.57
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300028623456	0	40	-2.0	-91.16	364.70	-2.51	-93.67
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(F)C=CC(O)=C1O	REAL300028623502	0	39	-2.0	-97.29	357.46	-2.35	-99.64
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300028623502	1	39	-2.0	-97.29	357.46	-2.35	-99.64
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(C#N)=CC=C1[O-]	REAL300028623516	0	39	-2.0	-96.24	355.64	1.66	-94.58
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300028623677	0	38	-2.0	-90.45	345.45	-2.20	-92.65
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300028623721	0	38	-2.0	-95.67	357.37	1.82	-93.85
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(F)C([O-])=C1	REAL300028623761	1	38	-2.0	-101.58	343.20	-0.32	-101.90
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300028623770	1	43	-2.0	-112.75	375.58	1.72	-111.03
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300028623773	0	40	-2.0	-98.09	362.97	1.91	-96.18
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300028623777	0	40	-2.0	-92.37	362.99	1.92	-90.45
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)[N-]C(=O)C(F)(F)C(F)(F)F	REAL300028623779	1	33	-2.0	-81.22	317.89	-1.58	-82.80
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(Cl)C=C1[O-]	REAL300028623791	1	38	-2.0	-101.17	351.54	1.77	-99.40
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300028623823	0	40	-2.0	-88.51	365.18	0.27	-88.24
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300028623932	0	36	-2.0	-87.98	333.76	-6.19	-94.17
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300028623932	1	36	-2.0	-87.98	333.76	-6.19	-94.17
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300028623982	0	40	-2.0	-102.71	359.19	-1.31	-104.02
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(O)C2=CC=CC=C2C=N1	REAL300028624030	0	43	-2.0	-107.38	377.30	1.88	-105.50
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300028624030	1	43	-2.0	-107.38	377.30	1.88	-105.50
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(Cl)C(=O)[N-]S1	REAL300028624031	0	34	-2.0	-91.21	337.56	-2.59	-93.80
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=C(N)NC1=O	REAL300028624059	0	38	-2.0	-90.98	338.35	-3.02	-94.00
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=C(N)[N-]C1=O	REAL300028624059	1	38	-2.0	-90.98	338.35	-3.02	-94.00
CC1=C(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300028624102	0	41	-2.0	-89.42	369.77	-1.21	-90.63
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300028624202	0	38	-2.0	-91.94	359.16	0.28	-91.66
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300028624211	0	39	-2.0	-90.21	357.18	-0.86	-91.07
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300028624211	1	39	-2.0	-90.21	357.18	-0.86	-91.07
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300028624221	0	40	-2.0	-98.84	355.31	-0.43	-99.27
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CC(Cl)=C1[O-]	REAL300028624234	0	37	-2.0	-98.36	348.24	0.06	-98.30
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CC=C(O)C(Cl)=C1	REAL300028624241	0	41	-2.0	-99.79	377.65	0.85	-98.94
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300028624241	1	41	-2.0	-99.79	377.65	0.85	-98.94
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NC=C1O	REAL300028624301	0	37	-2.0	-101.31	330.10	-0.56	-101.87
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NC=C1[O-]	REAL300028624301	1	37	-2.0	-101.31	330.10	-0.56	-101.87
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)[N-]O1	REAL300028624311	0	34	-2.0	-94.87	314.73	-3.41	-98.28
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC(=O)C(C)S1	REAL300028624361	0	37	-2.0	-98.52	346.53	-3.78	-102.30
CC1=C([O-])N=C(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)S1	REAL300028624361	1	37	-2.0	-98.52	346.53	-3.78	-102.30
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(O)C2=CC=CC=C2C=C1	REAL300028624441	0	44	-2.0	-106.97	379.75	3.58	-103.39
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300028624441	1	44	-2.0	-106.97	379.75	3.58	-103.39
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC2=CC=CC=C2C=C1O	REAL300028624450	0	44	-2.0	-109.67	380.84	3.53	-106.14
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300028624450	1	44	-2.0	-109.67	380.84	3.53	-106.14
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)C1=CC=C(O)C=C1	REAL300028624506	0	40	-2.0	-91.68	357.31	-0.51	-92.19
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)C1=CC=C([O-])C=C1	REAL300028624506	1	40	-2.0	-91.68	357.31	-0.51	-92.19
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=C(C=N[O-])S1	REAL300028624546	0	37	-2.0	-101.54	355.37	-2.30	-103.84
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)C=C(Cl)N1	REAL300028624584	0	37	-2.0	-87.18	350.14	-0.60	-87.78
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300028624584	1	37	-2.0	-87.18	350.14	-0.60	-87.78
CSC1=NC=C(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300028624615	0	40	-2.0	-91.53	366.29	-1.85	-93.38
CSC1=NC=C(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028624615	1	40	-2.0	-91.53	366.29	-1.85	-93.38
CCN1[N-]C(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028624722	0	41	-2.0	-93.92	364.54	-1.24	-95.16
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CNC(=O)C1=NC=CC=C1O	REAL300028624733	0	44	-2.0	-103.76	391.02	-1.95	-105.71
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CNC(=O)C1=NC=CC=C1[O-]	REAL300028624733	1	44	-2.0	-103.76	391.02	-1.95	-105.71
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300028624746	0	38	-2.0	-93.10	342.81	-2.17	-95.27
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC2=C1C(=O)NC2=O	REAL300028624760	0	41	-2.0	-106.38	365.52	-1.79	-108.17
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300028624760	1	41	-2.0	-106.38	365.52	-1.79	-108.17
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300028624765	0	38	-2.0	-93.71	356.97	-4.07	-97.78
CC1=C(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C(=S)NC(=O)N1	REAL300028624767	0	40	-2.0	-111.40	369.81	-2.62	-114.02
CC1=C(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300028624767	1	40	-2.0	-111.40	369.81	-2.62	-114.02
CC1=C(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C(=O)NC(C2CC2)=N1	REAL300028624778	0	46	-2.0	-93.07	392.24	-0.14	-93.21
CC1=C(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C2CC2)=N1	REAL300028624778	1	46	-2.0	-93.07	392.24	-0.14	-93.21
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CC(=O)N[N-]1	REAL300028624969	1	38	-2.0	-98.51	340.66	-3.26	-101.77
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300028624976	1	38	-2.0	-95.96	343.16	-0.28	-96.24
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300028625047	0	38	-2.0	-95.13	349.37	-0.21	-95.34
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NC(Cl)=C1[O-]	REAL300028625053	0	37	-2.0	-99.39	346.28	-0.11	-99.50
CC1=C(CC(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300028625076	0	44	-2.0	-97.71	383.48	-0.85	-98.56
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(=O)C1=CC=C([O-])C=C1	REAL300028625087	1	46	-2.0	-93.68	403.10	0.95	-92.73
CC1=CN=C(C(=O)N[C@@H](C)CCNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300028625129	1	40	-2.0	-103.84	353.49	0.17	-103.67
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(O)C=CC(Cl)=C1[O-]	REAL300028625148	0	39	-2.0	-94.68	367.17	-2.71	-97.39
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC([O-])=CS1	REAL300028625174	0	35	-2.0	-98.97	329.22	-1.43	-100.40
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN([O-])C(=O)C=C1	REAL300028625201	0	38	-2.0	-106.05	342.63	0.18	-105.87
C[C@@H](CCNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300028625209	0	38	-2.0	-95.34	357.24	1.84	-93.50
C[C@@H](CCNC(=O)C1=CN([O-])C(=O)NC1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300028625265	0	38	-2.0	-91.25	345.47	-2.18	-93.43
C[C@@H](CCNC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300028625304	1	39	-2.0	-81.97	356.51	-1.56	-83.53
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CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC([O-])=CC(C#N)=C2)CC1	REAL300028631257	1	46	-2.0	-93.54	374.06	3.72	-89.82
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CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300028631368	1	41	-2.0	-94.78	333.60	1.22	-93.56
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C[N-]C(=O)C(F)(F)F)CC1	REAL300028631439	0	44	-2.0	-99.36	371.81	0.14	-99.22
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC2=C([O-])N=C(N)S2)CC1	REAL300028631440	0	46	-2.0	-128.48	383.03	-0.65	-129.13
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=C(F)C=C([O-])C=C2F)CC1	REAL300028631450	0	45	-2.0	-96.29	371.78	3.62	-92.67
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC=C([O-])C=C2F)CC1	REAL300028631466	1	45	-2.0	-107.32	367.53	3.63	-103.69
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1	REAL300028631472	0	44	-2.0	-97.56	358.53	2.93	-94.63
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC=C(C#N)C([O-])=C2)CC1	REAL300028631480	1	46	-2.0	-106.20	373.35	3.79	-102.41
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CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CN2N=CC(=O)[N-]C2=O)CC1	REAL300028631501	0	46	-2.0	-117.15	377.71	-1.27	-118.42
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CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300028631587	0	43	-2.0	-107.30	354.43	2.11	-105.19
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC=CC(F)=C2[O-])CC1	REAL300028631598	0	45	-2.0	-127.41	367.11	4.23	-123.18
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC=CC([O-])=C2F)CC1	REAL300028631697	1	45	-2.0	-123.68	367.38	3.63	-120.05
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300028631808	0	42	-2.0	-98.86	338.48	0.71	-98.15
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C(=O)[PH](C)(C)[O-])CC1	REAL300028631814	0	47	-2.0	-84.65	372.85	2.03	-82.62
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC(F)=CC(F)=C2[O-])CC1	REAL300028631887	0	45	-2.0	-117.34	373.52	4.27	-113.07
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1	REAL300028631912	0	45	-2.0	-113.41	359.08	3.89	-109.52
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300028631938	0	41	-2.0	-96.50	333.38	0.33	-96.17
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=C([O-])C=CC=C2Cl)CC1	REAL300028631941	1	45	-2.0	-101.80	372.46	3.91	-97.89
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC=CN([O-])C2=O)CC1	REAL300028631946	0	45	-2.0	-106.28	357.38	3.66	-102.62
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=C(F)C=CC([O-])=C2F)CC1	REAL300028631975	1	45	-2.0	-99.85	371.61	3.58	-96.27
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=NC(N)=CC(=O)[N-]2)CC1	REAL300028632065	0	45	-2.0	-109.21	362.27	0.66	-108.55
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300028632119	0	45	-2.0	-99.28	369.16	3.92	-95.36
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300028632124	1	45	-2.0	-110.36	357.83	4.85	-105.51
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CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300028632310	1	44	-2.0	-99.48	354.03	1.71	-97.77
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC=CC(=S)N2[O-])CC1	REAL300028632320	0	45	-2.0	-108.42	381.32	4.63	-103.79
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC1	REAL300028632437	0	44	-2.0	-92.61	368.42	3.53	-89.08
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC=C([O-])C=C2Cl)CC1	REAL300028632481	1	45	-2.0	-104.88	376.17	4.07	-100.81
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])CC1	REAL300028632483	0	48	-2.0	-113.42	394.61	2.51	-110.91
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CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC=CC(Cl)=C2[O-])CC1	REAL300028632651	0	45	-2.0	-120.61	376.92	4.71	-115.90
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CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=C(F)C=CC(O)=C2O)CC1	REAL300028632842	0	46	-2.0	-105.65	375.99	1.68	-103.97
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC1	REAL300028632842	1	46	-2.0	-105.65	375.99	1.68	-103.97
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC(C#N)=CC=C2[O-])CC1	REAL300028632851	0	46	-2.0	-106.22	372.25	5.19	-101.03
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1	REAL300028632946	0	45	-2.0	-105.32	375.83	1.63	-103.69
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CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC=C(Cl)C=C2[O-])CC1	REAL300028633021	1	45	-2.0	-120.23	377.61	4.68	-115.55
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1	REAL300028633093	0	43	-2.0	-93.84	351.81	-0.41	-94.25
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1	REAL300028633093	1	43	-2.0	-93.84	351.81	-0.41	-94.25
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CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CN=C(N)[N-]C2=O)CC1	REAL300028633153	1	45	-2.0	-115.25	367.53	0.75	-114.50
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CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC1	REAL300028633420	1	47	-2.0	-99.31	386.67	3.59	-95.72
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CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)CC2=CC(=O)N[N-]2)CC1	REAL300028633720	1	45	-2.0	-110.51	362.36	0.94	-109.57
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC=C(O)C(F)=C2)CC1	REAL300028633725	0	45	-2.0	-103.17	359.37	3.44	-99.73
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300028633725	1	45	-2.0	-103.17	359.37	3.44	-99.73
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC1	REAL300028633773	0	45	-2.0	-101.11	365.58	3.51	-97.60
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC=NC(Cl)=C2[O-])CC1	REAL300028633778	0	44	-2.0	-118.52	372.26	2.64	-115.88
CC1=CN=C(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C(O)=C1	REAL300028633830	0	47	-2.0	-116.07	371.60	5.32	-110.75
CC1=CN=C(C(=O)N2CCCC(N(C)C(=O)C3=CC(=O)[N-]O3)CC2)C([O-])=C1	REAL300028633830	1	47	-2.0	-116.07	371.60	5.32	-110.75
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CC([O-])=CS2)CC1	REAL300028633853	0	42	-2.0	-112.26	343.61	2.12	-110.14
CN(C(=O)C1=CC(=O)[N-]O1)C1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1	REAL300028633869	0	45	-2.0	-113.35	358.71	3.88	-109.47
CN(C(=O)C1=CN([O-])C(=O)NC1=O)C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028633899	0	45	-2.0	-102.80	373.75	1.55	-101.25
O=C(NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300028634596	1	42	-2.0	-102.92	354.17	-0.13	-103.05
O=C(CC1=CC(=O)N[N-]1)NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1	REAL300028634668	1	46	-2.0	-106.81	379.65	1.47	-105.34
CN1N=C(C(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300028634676	0	45	-2.0	-104.21	377.20	1.14	-103.07
O=C(NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300028634701	0	44	-2.0	-97.56	363.22	2.99	-94.57
O=C(NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300028634733	0	43	-2.0	-101.58	358.98	0.83	-100.75
O=C(NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300028634879	0	42	-2.0	-99.66	354.55	-0.37	-100.03
CN1[N-]C(C(=O)NCC2C3=CC=CC=C3CCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028634954	0	46	-2.0	-104.28	381.81	2.56	-101.72
O=C(NCC1C2=CC=CC=C2CCN1C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300028635278	1	45	-2.0	-117.90	371.32	4.74	-113.16
O=C(NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)N=C[N-]1)C1=CC(=O)[N-]O1	REAL300028635661	1	44	-2.0	-103.56	367.55	2.82	-100.74
O=C(NCC1C2=CC=CC=C2CCN1C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300028635705	1	42	-2.0	-93.80	353.97	1.39	-92.41
O=C(NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)N=C[N-]1)C1=CC(=O)[N-]O1	REAL300028635745	1	44	-2.0	-103.56	367.55	2.82	-100.74
O=C(NCC1C2=CC=CC=C2CCN1C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300028635766	0	44	-2.0	-88.78	359.20	2.50	-86.28
O=C(NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300028635819	0	43	-2.0	-100.73	358.83	1.31	-99.42
O=C(NCC1C2=CC=CC=C2CCN1C(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300028635847	0	42	-2.0	-94.13	354.66	0.77	-93.36
O=C(NCC1C2=CC=CC=C2CCN1C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300028635938	1	45	-2.0	-93.66	380.87	1.97	-91.69
CN1N=C(C(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300028636030	0	45	-2.0	-108.89	376.34	1.51	-107.38
O=C(NCC1C2=CC=CC=C2CCN1C(=O)C1=CC=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300028636134	0	45	-2.0	-118.63	368.04	3.60	-115.03
O=C(NCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300028636136	0	42	-2.0	-104.03	353.70	1.32	-102.71
CN1[N-]C(C(=O)N2CCC3=CC=CC=C3C2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028636210	0	46	-2.0	-103.89	381.58	3.02	-100.87
O=C(CC1=CC(=O)N[N-]1)N1CCC2=CC=CC=C2C1CNC(=O)C1=CC(=O)[N-]O1	REAL300028636247	1	46	-2.0	-115.80	382.93	1.90	-113.90
O=C(NCC1C2=CC=CC=C2CCN1C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300028636285	0	43	-2.0	-110.26	369.28	3.00	-107.26
O=C(C1=COC(=O)[N-]1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637038	1	43	-2.0	-82.97	347.59	-0.85	-83.82
O=C(CC1=CC(=O)N[N-]1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637117	1	47	-2.0	-101.97	376.80	-0.45	-102.42
CN1N=C(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)[N-]C1=O	REAL300028637126	0	46	-2.0	-92.98	370.32	-0.77	-93.75
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CN(C(=O)C1=C[N-]N=CC1=O)CCO2	REAL300028637158	0	45	-2.0	-85.09	358.08	0.49	-84.60
O=C(C1=CC(=O)N[N-]1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028637192	0	44	-2.0	-85.69	352.80	-0.94	-86.63
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CN(C(=O)C1=NC(=O)N[N-]1)CCO2	REAL300028637370	0	43	-2.0	-90.17	347.17	-1.61	-91.78
CN1[N-]C(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC1=O	REAL300028637458	0	47	-2.0	-95.13	375.14	0.71	-94.42
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=NC=CC=C3[O-])CC2)C1	REAL300028637814	1	46	-2.0	-103.30	368.24	2.11	-101.19
O=C(C1=COC(=O)[N-]1)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638310	1	43	-2.0	-91.89	347.47	-0.85	-92.74
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=C[N-]N=CC3=O)CC2)C1	REAL300028638384	0	45	-2.0	-85.38	360.36	0.51	-84.87
O=C(C1=CC(=O)N[N-]1)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638445	0	44	-2.0	-88.74	352.56	-0.97	-89.71
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=NC(=O)N[N-]3)CC2)C1	REAL300028638479	0	43	-2.0	-84.15	347.12	-1.59	-85.74
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CN=CC([O-])=C3)CC2)C1	REAL300028638589	1	46	-2.0	-85.74	367.81	0.31	-85.43
CN1N=C(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)[N-]C1=O	REAL300028638700	0	46	-2.0	-94.41	369.95	-0.77	-95.18
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CC=NC=C3[O-])CC2)C1	REAL300028638833	0	46	-2.0	-101.83	365.09	1.36	-100.47
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638836	0	43	-2.0	-93.60	347.99	-0.74	-94.34
CN1[N-]C(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=CC1=O	REAL300028638925	0	47	-2.0	-90.79	375.30	0.75	-90.04
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028638973	1	47	-2.0	-98.58	376.52	-0.57	-99.15
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CC([O-])=CS3)CC2)C1	REAL300028639017	0	44	-2.0	-98.22	361.21	0.81	-97.41
O=C(C1=COC(=O)[N-]1)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639776	1	43	-2.0	-91.89	347.47	-0.85	-92.74
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639855	1	47	-2.0	-98.58	376.52	-0.57	-99.15
CN1N=C(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)[N-]C1=O	REAL300028639864	0	46	-2.0	-94.41	369.95	-0.77	-95.18
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=C[N-]N=CC3=O)CC2)C1	REAL300028639896	0	45	-2.0	-85.38	360.36	0.51	-84.87
O=C(C1=CC(=O)N[N-]1)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028639930	0	44	-2.0	-88.74	352.56	-0.97	-89.71
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=NC(=O)N[N-]3)CC2)C1	REAL300028640108	0	43	-2.0	-84.15	347.12	-1.59	-85.74
CN1[N-]C(C(=O)N2CCC3(CC2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=CC1=O	REAL300028640196	0	47	-2.0	-90.79	375.30	0.75	-90.04
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CN(C(=O)C1=NC=CC=C1[O-])CCO2	REAL300028640552	1	46	-2.0	-106.77	364.94	2.67	-104.10
O=C(C1=COC(=O)[N-]1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641048	1	43	-2.0	-82.97	347.59	-0.85	-83.82
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CN(C(=O)C1=C[N-]N=CC1=O)CCO2	REAL300028641122	0	45	-2.0	-85.09	358.08	0.49	-84.60
O=C(C1=CC(=O)N[N-]1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641183	0	44	-2.0	-85.69	352.80	-0.94	-86.63
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CN(C(=O)C1=NC(=O)N[N-]1)CCO2	REAL300028641217	0	43	-2.0	-90.17	347.17	-1.61	-91.78
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CN(C(=O)C1=CN=CC([O-])=C1)CCO2	REAL300028641327	1	46	-2.0	-102.23	367.02	0.03	-102.20
CN1N=C(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)[N-]C1=O	REAL300028641438	0	46	-2.0	-92.98	370.32	-0.77	-93.75
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CN(C(=O)C1=CC=NC=C1[O-])CCO2	REAL300028641571	0	46	-2.0	-108.35	364.34	1.38	-106.97
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028641574	0	43	-2.0	-93.60	347.99	-0.74	-94.34
CN1[N-]C(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC1=O	REAL300028641663	0	47	-2.0	-95.13	375.14	0.71	-94.42
O=C(CC1=CC(=O)N[N-]1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028641711	1	47	-2.0	-101.97	376.80	-0.45	-102.42
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CN(C(=O)C1=CC([O-])=CS1)CCO2	REAL300028641755	0	44	-2.0	-103.00	360.93	0.79	-102.21
O=C(NCCCCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N[N-]1	REAL300028642201	1	50	-2.0	-87.13	411.09	-2.21	-89.34
O=C(NCCCCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)N[N-]1	REAL300028642272	1	49	-2.0	-87.47	405.68	-3.49	-90.96
O=C(NCCCCCN1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300028642745	1	50	-2.0	-86.36	411.66	-1.66	-88.02
O=C(NCCCCCN1CCN(C(=O)C2=NNC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300028642758	1	49	-2.0	-89.95	406.36	-3.15	-93.10
O=C(NCCCCCN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)[N-]O1	REAL300028642907	1	49	-2.0	-90.86	406.61	-1.70	-92.56
CCN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643504	1	44	-2.0	-116.89	368.16	1.92	-114.97
CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028643811	0	44	-2.0	-77.82	369.51	1.52	-76.30
CCN(C(=O)CCCN1C(=O)[N-]NC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644361	0	45	-2.0	-126.51	379.50	0.35	-126.16
CCN(C(=O)CC1=CC(=O)N(CC(C)C)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644558	0	51	-2.0	-137.60	416.47	4.44	-133.16
CCN(C(=O)CCC1=NNC(=O)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644652	0	43	-2.0	-91.17	368.96	-3.76	-94.93
CCN(C(=O)C1=CSC([N-]C(C)=O)=N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644653	1	41	-2.0	-84.19	359.73	0.97	-83.22
CCN(C(=O)CCN1C=C[N-]C(=O)C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028644867	1	44	-2.0	-117.89	372.94	1.77	-116.12
CCN(C(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645012	1	42	-2.0	-113.06	363.44	-2.57	-115.63
CCN(C(=O)C1=NNC(=O)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645163	0	37	-2.0	-127.62	318.92	-2.37	-129.99
CCN(C(=O)CN1C(=O)[N-]NC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645305	0	39	-2.0	-129.58	337.06	-0.88	-130.46
CCN(C(=O)C1=C(C)N=C(C(C)C)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645348	1	49	-2.0	-99.57	402.59	1.25	-98.32
CCN(C(=O)CN1[N-]C=C2C1=NC=NC2=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028645486	0	43	-2.0	-96.33	371.91	0.71	-95.62
CCN(C(=O)C1=CN([O-])C(=O)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646400	0	39	-2.0	-134.21	328.94	3.21	-131.00
CCN(C(=O)C1=CC(=O)NC([O-])=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646607	0	39	-2.0	-88.70	332.82	-2.80	-91.50
CCN(C(=O)C1=COC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646623	1	35	-2.0	-104.90	303.12	0.53	-104.37
CCN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646686	1	47	-2.0	-89.62	384.30	1.36	-88.26
CCN(C(=O)C1=CC(=O)N(CC)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646907	0	42	-2.0	-94.07	354.32	1.52	-92.55
CCN(C(=O)CC1=CC(=O)N[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646918	1	39	-2.0	-132.51	332.05	0.19	-132.32
CCN(C(=O)C1=CC=CC(=S)N1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646945	0	39	-2.0	-129.83	342.36	3.67	-126.16
CCN(C(=O)CC1SC(=O)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646964	0	39	-2.0	-85.84	346.85	-2.66	-88.50
CCN(C(=O)C1=NN(C)C(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028646984	0	38	-2.0	-98.13	327.40	-0.99	-99.12
CCN(C(=O)C1=C(C)N=C(C2CC2)NC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647116	0	47	-2.0	-100.18	392.77	1.46	-98.72
CCN(C(=O)C1=C(C)N=C(C2CC2)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647116	1	47	-2.0	-100.18	392.77	1.46	-98.72
CCN(C(=O)C1=C[N-]N=CC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647132	0	37	-2.0	-107.30	316.59	0.96	-106.34
CCN(C(=O)C1=CC=C2N=NN([O-])C2=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647176	0	41	-2.0	-108.82	347.89	1.72	-107.10
CCN(C(=O)C1=CC(=O)N[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647303	0	36	-2.0	-90.30	309.82	-1.13	-91.43
CCN(C(=O)C(=O)[PH](C)(C)[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647308	0	41	-2.0	-116.23	343.52	2.04	-114.19
CCN(C(=O)C1=CC=CN([O-])C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647362	0	39	-2.0	-143.71	334.85	3.33	-140.38
CCN(C(=O)C1=CN=C(SC)NC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647388	0	41	-2.0	-127.77	360.84	1.01	-126.76
CCN(C(=O)C1=CN=C(SC)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647388	1	41	-2.0	-127.77	360.84	1.01	-126.76
CCN(C(=O)C1=NC(=O)C(C)S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647416	0	38	-2.0	-110.81	333.92	1.19	-109.62
CCN(C(=O)C1=NC([O-])=C(C)S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647416	1	38	-2.0	-110.81	333.92	1.19	-109.62
CCN(C(=O)C1=CC(=O)C=C(Cl)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647440	0	38	-2.0	-113.56	337.14	3.73	-109.83
CCN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647440	1	38	-2.0	-113.56	337.14	3.73	-109.83
CCN(C(=O)C1=CC(=O)N([O-])C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647468	0	39	-2.0	-132.88	329.14	3.22	-129.66
CCN(C(=O)C1=CC=CC(=O)N1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647543	0	39	-2.0	-126.09	331.25	2.72	-123.37
CCN(C(=O)CC1=C([O-])N=C(N)S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647762	0	40	-2.0	-107.12	354.02	-2.69	-109.81
CCN(C(=O)CC1=NC([O-])=CS1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647841	0	38	-2.0	-143.37	337.90	-0.52	-143.89
CCC1=NC=C(C(=O)N(CC)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028647873	1	43	-2.0	-88.44	357.45	0.24	-88.20
CCN(C(=O)CN1N=CC(=O)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647887	0	40	-2.0	-96.80	349.08	-3.39	-100.19
CCN(C(=O)C1=C(Cl)C(=O)[N-]S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028647987	0	35	-2.0	-94.30	323.77	-0.80	-95.10
CCN(C(=O)C1=CN=C(COC)NC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648127	0	44	-2.0	-115.90	370.26	-0.49	-116.39
CCN(C(=O)C1=CN=C(COC)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648127	1	44	-2.0	-115.90	370.26	-0.49	-116.39
CCN(C(=O)C1=CN=C(CC2CC2)NC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648142	0	47	-2.0	-88.59	388.40	1.84	-86.75
CCN(C(=O)C1=CN=C(CC2CC2)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648142	1	47	-2.0	-88.59	388.40	1.84	-86.75
CCN(C(=O)C1=N[N-]C(C)=CC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648250	0	40	-2.0	-124.02	336.07	3.49	-120.53
CCN(C(=O)C1=NC(=O)N[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648273	0	35	-2.0	-87.87	304.66	-1.48	-89.35
CCN(C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648303	0	40	-2.0	-89.72	347.19	1.21	-88.51
CCN(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648303	1	40	-2.0	-89.72	347.19	1.21	-88.51
CCN(C(=O)C1=CN=C(C=N[O-])S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648466	0	38	-2.0	-126.36	339.00	0.51	-125.85
CCN(C(=O)C1=CC(=O)N(C)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648752	0	39	-2.0	-93.12	332.58	0.59	-92.53
CCN(C(=O)C1=CC=CC2=C1C(=O)NC2=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648762	0	42	-2.0	-145.00	352.68	0.85	-144.15
CCN(C(=O)C1=CC=CC2=C1C(=O)[N-]C2=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648762	1	42	-2.0	-145.00	352.68	0.85	-144.15
CCN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648766	0	39	-2.0	-90.67	350.04	-1.96	-92.63
CCN(C(=O)C1=C(C)NC(=O)NC1=S)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648767	0	41	-2.0	-131.84	361.22	0.60	-131.24
CCN(C(=O)C1=C(C)NC(=O)[N-]C1=S)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028648767	1	41	-2.0	-131.84	361.22	0.60	-131.24
CCN(C(=O)C1=NC(=O)[N-]C(=O)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649032	0	37	-2.0	-109.98	321.29	-1.10	-111.08
CCN(C(=O)C1=NC(=O)NC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649032	1	37	-2.0	-109.98	321.29	-1.10	-111.08
CCN(C(=O)COC1=NC(=O)[N-]C(=O)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649132	0	41	-2.0	-86.43	359.89	-5.61	-92.04
CCN(C(=O)COC1=NC(=O)NC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649132	1	41	-2.0	-86.43	359.89	-5.61	-92.04
CCN(C(=O)CN1[N-]C(=O)C=CC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028649311	0	41	-2.0	-94.80	354.85	-1.29	-96.09
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC=CC=C2O)C1	REAL300028649556	0	38	-2.0	-129.56	318.91	3.13	-126.43
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300028649556	1	38	-2.0	-129.56	318.91	3.13	-126.43
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCN2C=CNC(=O)C2=O)C1	REAL300028649686	0	44	-2.0	-129.64	370.16	1.75	-127.89
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1	REAL300028649686	1	44	-2.0	-129.64	370.16	1.75	-127.89
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CSC(NC(C)=O)=N2)C1	REAL300028649704	0	41	-2.0	-90.47	360.70	0.26	-90.21
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CSC([N-]C(C)=O)=N2)C1	REAL300028649704	1	41	-2.0	-90.47	360.70	0.26	-90.21
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300028649745	0	37	-2.0	-119.59	318.52	-2.51	-122.10
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(OC)C(=O)NC(=O)N2)C1	REAL300028649815	0	42	-2.0	-94.34	354.41	-2.28	-96.62
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C1	REAL300028649815	1	42	-2.0	-94.34	354.41	-2.28	-96.62
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300028650028	0	39	-2.0	-119.92	334.20	-0.88	-120.80
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2[N-]C=C3C2=NC=NC3=O)C1	REAL300028650098	0	43	-2.0	-119.00	367.74	2.02	-116.98
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCN2C(=O)[N-]NC2=O)C1	REAL300028651296	0	45	-2.0	-113.34	376.72	0.33	-113.01
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC(=O)N(CC(C)C)[N-]2)C1	REAL300028651507	0	51	-2.0	-128.36	413.60	4.42	-123.94
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300028651567	1	44	-2.0	-103.60	365.72	2.31	-101.29
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1	REAL300028651821	0	44	-2.0	-88.85	373.57	0.24	-88.61
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(C)N=C(C(C)C)[N-]C2=O)C1	REAL300028652376	1	49	-2.0	-137.61	399.44	3.54	-134.07
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)C1	REAL300028652722	0	43	-2.0	-93.41	369.02	-3.40	-96.81
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1	REAL300028652732	0	41	-2.0	-117.14	347.77	4.40	-112.74
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300028652751	1	39	-2.0	-99.92	341.99	3.65	-96.27
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300028652792	1	40	-2.0	-91.20	346.46	1.96	-89.24
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C1	REAL300028652829	0	41	-2.0	-104.49	353.79	1.63	-102.86
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1	REAL300028652901	0	41	-2.0	-105.25	351.27	4.45	-100.80
CCC1=NC=C(C(=O)N2CC(N(CC)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028652940	1	43	-2.0	-102.18	354.65	1.72	-100.46
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300028652970	1	35	-2.0	-113.44	302.42	-1.05	-114.49
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1	REAL300028653067	0	41	-2.0	-103.18	354.43	3.15	-100.03
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300028653087	0	38	-2.0	-91.60	343.25	-1.59	-93.19
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300028653088	0	40	-2.0	-147.72	349.84	-1.41	-149.13
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300028653101	0	39	-2.0	-110.00	340.53	3.65	-106.35
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300028653134	1	39	-2.0	-92.59	331.91	1.69	-90.90
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([O-])=C3SC=CC3=C2)C1	REAL300028653145	1	42	-2.0	-117.67	360.03	3.93	-113.74
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300028653148	0	38	-2.0	-91.75	330.79	1.12	-90.63
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300028653163	1	40	-2.0	-122.52	343.29	3.02	-119.50
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300028653169	0	38	-2.0	-96.64	335.54	1.85	-94.79
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(N)[N-]C(=O)C(C#N)=C2)C1	REAL300028653178	0	41	-2.0	-114.76	357.40	0.09	-114.67
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300028653199	0	40	-2.0	-104.01	348.41	-3.01	-107.02
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC(C)=CC=C2[O-])C1	REAL300028653312	1	41	-2.0	-107.07	344.07	2.76	-104.31
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2=NNC(=O)[N-]2)C1	REAL300028653316	0	41	-2.0	-112.00	344.57	-0.27	-112.27
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300028653345	0	37	-2.0	-118.95	311.55	2.39	-116.56
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300028653360	0	39	-2.0	-106.41	331.47	3.21	-103.20
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300028653518	1	39	-2.0	-101.97	331.74	1.70	-100.27
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1	REAL300028653616	0	41	-2.0	-109.74	349.15	4.39	-105.35
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300028653695	0	36	-2.0	-92.17	310.79	-1.42	-93.59
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300028653703	0	41	-2.0	-109.23	343.51	1.75	-107.48
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(=O)C=C([O-])C2=CC=CC=N2)C1	REAL300028653738	0	44	-2.0	-134.86	375.09	4.35	-130.51
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(CC3CC3)NC2=O)C1	REAL300028653762	0	47	-2.0	-102.23	385.55	3.31	-98.92
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)C1	REAL300028653762	1	47	-2.0	-102.23	385.55	3.31	-98.92
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(COC)NC2=O)C1	REAL300028653788	0	44	-2.0	-102.54	367.57	-0.04	-102.58
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(COC)[N-]C2=O)C1	REAL300028653788	1	44	-2.0	-102.54	367.57	-0.04	-102.58
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(C)=C([O-])C([N+](=O)[O-])=C2)C1	REAL300028653798	0	44	-2.0	-93.37	371.60	4.12	-89.25
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300028653864	0	39	-2.0	-104.39	331.57	2.14	-102.25
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C1	REAL300028653905	0	39	-2.0	-94.64	344.21	1.81	-92.83
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300028653907	0	35	-2.0	-115.57	302.02	-1.59	-117.16
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300028653912	1	39	-2.0	-107.61	348.35	2.30	-105.31
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300028653922	0	39	-2.0	-125.24	339.70	2.44	-122.80
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300028653971	1	39	-2.0	-110.64	340.45	3.64	-107.00
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C3N=C(C)[N-]N3C2=O)C1	REAL300028654066	0	43	-2.0	-105.08	371.71	3.40	-101.68
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1	REAL300028654116	0	39	-2.0	-125.00	331.30	-0.92	-125.92
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2C=C(C#N)C(=O)[N-]C2=O)C1	REAL300028654132	0	42	-2.0	-131.77	368.94	0.30	-131.47
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300028654209	0	39	-2.0	-91.80	341.58	2.16	-89.64
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300028654218	1	39	-2.0	-99.58	331.67	3.21	-96.37
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC=CC(C)=C2[O-])C1	REAL300028654334	1	41	-2.0	-129.40	339.22	3.81	-125.59
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1	REAL300028654403	0	39	-2.0	-137.61	346.07	4.75	-132.86
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300028654544	1	38	-2.0	-93.87	320.59	-0.22	-94.09
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300028654560	0	39	-2.0	-121.02	339.90	4.21	-116.81
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300028654735	1	47	-2.0	-133.57	378.87	3.92	-129.65
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C1	REAL300028654754	1	41	-2.0	-96.78	353.85	-0.01	-96.79
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300028654759	0	38	-2.0	-89.60	340.76	0.97	-88.63
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2N)C1	REAL300028654837	0	43	-2.0	-110.53	362.35	2.75	-107.78
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300028654844	1	39	-2.0	-91.56	340.33	2.13	-89.43
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1	REAL300028654847	0	42	-2.0	-99.18	359.00	1.42	-97.76
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300028654862	0	38	-2.0	-111.40	338.91	-1.55	-112.95
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300028654890	0	39	-2.0	-98.20	338.86	1.92	-96.28
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300028654894	0	41	-2.0	-98.04	354.18	-0.90	-98.94
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300028654899	0	39	-2.0	-100.45	331.67	3.22	-97.23
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(C)C=CC(F)=C2[O-])C1	REAL300028654959	0	42	-2.0	-117.48	359.24	2.57	-114.91
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300028655072	0	39	-2.0	-88.02	347.32	-2.32	-90.34
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300028655106	0	39	-2.0	-121.08	336.45	2.80	-118.28
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1	REAL300028655110	1	40	-2.0	-94.66	356.00	0.42	-94.24
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300028655117	0	39	-2.0	-101.78	341.27	3.68	-98.10
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=N[N-]C(C)=CC2=O)C1	REAL300028655161	0	40	-2.0	-121.37	335.71	3.35	-118.02
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C1	REAL300028655166	0	44	-2.0	-133.78	367.61	3.21	-130.57
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300028655205	0	39	-2.0	-119.68	328.78	3.16	-116.52
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300028655255	0	39	-2.0	-128.20	344.13	2.13	-126.07
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C1	REAL300028655256	0	41	-2.0	-95.39	360.02	-5.29	-100.68
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C1	REAL300028655256	1	41	-2.0	-90.14	359.99	-5.24	-95.38
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1	REAL300028655288	0	41	-2.0	-110.93	350.01	4.88	-106.05
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300028655338	0	38	-2.0	-98.26	328.17	-1.22	-99.48
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C1	REAL300028655385	0	41	-2.0	-113.63	350.83	0.44	-113.19
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300028655432	0	40	-2.0	-99.24	350.54	0.07	-99.17
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300028655432	1	40	-2.0	-99.24	350.54	0.07	-99.17
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300028655447	0	40	-2.0	-97.11	346.11	3.55	-93.56
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300028655610	0	39	-2.0	-96.04	335.03	0.86	-95.18
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C1	REAL300028655654	0	39	-2.0	-95.44	347.80	3.71	-91.73
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300028655694	1	39	-2.0	-98.47	331.83	1.63	-96.84
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1	REAL300028655704	1	44	-2.0	-113.38	366.09	3.61	-109.77
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1	REAL300028655708	0	41	-2.0	-96.24	353.42	3.82	-92.42
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1	REAL300028655712	0	41	-2.0	-121.14	351.88	4.86	-116.28
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300028655726	1	39	-2.0	-100.66	341.98	3.66	-97.00
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1	REAL300028655758	0	41	-2.0	-89.67	353.81	2.24	-87.43
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300028655867	0	37	-2.0	-94.47	323.60	-4.16	-98.63
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300028655867	1	37	-2.0	-89.55	324.25	-3.39	-92.94
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1	REAL300028655917	0	41	-2.0	-99.81	347.83	0.64	-99.17
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300028655966	1	44	-2.0	-135.71	364.35	5.52	-130.19
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1	REAL300028655967	0	35	-2.0	-115.19	323.08	0.61	-114.58
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300028655996	1	39	-2.0	-107.32	337.85	-1.01	-108.33
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(C)C=C(C#N)C(=O)[N-]2)C1	REAL300028656039	0	42	-2.0	-92.09	360.06	1.57	-90.52
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300028656068	0	39	-2.0	-135.33	336.42	2.77	-132.56
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300028656141	0	39	-2.0	-90.75	347.31	2.15	-88.60
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1	REAL300028656150	1	40	-2.0	-90.30	345.71	1.09	-89.21
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)[N-]C(OC)=N2)C1	REAL300028656157	0	41	-2.0	-120.37	346.32	-2.19	-122.56
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1	REAL300028656160	0	41	-2.0	-106.15	354.37	0.40	-105.75
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300028656173	0	38	-2.0	-101.83	338.65	2.69	-99.14
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C1	REAL300028656180	1	42	-2.0	-118.41	366.18	4.29	-114.12
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300028656232	0	39	-2.0	-94.97	341.62	2.12	-92.85
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300028656244	0	38	-2.0	-102.21	318.66	1.44	-100.77
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028656254	0	35	-2.0	-119.49	302.29	-0.10	-119.59
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC([O-])=C(C)S2)C1	REAL300028656305	1	38	-2.0	-119.27	333.90	-0.07	-119.34
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1	REAL300028656367	1	45	-2.0	-117.75	378.06	4.13	-113.62
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1	REAL300028656386	1	45	-2.0	-108.14	370.27	5.47	-102.67
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1	REAL300028656395	1	45	-2.0	-108.80	371.38	5.41	-103.39
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300028656454	1	41	-2.0	-112.36	344.89	2.90	-109.46
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300028656494	0	38	-2.0	-120.06	340.75	0.86	-119.20
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300028656532	1	38	-2.0	-111.36	336.92	2.95	-108.41
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(SC)[N-]C2=O)C1	REAL300028656563	1	41	-2.0	-108.13	365.78	0.16	-107.97
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300028656573	0	39	-2.0	-90.92	331.03	-2.77	-93.69
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)N(CC)[N-]2)C1	REAL300028656671	0	42	-2.0	-95.71	355.33	1.21	-94.50
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CNC(=O)C2=NC=CC=C2[O-])C1	REAL300028656683	1	45	-2.0	-125.22	379.53	1.47	-123.75
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300028656697	0	39	-2.0	-94.86	333.52	0.28	-94.58
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1	REAL300028656711	1	42	-2.0	-141.68	354.90	1.21	-140.47
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300028656716	0	39	-2.0	-112.30	345.50	-0.62	-112.92
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(C)NC(=O)[N-]C2=S)C1	REAL300028656718	1	41	-2.0	-95.96	362.95	-0.37	-96.33
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(C)N=C(C3CC3)[N-]C2=O)C1	REAL300028656729	1	47	-2.0	-138.26	389.63	3.75	-134.51
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1	REAL300028656796	1	44	-2.0	-98.41	372.69	2.23	-96.18
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300028656924	1	39	-2.0	-121.89	329.19	0.17	-121.72
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300028656931	1	39	-2.0	-94.88	331.78	1.67	-93.21
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300028657005	0	39	-2.0	-114.60	335.50	2.81	-111.79
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300028657011	0	38	-2.0	-130.23	332.51	3.39	-126.84
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=C(C)[N-]N(C)C2=O)C1	REAL300028657036	0	45	-2.0	-98.38	375.94	1.56	-96.82
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC(=O)C2=CC=C([O-])C=C2)C1	REAL300028657048	1	47	-2.0	-108.75	391.62	4.40	-104.35
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC=C(C)C=C2[O-])C1	REAL300028657092	1	41	-2.0	-131.75	340.36	3.77	-127.98
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1	REAL300028657111	0	40	-2.0	-110.60	351.89	2.22	-108.38
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([O-])=CS2)C1	REAL300028657137	0	36	-2.0	-99.68	318.01	0.68	-99.00
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300028657165	0	39	-2.0	-128.65	328.73	3.22	-125.43
CCN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1	REAL300028657173	0	39	-2.0	-95.69	347.67	3.75	-91.94
CCN(C(=O)C1=CN([O-])C(=O)NC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028657231	0	39	-2.0	-112.44	337.60	0.46	-111.98
CCN(C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028657271	1	40	-2.0	-114.09	350.96	1.31	-112.78
O=C(C1=COC(=O)[N-]1)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658119	1	45	-2.0	-87.71	349.10	0.44	-87.27
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658201	1	49	-2.0	-95.88	377.99	0.88	-95.00
CN1N=C(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)[N-]C1=O	REAL300028658211	0	48	-2.0	-93.47	371.59	0.62	-92.85
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CCN(C(=O)C1=C[N-]N=CC1=O)CC2	REAL300028658244	0	47	-2.0	-80.44	356.93	1.93	-78.51
O=C(C1=CC(=O)N[N-]1)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658280	0	46	-2.0	-85.85	353.84	0.36	-85.49
C[PH](C)([O-])C(=O)C(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028658284	0	51	-2.0	-85.87	393.24	1.36	-84.51
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CCN(C(=O)C1=NC(=O)N[N-]1)CC2	REAL300028658474	0	45	-2.0	-86.71	348.82	-0.15	-86.86
CN1[N-]C(C(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=CC1=O	REAL300028658573	0	49	-2.0	-89.23	376.51	2.10	-87.13
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CCN(C(=O)C1=NC=CC=C1[O-])CC2	REAL300028658940	1	48	-2.0	-99.82	366.23	4.08	-95.74
O=C(C1=COC(=O)[N-]1)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659500	1	45	-2.0	-87.71	349.10	0.44	-87.27
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CCN(C(=O)C1=C[N-]N=CC1=O)CC2	REAL300028659582	0	47	-2.0	-80.44	356.93	1.93	-78.51
O=C(C1=CC(=O)N[N-]1)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659655	0	46	-2.0	-85.85	353.84	0.36	-85.49
C[PH](C)([O-])C(=O)C(=O)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028659659	0	51	-2.0	-85.87	393.24	1.36	-84.51
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CCN(C(=O)C1=NC(=O)N[N-]1)CC2	REAL300028659693	0	45	-2.0	-86.71	348.82	-0.15	-86.86
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CCN(C(=O)C1=CN=CC([O-])=C1)CC2	REAL300028659824	1	48	-2.0	-92.12	366.97	1.50	-90.62
CN1N=C(C(=O)N2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)[N-]C1=O	REAL300028659952	0	48	-2.0	-93.47	371.59	0.62	-92.85
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CCN(C(=O)C1=CC=NC=C1[O-])CC2	REAL300028660111	0	48	-2.0	-100.07	365.03	2.78	-97.29
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028660114	0	45	-2.0	-90.97	348.66	0.35	-90.62
CN1[N-]C(C(=O)N2CCC3(CC2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=CC1=O	REAL300028660209	0	49	-2.0	-89.23	376.51	2.10	-87.13
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CC1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028660263	1	49	-2.0	-95.88	377.99	0.88	-95.00
O=C(C1=CC(=O)[N-]O1)N1CCC2(CC1)CCN(C(=O)C1=CC([O-])=CS1)CC2	REAL300028660311	0	46	-2.0	-96.54	363.43	2.27	-94.27
CCN(CC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661150	0	46	-2.0	-91.94	374.84	-1.06	-93.00
CCN(CC1CCN(C(=O)CN2C(=O)[N-]NC2=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661203	0	48	-2.0	-99.64	391.60	0.38	-99.26
CCN(CC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661604	0	48	-2.0	-111.29	386.19	4.47	-106.82
CCN(CC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661686	0	48	-2.0	-97.82	386.61	-0.44	-98.26
CCN(CC1CCN(C(=O)C2=COC(=O)[N-]2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661697	1	44	-2.0	-90.10	358.27	1.22	-88.88
CCN(CC1CCN(C(=O)C2=CC(=O)N(CC)[N-]2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661818	0	51	-2.0	-90.32	407.56	3.75	-86.57
CCN(CC1CCN(C(=O)CC2=CC(=O)N[N-]2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661825	1	48	-2.0	-99.62	386.59	1.46	-98.16
CCN(CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661848	0	47	-2.0	-93.99	380.78	1.31	-92.68
CCN(CC1CCN(C(=O)C2=C[N-]N=CC2=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661907	0	46	-2.0	-93.66	368.68	2.44	-91.22
CCN(CC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661977	0	45	-2.0	-96.85	360.79	1.06	-95.79
CCN(CC1CCN(C(=O)C(=O)[PH](C)(C)[O-])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028661982	0	50	-2.0	-94.01	395.70	2.05	-91.96
CCN(CC1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662006	0	48	-2.0	-116.74	385.61	4.43	-112.31
CCN(CC1CCN(C(=O)C2=NC(=O)C(C)S2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662027	0	47	-2.0	-92.15	389.83	1.90	-90.25
CCN(CC1CCN(C(=O)C2=NC([O-])=C(C)S2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662027	1	47	-2.0	-92.15	389.83	1.90	-90.25
CCN(CC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662044	0	48	-2.0	-109.99	388.07	4.50	-105.49
CCN(CC1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662069	0	48	-2.0	-120.87	383.74	5.35	-115.52
CCN(CC1CCN(C(=O)CC2=NC([O-])=CS2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662184	0	47	-2.0	-104.82	392.96	0.82	-104.00
CCN(CC1CCN(C(=O)C2=N[N-]C(C)=CC2=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662342	0	49	-2.0	-92.38	393.17	4.61	-87.77
CCN(CC1CCN(C(=O)C2=NC(=O)N[N-]2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662352	0	44	-2.0	-86.00	357.79	0.49	-85.51
CCN(CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662538	0	48	-2.0	-89.50	385.83	2.82	-86.68
CCN(CC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662635	0	46	-2.0	-87.83	376.78	-1.39	-89.22
CCN(CC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028662635	1	46	-2.0	-84.13	379.12	-1.21	-85.34
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NC=CC=C1[O-]	REAL300028662987	1	47	-2.0	-106.52	373.41	5.02	-101.50
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300028663086	0	46	-2.0	-108.97	373.51	-1.05	-110.02
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CN1C(=O)[N-]NC1=O	REAL300028663181	0	48	-2.0	-100.79	391.68	0.37	-100.42
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300028664038	1	49	-2.0	-92.87	399.08	4.12	-88.75
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=COC(=O)[N-]1	REAL300028664106	1	44	-2.0	-87.75	357.32	1.72	-86.03
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC=C([O-])C=C1F	REAL300028664176	1	48	-2.0	-103.98	382.97	3.79	-100.19
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC([O-])=CC(=O)O1	REAL300028664180	0	47	-2.0	-99.55	382.16	3.26	-96.29
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300028664183	1	49	-2.0	-93.13	398.39	4.18	-88.95
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NC(C)=CC=C1[O-]	REAL300028664236	1	50	-2.0	-107.57	395.04	5.58	-101.99
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=C[N-]N=CC1=O	REAL300028664247	0	46	-2.0	-85.56	378.13	2.57	-82.99
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC=CC(F)=C1[O-]	REAL300028664254	0	48	-2.0	-100.39	392.92	4.25	-96.14
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC=CC([O-])=C1F	REAL300028664319	1	48	-2.0	-97.97	393.18	4.17	-93.80
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC(=O)N[N-]1	REAL300028664391	0	45	-2.0	-100.08	362.36	1.08	-99.00
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300028664396	0	50	-2.0	-90.46	394.32	2.66	-87.80
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300028664450	0	48	-2.0	-117.61	384.21	4.31	-113.30
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NC(=O)N[N-]1	REAL300028664467	0	44	-2.0	-96.40	357.26	0.67	-95.73
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC=CN([O-])C1=O	REAL300028664472	0	48	-2.0	-115.24	393.87	4.65	-110.59
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC(F)=CC=C1O	REAL300028664585	0	48	-2.0	-101.07	386.70	4.20	-96.87
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC(F)=CC=C1[O-]	REAL300028664585	1	48	-2.0	-101.07	386.70	4.20	-96.87
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NC=CC(C)=C1O	REAL300028664628	0	50	-2.0	-116.39	394.16	5.63	-110.76
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NC=CC(C)=C1[O-]	REAL300028664628	1	50	-2.0	-116.39	394.16	5.63	-110.76
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CN=CC(O)=C1	REAL300028664688	0	47	-2.0	-88.99	374.48	2.09	-86.90
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CN=CC([O-])=C1	REAL300028664688	1	47	-2.0	-88.99	374.48	2.09	-86.90
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1=NC([O-])=CS1	REAL300028664784	0	47	-2.0	-106.90	392.40	0.59	-106.31
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=N[N-]C(C)=CC1=O	REAL300028664893	0	49	-2.0	-96.55	390.75	4.92	-91.63
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300028664908	0	48	-2.0	-115.81	393.43	4.40	-111.41
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300028664927	0	48	-2.0	-95.02	403.58	2.36	-92.66
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300028664955	0	47	-2.0	-108.78	379.97	1.22	-107.56
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC=C(C#N)C=C1[O-]	REAL300028664988	0	49	-2.0	-116.06	397.10	5.41	-110.65
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300028664994	0	49	-2.0	-97.82	401.13	4.57	-93.25
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC=C(F)C([O-])=C1	REAL300028665086	1	48	-2.0	-97.17	384.45	3.80	-93.37
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300028665138	0	46	-2.0	-87.17	374.37	0.22	-86.95
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300028665138	1	46	-2.0	-87.17	374.37	0.22	-86.95
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CN=C(N)NC1=O	REAL300028665174	0	48	-2.0	-99.71	392.02	1.16	-98.55
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CN=C(N)[N-]C1=O	REAL300028665174	1	48	-2.0	-99.71	392.02	1.16	-98.55
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028665265	0	44	-2.0	-90.78	357.96	1.10	-89.68
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NC(=O)C(C)S1	REAL300028665282	0	47	-2.0	-93.20	388.46	2.33	-90.87
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NC([O-])=C(C)S1	REAL300028665282	1	47	-2.0	-93.20	388.46	2.33	-90.87
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC(=O)N(CC)[N-]1	REAL300028665426	0	51	-2.0	-104.34	406.87	3.71	-100.63
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300028665442	0	48	-2.0	-103.26	385.14	2.78	-100.48
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1=CC(=O)NN1	REAL300028665528	0	48	-2.0	-102.52	386.67	1.46	-101.06
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1=CC(=O)N[N-]1	REAL300028665528	1	48	-2.0	-102.52	386.67	1.46	-101.06
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC=C(O)C(F)=C1	REAL300028665532	0	48	-2.0	-101.03	384.41	3.83	-97.20
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300028665532	1	48	-2.0	-101.03	384.41	3.83	-97.20
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NC=C(C)C=C1O	REAL300028665595	0	50	-2.0	-118.71	395.28	5.58	-113.13
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NC=C(C)C=C1[O-]	REAL300028665595	1	50	-2.0	-118.71	395.28	5.58	-113.13
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC([O-])=CS1	REAL300028665608	0	45	-2.0	-100.87	368.08	2.56	-98.31
CCN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300028665620	0	48	-2.0	-104.49	380.65	4.11	-100.38
O=C(NC[C@@H]1CCCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028666130	1	47	-2.0	-101.86	384.76	1.73	-100.13
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028666721	0	48	-2.0	-100.16	396.56	-1.07	-101.23
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028666912	0	46	-2.0	-95.93	384.25	-3.80	-99.73
CC(=O)[N-]C1=NC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300028666913	1	44	-2.0	-92.26	374.54	1.13	-91.13
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667059	1	47	-2.0	-99.28	390.39	0.36	-98.92
COC1=C(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300028667161	1	45	-2.0	-103.93	370.88	-1.85	-105.78
O=C(NC[C@@H]1CCCCN1C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028667270	0	40	-2.0	-107.71	336.20	-3.10	-110.81
O=C(CN1C(=O)[N-]NC1=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028667373	0	42	-2.0	-108.98	353.39	-1.36	-110.34
O=C(NC[C@@H]1CCCCN1C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300028668163	0	42	-2.0	-115.82	349.21	2.78	-113.04
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300028668318	0	42	-2.0	-97.07	349.34	-2.14	-99.21
O=C(NC[C@@H]1CCCCN1C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300028668330	1	38	-2.0	-94.31	319.10	-0.61	-94.92
CCN1[N-]C(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028668543	0	45	-2.0	-104.70	368.69	1.97	-102.73
O=C(CC1=CC(=O)N[N-]1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668551	1	42	-2.0	-104.59	349.03	-1.24	-105.83
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC=CC(=S)N1[O-])C1=CC(=O)[N-]O1	REAL300028668572	0	42	-2.0	-110.16	358.28	3.70	-106.46
O=C(CC1SC(=O)[N-]C1=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668586	0	42	-2.0	-98.04	361.70	-1.78	-99.82
CN1N=C(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300028668602	0	41	-2.0	-108.71	341.63	-0.47	-109.18
O=C(NC[C@@H]1CCCCN1C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300028668716	0	40	-2.0	-92.32	331.94	0.79	-91.53
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC=C2N=NN([O-])C2=C1)C1=CC(=O)[N-]O1	REAL300028668753	0	44	-2.0	-114.06	365.78	1.26	-112.80
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300028668842	0	39	-2.0	-100.25	324.18	-0.66	-100.91
C[PH](C)([O-])C(=O)C(=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028668846	0	44	-2.0	-105.61	363.42	0.21	-105.40
CN1[N-]C(CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028668849	0	45	-2.0	-107.05	371.86	0.48	-106.57
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300028668889	0	42	-2.0	-111.17	348.83	2.80	-108.37
CSC1=NC=C(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028668908	1	44	-2.0	-100.47	375.03	0.60	-99.87
CC1=C([O-])N=C(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300028668929	1	41	-2.0	-97.68	351.04	0.11	-97.57
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=CC(=O)[N-]O1	REAL300028668948	1	41	-2.0	-96.67	356.02	2.73	-93.94
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300028668966	0	42	-2.0	-115.34	349.56	2.74	-112.60
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300028669021	0	42	-2.0	-108.33	347.18	3.06	-105.27
O=C(C[N-]C(=O)C(F)(F)F)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669176	0	41	-2.0	-92.24	358.93	-2.01	-94.25
NC1=NC([O-])=C(CC(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300028669177	0	43	-2.0	-114.85	369.58	-2.85	-117.70
O=C(CC1=NC([O-])=CS1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669234	0	41	-2.0	-116.45	354.85	-1.95	-118.40
CCC1=NC=C(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028669255	1	46	-2.0	-99.69	373.46	1.06	-98.63
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669268	0	43	-2.0	-106.65	364.83	-3.43	-110.08
O=C(NC[C@@H]1CCCCN1C(=O)C1=C(Cl)C(=O)[N-]S1)C1=CC(=O)[N-]O1	REAL300028669341	0	38	-2.0	-100.38	343.90	0.02	-100.36
COCC1=NC=C(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300028669437	0	47	-2.0	-100.62	386.40	-0.70	-101.32
COCC1=NC=C(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028669437	1	47	-2.0	-100.62	386.40	-0.70	-101.32
CC1=CC(=O)C(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300028669532	0	43	-2.0	-104.72	353.35	2.78	-101.94
O=C(NC[C@@H]1CCCCN1C(=O)C1=NNC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300028669548	0	38	-2.0	-105.26	318.88	-2.13	-107.39
O=C(NC[C@@H]1CCCCN1C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300028669565	0	43	-2.0	-95.36	362.56	1.71	-93.65
O=C(NC[C@@H]1CCCCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300028669565	1	43	-2.0	-95.36	362.56	1.71	-93.65
O=C(NC[C@@H]1CCCCN1C(=O)C1=CN=C(C=N[O-])S1)C1=CC(=O)[N-]O1	REAL300028669689	0	41	-2.0	-110.00	359.81	-0.07	-110.07
CN1[N-]C(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028669910	0	42	-2.0	-103.45	346.88	1.04	-102.41
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028669921	0	42	-2.0	-95.04	365.33	-1.99	-97.03
O=C(NC[C@@H]1CCCCN1C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300028670114	0	40	-2.0	-97.30	337.57	-3.12	-100.42
O=C(NC[C@@H]1CCCCN1C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300028670114	1	40	-2.0	-94.35	338.43	-2.40	-96.75
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028670180	0	44	-2.0	-94.81	375.24	-5.85	-100.66
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028670180	1	44	-2.0	-91.60	375.18	-5.78	-97.38
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300028670315	0	44	-2.0	-101.92	370.12	-1.33	-103.25
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=NC=CC=C1[O-]	REAL300028670570	1	41	-2.0	-115.16	336.24	2.35	-112.81
O=C(CCN1C=C[N-]C(=O)C1=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028670695	1	47	-2.0	-113.16	386.01	1.10	-112.06
CC(=O)[N-]C1=NC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300028670709	1	44	-2.0	-100.89	374.34	0.46	-100.43
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300028670744	0	40	-2.0	-103.57	335.71	-3.18	-106.75
COC1=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300028670801	1	45	-2.0	-102.83	369.83	-1.81	-104.64
O=C(CN1C(=O)[N-]NC1=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028670988	0	42	-2.0	-103.66	349.82	-1.49	-105.15
O=C(CCCN1C(=O)[N-]NC1=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028672089	0	48	-2.0	-102.09	392.35	-0.32	-102.41
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C2CC2)[N-]C1=O	REAL300028672322	1	47	-2.0	-108.52	380.17	1.95	-106.57
O=C(CCC1=NNC(=O)[N-]C1=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673276	0	46	-2.0	-98.17	380.03	-3.04	-101.21
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300028673286	0	44	-2.0	-100.12	367.36	4.23	-95.89
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(Cl)=CC=C1[O-]	REAL300028673300	1	42	-2.0	-109.35	355.87	4.57	-104.78
N#CC1=CC([O-])=CC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300028673334	1	43	-2.0	-99.51	362.17	2.79	-96.72
NC1=CC=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C([O-])=C1Cl	REAL300028673366	0	44	-2.0	-113.85	367.67	2.53	-111.32
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300028673432	0	44	-2.0	-114.66	365.03	5.31	-109.35
CCC1=NC=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028673466	1	46	-2.0	-104.86	369.10	1.32	-103.54
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300028673491	1	38	-2.0	-103.73	319.53	-2.10	-105.83
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC([O-])=C1[N+](=O)[O-]	REAL300028673579	0	44	-2.0	-112.01	368.40	4.26	-107.75
O=C(C[N-]C(=O)C(F)(F)F)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673597	0	41	-2.0	-99.96	354.50	-1.22	-101.18
NC1=NC([O-])=C(CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300028673598	0	43	-2.0	-128.87	365.49	-2.09	-130.96
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=C(F)C=C([O-])C=C1F	REAL300028673609	0	42	-2.0	-99.15	357.62	2.37	-96.78
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=C([O-])C=C1F	REAL300028673633	1	42	-2.0	-102.12	345.66	2.51	-99.61
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC([O-])=CC(=O)O1	REAL300028673642	0	41	-2.0	-100.57	344.51	1.65	-98.92
N#CC1=CC=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300028673653	1	43	-2.0	-102.20	361.56	2.85	-99.35
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(Cl)=NC=C1[O-]	REAL300028673659	0	41	-2.0	-104.63	351.30	2.63	-102.00
N#CC1=CC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)=C(N)[N-]C1=O	REAL300028673666	0	44	-2.0	-99.15	364.88	-0.27	-99.42
O=C(CN1N=CC(=O)[N-]C1=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673685	0	43	-2.0	-113.27	360.19	-2.63	-115.90
O=C(CCC1=NC(=O)[N-]N1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028673782	1	44	-2.0	-107.65	360.30	-1.44	-109.09
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300028673806	0	40	-2.0	-97.34	328.58	1.05	-96.29
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(F)=C1[O-]	REAL300028673820	0	42	-2.0	-116.45	345.24	4.12	-112.33
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC([O-])=C1F	REAL300028673955	1	42	-2.0	-111.48	345.56	2.49	-108.99
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300028674042	0	44	-2.0	-102.79	367.39	4.21	-98.58
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300028674112	0	39	-2.0	-101.78	324.19	-1.11	-102.89
C[PH](C)([O-])C(=O)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674120	0	44	-2.0	-99.77	362.92	0.19	-99.58
O=C(C=C([O-])C1=CC=CC=N1)C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028674149	0	47	-2.0	-120.75	392.19	3.86	-116.89
COCC1=NC=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300028674190	0	47	-2.0	-105.72	382.03	-0.44	-106.16
COCC1=NC=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028674190	1	47	-2.0	-105.72	382.03	-0.44	-106.16
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300028674253	0	42	-2.0	-111.90	347.20	2.96	-108.94
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(F)=C(F)C([O-])=C1F	REAL300028674287	0	42	-2.0	-103.94	357.99	2.63	-101.31
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300028674289	0	38	-2.0	-103.76	318.75	-2.38	-106.14
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=C(O)C=CC=C1Cl	REAL300028674295	0	42	-2.0	-120.38	360.64	2.75	-117.63
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=C([O-])C=CC=C1Cl	REAL300028674295	1	42	-2.0	-120.38	360.64	2.75	-117.63
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300028674304	0	42	-2.0	-115.39	344.16	3.00	-112.39
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=C(F)C=CC(O)=C1F	REAL300028674345	0	42	-2.0	-100.96	357.29	2.37	-98.59
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=C(F)C=CC([O-])=C1F	REAL300028674345	1	42	-2.0	-100.96	357.29	2.37	-98.59
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(F)=CC=C1O	REAL300028674557	0	42	-2.0	-109.02	345.56	4.11	-104.91
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(F)=CC=C1[O-]	REAL300028674557	1	42	-2.0	-109.02	345.56	4.11	-104.91
CC1=CC=NC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)=C1O	REAL300028674653	0	44	-2.0	-114.84	356.71	3.03	-111.81
CC1=CC=NC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300028674653	1	44	-2.0	-114.84	356.71	3.03	-111.81
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300028674719	0	42	-2.0	-110.59	361.51	4.61	-105.98
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN=CC([O-])=C1	REAL300028674848	1	41	-2.0	-104.01	336.20	0.62	-103.39
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=S)N1[O-]	REAL300028674861	0	42	-2.0	-129.71	355.24	4.95	-124.76
NC1=CC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)=CC([O-])=C1Cl	REAL300028675031	1	44	-2.0	-106.26	370.02	0.91	-105.35
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=C([O-])C(Cl)=N1	REAL300028675036	0	41	-2.0	-98.99	354.56	1.19	-97.80
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=C([O-])C=C1Cl	REAL300028675106	1	42	-2.0	-100.95	353.63	2.95	-98.00
N#CC1=CC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)=C([O-])C=C1N	REAL300028675109	0	45	-2.0	-107.84	372.86	2.34	-105.50
O=C(CC1=NC([O-])=CS1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675122	0	41	-2.0	-121.63	350.89	-1.35	-122.98
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=C([O-])C=CC=C1F	REAL300028675147	1	42	-2.0	-120.84	351.15	2.39	-118.45
O=C(CN1[N-]C(=O)C=CC1=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675150	0	44	-2.0	-105.74	365.96	-0.54	-106.28
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=C(F)C=C1[O-]	REAL300028675153	0	42	-2.0	-110.71	345.38	4.11	-106.60
CC1=CC=C(F)C([O-])=C1C(=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675203	0	45	-2.0	-130.42	370.37	2.94	-127.48
O=C(CC1SC(=O)[N-]C1=O)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675300	0	42	-2.0	-98.22	358.62	-1.96	-100.18
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=C([O-])C(F)=C1F	REAL300028675333	0	42	-2.0	-101.91	351.91	2.58	-99.33
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300028675336	1	43	-2.0	-96.52	360.48	1.15	-95.37
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(Cl)=C1[O-]	REAL300028675342	0	42	-2.0	-111.76	355.04	4.58	-107.18
CC1=CC(=O)C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300028675380	0	43	-2.0	-108.06	352.87	2.70	-105.36
O=C(C=C([O-])C1=CC=C(O)C=C1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675386	0	47	-2.0	-117.87	382.93	2.56	-115.31
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300028675420	0	42	-2.0	-129.04	344.13	3.90	-125.14
N#CC1=CC=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028675467	0	42	-2.0	-100.51	353.89	0.84	-99.67
O=C(COC1=NC(=O)[N-]C(=O)N1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675468	0	44	-2.0	-101.12	371.04	-4.93	-106.05
O=C(COC1=NC(=O)NC(=O)[N-]1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028675468	1	44	-2.0	-96.36	370.98	-4.87	-101.23
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300028675499	0	44	-2.0	-101.75	365.45	4.09	-97.66
CN1N=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300028675544	0	41	-2.0	-106.78	341.74	-0.91	-107.69
[N-]=[N+]=NC1=CC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)=CC=C1[O-]	REAL300028675585	0	44	-2.0	-99.14	368.90	0.28	-98.86
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=C(F)C=CC(O)=C1O	REAL300028675628	0	43	-2.0	-107.37	361.66	0.45	-106.92
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=C(F)C=CC(O)=C1[O-]	REAL300028675628	1	43	-2.0	-107.37	361.66	0.45	-106.92
N#CC1=CC=C([O-])C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)=C1	REAL300028675641	0	43	-2.0	-105.72	359.97	4.47	-101.25
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)NC1=O	REAL300028675781	0	42	-2.0	-99.95	349.85	0.61	-99.34
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300028675821	0	42	-2.0	-104.54	361.70	4.62	-99.92
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=C(F)C([O-])=C1	REAL300028675856	1	42	-2.0	-107.14	347.63	2.47	-104.67
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300028675865	1	47	-2.0	-123.84	379.92	4.53	-119.31
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300028675869	0	44	-2.0	-106.01	367.14	4.71	-101.30
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300028675872	0	44	-2.0	-103.44	367.19	4.72	-98.72
O=C([N-]C[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300028675874	1	37	-2.0	-99.03	326.06	1.27	-97.76
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=C(Cl)C=C1[O-]	REAL300028675886	1	42	-2.0	-111.00	355.70	4.57	-106.43
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300028675908	0	44	-2.0	-97.97	369.51	3.06	-94.91
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300028675995	0	40	-2.0	-99.20	337.88	-3.40	-102.60
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300028675995	1	40	-2.0	-99.20	337.88	-3.40	-102.60
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=C2N=NN([O-])C2=C1	REAL300028676031	0	44	-2.0	-106.01	363.52	1.46	-104.55
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=C(O)C2=CC=CC=C2C=N1	REAL300028676074	0	47	-2.0	-121.23	381.63	4.67	-116.56
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300028676074	1	47	-2.0	-121.23	381.63	4.67	-116.56
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=C(Cl)C(=O)[N-]S1	REAL300028676075	0	38	-2.0	-100.19	341.72	0.20	-99.99
NC1=NC=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300028676100	0	42	-2.0	-106.86	342.38	-0.30	-107.16
NC1=NC=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028676100	1	42	-2.0	-106.86	342.38	-0.30	-107.16
CC1=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300028676134	0	45	-2.0	-100.34	374.27	1.57	-98.77
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300028676220	0	42	-2.0	-99.25	363.50	3.05	-96.20
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300028676226	0	43	-2.0	-98.40	361.38	1.91	-96.49
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300028676226	1	43	-2.0	-98.40	361.38	1.91	-96.49
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=C2N[N-]N=C2C1=O	REAL300028676235	0	44	-2.0	-110.39	359.67	2.38	-108.01
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=NC=CC(Cl)=C1[O-]	REAL300028676248	0	41	-2.0	-109.70	352.58	2.85	-106.85
O=C(CC1=CC=C(O)C(Cl)=C1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676254	0	45	-2.0	-104.03	382.04	3.65	-100.38
O=C(CC1=CC=C([O-])C(Cl)=C1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676254	1	45	-2.0	-104.03	382.04	3.65	-100.38
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=NC=C1O	REAL300028676306	0	41	-2.0	-110.87	334.26	2.22	-108.65
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=NC=C1[O-]	REAL300028676306	1	41	-2.0	-110.87	334.26	2.22	-108.65
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300028676316	0	38	-2.0	-103.98	319.07	-0.61	-104.59
CC1SC(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300028676355	0	41	-2.0	-110.85	350.97	-0.99	-111.84
CC1=C([O-])N=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300028676355	1	41	-2.0	-110.85	350.97	-0.99	-111.84
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=C(O)C2=CC=CC=C2C=C1	REAL300028676430	0	48	-2.0	-119.56	383.95	6.38	-113.18
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300028676430	1	48	-2.0	-119.56	383.95	6.38	-113.18
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC2=CC=CC=C2C=C1O	REAL300028676438	0	48	-2.0	-120.29	385.05	6.33	-113.96
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300028676438	1	48	-2.0	-120.29	385.05	6.33	-113.96
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C(O)C=C1	REAL300028676490	0	44	-2.0	-100.37	361.33	2.22	-98.15
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C([O-])C=C1	REAL300028676490	1	44	-2.0	-100.37	361.33	2.22	-98.15
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C=N[O-])S1	REAL300028676528	0	41	-2.0	-106.03	359.80	0.48	-105.55
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)N1	REAL300028676564	0	41	-2.0	-97.21	354.57	2.18	-95.03
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)[N-]1	REAL300028676564	1	41	-2.0	-97.21	354.57	2.18	-95.03
CSC1=NC=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300028676590	0	44	-2.0	-105.57	370.33	0.83	-104.74
CSC1=NC=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028676590	1	44	-2.0	-105.57	370.33	0.83	-104.74
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300028676599	0	42	-2.0	-98.53	347.46	-1.94	-100.47
CCN1[N-]C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028676684	0	45	-2.0	-105.63	368.74	1.54	-104.09
CN1[N-]C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028676707	0	42	-2.0	-104.55	347.01	0.61	-103.94
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC2=C1C(=O)NC2=O	REAL300028676721	0	45	-2.0	-110.91	369.95	1.02	-109.89
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300028676721	1	45	-2.0	-110.91	369.95	1.02	-109.89
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676725	0	42	-2.0	-99.48	361.13	-1.26	-100.74
CC1=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C(=S)NC(=O)N1	REAL300028676727	0	44	-2.0	-130.72	373.43	0.23	-130.49
CC1=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300028676727	1	44	-2.0	-130.72	373.43	0.23	-130.49
O=C(CC1=CC(=O)N[N-]1)NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300028676913	1	42	-2.0	-105.42	344.82	-0.46	-105.88
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=C([O-])C(F)=C1	REAL300028676920	1	42	-2.0	-102.60	347.59	2.51	-100.09
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(F)=C([O-])C(F)=C1	REAL300028676985	0	42	-2.0	-101.95	353.73	2.57	-99.38
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=NC(Cl)=C1[O-]	REAL300028676991	0	41	-2.0	-107.35	350.61	2.66	-104.69
CC1=C(CC(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300028677012	0	48	-2.0	-103.51	387.84	1.94	-101.57
CC1=CN=C(C(=O)NC[C@@H]2CCCCN2C(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300028677063	1	44	-2.0	-117.12	357.69	2.99	-114.13
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=C(O)C=CC(Cl)=C1[O-]	REAL300028677079	0	43	-2.0	-119.74	371.61	0.09	-119.65
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC([O-])=CS1	REAL300028677101	0	39	-2.0	-106.30	333.65	1.36	-104.94
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300028677125	0	42	-2.0	-110.36	346.96	2.97	-107.39
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(F)=CC(Cl)=C1[O-]	REAL300028677131	0	42	-2.0	-105.61	361.41	4.63	-100.98
O=C(NC[C@@H]1CCCCN1C(=O)C1=CN([O-])C(=O)NC1=O)C1=CC(=O)[N-]O1	REAL300028677180	0	42	-2.0	-99.21	353.58	0.24	-98.97
O=C(NC[C@@H]1CCCCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028677210	1	43	-2.0	-91.15	365.11	0.84	-90.31
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C2CC2)[N-]C1=O	REAL300028677745	1	45	-2.0	-112.92	377.44	1.97	-110.95
O=C(CCCN1C(=O)[N-]NC1=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678511	0	46	-2.0	-98.76	392.00	-0.64	-99.40
O=C(CCC1=NNC(=O)[N-]C1=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678770	0	44	-2.0	-97.85	379.70	-3.37	-101.22
CC(=O)[N-]C1=NC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300028678771	1	42	-2.0	-103.17	372.91	0.29	-102.88
O=C(CCN1C=C[N-]C(=O)C1=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028678961	1	45	-2.0	-100.29	385.44	0.77	-99.52
COC1=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300028679097	1	43	-2.0	-105.59	366.78	-1.93	-107.52
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300028679238	0	38	-2.0	-103.09	333.19	-3.22	-106.31
O=C(CN1C(=O)[N-]NC1=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028679371	0	40	-2.0	-102.59	349.47	-1.84	-104.43
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300028680392	0	40	-2.0	-109.69	344.40	2.93	-106.76
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300028680583	0	40	-2.0	-101.95	344.87	-1.98	-103.93
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300028680597	1	36	-2.0	-106.11	318.97	-2.42	-108.53
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C2CCC2)[N-]C1=O	REAL300028680654	1	48	-2.0	-113.20	393.20	2.52	-110.68
O=C([N-]CC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300028680733	1	35	-2.0	-99.66	325.96	1.04	-98.62
CCN1[N-]C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028680860	0	43	-2.0	-106.00	367.31	1.37	-104.63
O=C(CC1=CC(=O)N[N-]1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680869	1	40	-2.0	-102.65	342.30	-0.53	-103.18
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=S)N1[O-]	REAL300028680894	0	40	-2.0	-122.99	354.03	4.85	-118.14
O=C(CC1SC(=O)[N-]C1=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028680912	0	40	-2.0	-98.52	355.42	-2.02	-100.54
CN1N=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300028680931	0	39	-2.0	-108.44	338.96	-0.94	-109.38
CC1=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C(=O)NC(C2CC2)=N1	REAL300028681050	0	48	-2.0	-114.92	394.44	2.63	-112.29
CC1=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C2CC2)=N1	REAL300028681050	1	48	-2.0	-114.92	394.44	2.63	-112.29
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300028681065	0	38	-2.0	-101.40	325.62	1.00	-100.40
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=C2N=NN([O-])C2=C1	REAL300028681107	0	42	-2.0	-104.14	360.96	1.43	-102.71
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300028681220	0	37	-2.0	-102.60	322.77	-1.28	-103.88
C[PH](C)([O-])C(=O)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681225	0	42	-2.0	-102.91	360.24	0.15	-102.76
O=C(CCC1=NC(=O)NN1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681267	0	42	-2.0	-110.48	357.56	-1.48	-111.96
O=C(CCC1=NC(=O)[N-]N1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681267	1	42	-2.0	-110.48	357.56	-1.48	-111.96
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300028681276	0	40	-2.0	-126.27	341.32	3.14	-123.13
CSC1=NC=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300028681297	0	42	-2.0	-112.29	367.62	0.89	-111.40
CSC1=NC=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028681297	1	42	-2.0	-112.29	367.62	0.89	-111.40
CC1SC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300028681323	0	39	-2.0	-117.05	348.18	-1.03	-118.08
CC1=C([O-])N=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)S1	REAL300028681323	1	39	-2.0	-117.05	348.18	-1.03	-118.08
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)N1	REAL300028681347	0	39	-2.0	-99.41	351.78	2.14	-97.27
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)[N-]1	REAL300028681347	1	39	-2.0	-99.41	351.78	2.14	-97.27
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300028681374	0	40	-2.0	-111.04	344.77	2.92	-108.12
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300028681441	0	40	-2.0	-123.20	342.92	3.81	-119.39
NC1=NC([O-])=C(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)S1	REAL300028681643	0	41	-2.0	-112.22	363.59	-2.15	-114.37
O=C(CC1=NC([O-])=CS1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028681711	0	39	-2.0	-107.16	348.78	-1.28	-108.44
CCC1=NC=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300028681740	0	44	-2.0	-109.96	367.91	1.25	-108.71
CCC1=NC=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028681740	1	44	-2.0	-109.96	367.91	1.25	-108.71
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=C(Cl)C(=O)[N-]S1	REAL300028681842	0	36	-2.0	-100.72	340.33	0.03	-100.69
COCC1=NC=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028681969	1	45	-2.0	-110.37	380.84	-0.50	-110.87
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(CC2CC2)[N-]C1=O	REAL300028681982	1	48	-2.0	-110.28	398.83	2.84	-107.44
CC1=CC(=O)C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300028682081	0	41	-2.0	-109.19	350.34	2.65	-106.54
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300028682104	0	36	-2.0	-106.31	317.36	-2.57	-108.88
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300028682133	1	41	-2.0	-101.46	358.81	1.86	-99.60
CC1=NC2=NC=C(C(=O)NCC34CC(C3)CN4C(=O)C3=CC(=O)[N-]O3)C(=O)N2[N-]1	REAL300028682163	0	44	-2.0	-108.92	373.48	4.13	-104.79
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C=N[O-])S1	REAL300028682284	0	39	-2.0	-107.40	358.14	0.31	-107.09
COC1=NC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300028682305	0	42	-2.0	-104.01	363.49	-3.27	-107.28
CN1[N-]C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028682549	0	40	-2.0	-105.08	345.59	0.44	-104.64
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300028682560	1	43	-2.0	-108.26	368.29	0.86	-107.40
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682564	0	40	-2.0	-99.68	360.78	-1.60	-101.28
CC1=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300028682565	1	42	-2.0	-126.43	373.08	0.06	-126.37
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300028682800	0	38	-2.0	-108.53	334.76	-4.21	-112.74
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300028682800	1	38	-2.0	-102.27	335.53	-3.45	-105.72
O=C(COC1=NC(=O)[N-]C(=O)N1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682886	0	42	-2.0	-102.33	368.54	-5.01	-107.34
O=C(COC1=NC(=O)NC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028682886	1	42	-2.0	-96.34	370.64	-5.23	-101.57
O=C(CN1[N-]C(=O)C=CC1=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300028683047	0	42	-2.0	-104.21	365.59	-0.85	-105.06
O=C(NCC12CC(C1)CN2C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300028683305	1	39	-2.0	-122.68	333.73	2.44	-120.24
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028683423	1	45	-2.0	-104.99	386.05	1.12	-103.87
CC(=O)[N-]C1=NC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=CS1	REAL300028683436	1	42	-2.0	-96.43	372.11	0.65	-95.78
O=C(NCC12CC(C1)CN2C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028683464	0	38	-2.0	-113.32	332.44	-3.21	-116.53
COC1=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)NC(=O)[N-]C1=O	REAL300028683517	1	43	-2.0	-106.21	365.07	-2.04	-108.25
O=C(CN1C(=O)[N-]NC1=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028683689	0	40	-2.0	-113.21	350.07	-1.50	-114.71
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028683741	0	44	-2.0	-119.55	383.75	1.32	-118.23
O=C(CCCN1C(=O)[N-]NC1=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028684673	0	46	-2.0	-112.60	391.67	-0.23	-112.83
O=C(NCC12CC(C1)CN2C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028684885	1	45	-2.0	-117.67	386.15	1.68	-115.99
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028685716	0	44	-2.0	-106.91	380.35	-3.08	-109.99
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300028685724	0	42	-2.0	-110.16	361.76	3.72	-106.44
O=C(NCC12CC(C1)CN2C(=O)C1=CC(Cl)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300028685740	1	40	-2.0	-119.36	355.17	3.63	-115.73
N#CC1=CC([O-])=CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028685774	1	41	-2.0	-95.06	357.79	2.13	-92.93
NC1=CC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1Cl	REAL300028685803	0	42	-2.0	-120.95	366.23	1.62	-119.33
O=C(NCC12CC(C1)CN2C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=CC(=O)[N-]O1	REAL300028685856	0	42	-2.0	-136.16	359.41	4.67	-131.49
CCC1=NC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300028685888	1	44	-2.0	-115.37	375.83	1.01	-114.36
O=C(NCC12CC(C1)CN2C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300028685911	1	36	-2.0	-98.47	316.60	-1.51	-99.98
O=C(C[N-]C(=O)C(F)(F)F)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686014	0	39	-2.0	-104.53	353.60	-1.16	-105.69
NC1=NC([O-])=C(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300028686015	0	41	-2.0	-119.46	365.92	-2.13	-121.59
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300028686042	1	40	-2.0	-105.08	344.61	2.12	-102.96
O=C(NCC12CC(C1)CN2C(=O)C1=CC([O-])=C2SC=CC2=C1)C1=CC(=O)[N-]O1	REAL300028686049	1	43	-2.0	-103.38	372.87	3.28	-100.10
O=C(NCC12CC(C1)CN2C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300028686052	0	39	-2.0	-102.25	341.55	1.51	-100.74
N#CC1=CC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C=C1[O-]	REAL300028686064	1	41	-2.0	-96.14	355.46	2.43	-93.71
O=C(NCC12CC(C1)CN2C(=O)C1=CC(Cl)=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300028686070	0	39	-2.0	-116.62	345.81	2.01	-114.61
N#CC1=CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=C(N)[N-]C1=O	REAL300028686073	0	42	-2.0	-97.52	373.39	-0.73	-98.25
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686089	0	41	-2.0	-123.59	360.55	-2.69	-126.28
CC1=CC=C([O-])C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028686182	1	42	-2.0	-124.91	354.45	3.06	-121.85
O=C(NCC12CC(C1)CN2C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300028686208	0	38	-2.0	-100.12	335.19	0.60	-99.52
O=C(NCC12CC(C1)CN2C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300028686219	0	40	-2.0	-125.09	343.11	3.35	-121.74
O=C(NCC12CC(C1)CN2C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300028686345	1	40	-2.0	-120.39	343.40	2.15	-118.24
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=CC(=O)[N-]O1	REAL300028686420	0	42	-2.0	-118.92	361.32	3.75	-115.17
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300028686485	0	37	-2.0	-104.13	322.27	-1.10	-105.23
C[PH](C)([O-])C(=O)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686492	0	42	-2.0	-109.75	353.80	0.27	-109.48
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028686520	0	45	-2.0	-117.48	389.47	3.75	-113.73
O=C(NCC12CC(C1)CN2C(=O)C1=CN=C(CC2CC2)NC1=O)C1=CC(=O)[N-]O1	REAL300028686541	0	48	-2.0	-116.11	405.98	2.69	-113.42
O=C(NCC12CC(C1)CN2C(=O)C1=CN=C(CC2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028686541	1	48	-2.0	-116.11	405.98	2.69	-113.42
COCC1=NC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300028686558	0	45	-2.0	-115.28	388.76	-0.75	-116.03
COCC1=NC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300028686558	1	45	-2.0	-115.28	388.76	-0.75	-116.03
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300028686612	0	40	-2.0	-122.96	341.31	2.50	-120.46
O=C(NCC12CC(C1)CN2C(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=CC(=O)[N-]O1	REAL300028686648	0	40	-2.0	-117.05	356.01	2.19	-114.86
O=C(NCC12CC(C1)CN2C(=O)C1=NNC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300028686650	0	36	-2.0	-109.37	316.56	-2.47	-111.84
O=C(NCC12CC(C1)CN2C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300028686662	0	40	-2.0	-132.81	351.05	2.79	-130.02
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC(=O)[N-]O1	REAL300028686876	0	40	-2.0	-101.27	351.28	2.59	-98.68
O=C(NCC12CC(C1)CN2C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300028686883	1	40	-2.0	-118.26	344.85	3.18	-115.08
CC1=CC=NC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1[O-]	REAL300028686971	1	42	-2.0	-123.40	353.32	3.15	-120.25
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300028687028	0	40	-2.0	-124.99	360.80	3.69	-121.30
O=C(NCC12CC(C1)CN2C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300028687144	1	39	-2.0	-99.11	330.98	0.14	-98.97
O=C(NCC12CC(C1)CN2C(=O)C1=CC=CC(=S)N1[O-])C1=CC(=O)[N-]O1	REAL300028687157	0	40	-2.0	-150.63	350.17	4.43	-146.20
O=C(NCC12CC(C1)CN2C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028687301	1	48	-2.0	-117.85	401.90	2.23	-115.62
NC1=CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=CC([O-])=C1Cl	REAL300028687315	1	42	-2.0	-98.61	365.65	0.25	-98.36
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C([O-])C(Cl)=N1)C1=CC(=O)[N-]O1	REAL300028687319	0	39	-2.0	-95.33	351.48	1.42	-93.91
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C([O-])C=C1Cl)C1=CC(=O)[N-]O1	REAL300028687387	1	40	-2.0	-102.91	353.19	2.56	-100.35
N#CC1=CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=C([O-])C=C1N	REAL300028687389	0	43	-2.0	-113.43	370.08	1.58	-111.85
O=C(CC1=NC([O-])=CS1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687400	0	39	-2.0	-137.04	349.88	-1.10	-138.14
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687423	0	42	-2.0	-112.02	366.32	-0.59	-112.61
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300028687426	0	40	-2.0	-117.52	344.37	3.24	-114.28
O=C(CC1SC(=O)[N-]C1=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687550	0	40	-2.0	-106.51	357.63	-1.94	-108.45
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C([O-])C(F)=C1F)C1=CC(=O)[N-]O1	REAL300028687577	0	40	-2.0	-106.78	350.42	2.09	-104.69
O=C(NCC12CC(C1)CN2C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028687581	1	41	-2.0	-103.50	367.59	0.73	-102.77
O=C(NCC12CC(C1)CN2C(=O)C1=CC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300028687586	0	40	-2.0	-119.04	352.91	3.82	-115.22
CC1=CC(=O)C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300028687619	0	41	-2.0	-111.76	349.63	2.67	-109.09
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687624	0	45	-2.0	-125.56	381.65	2.39	-123.17
CN1N=CC2=C1[N-]C=C(C(=O)N1CC3CC1(CNC(=O)C1=CC(=O)[N-]O1)C3)C2=O	REAL300028687628	0	45	-2.0	-109.64	389.29	2.57	-107.07
O=C(NCC12CC(C1)CN2C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300028687654	0	40	-2.0	-146.99	339.06	3.38	-143.61
N#CC1=CC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300028687691	0	40	-2.0	-111.63	360.51	0.56	-111.07
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687692	0	42	-2.0	-103.80	371.30	-5.06	-108.86
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028687692	1	42	-2.0	-103.15	371.42	-5.09	-108.24
O=C(NCC12CC(C1)CN2C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C1=CC(=O)[N-]O1	REAL300028687721	0	42	-2.0	-99.68	364.06	3.46	-96.22
CN1N=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300028687762	0	39	-2.0	-113.75	338.75	-0.79	-114.54
[N-]=[N+]=NC1=CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=CC=C1[O-]	REAL300028687797	0	42	-2.0	-99.26	363.08	-0.19	-99.45
N#CC1=CC=C([O-])C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028687840	0	41	-2.0	-111.29	357.17	3.70	-107.59
O=C(NCC12CC(C1)CN2C(=O)C1=CN([O-])C(=O)NC1=O)C1=CC(=O)[N-]O1	REAL300028687965	0	40	-2.0	-104.52	356.16	0.21	-104.31
O=C(NCC12CC(C1)CN2C(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300028688004	0	40	-2.0	-112.04	358.90	3.84	-108.20
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300028688031	1	40	-2.0	-100.61	341.52	2.05	-98.56
O=C(NCC12CC(C1)CN2C(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=CC(=O)[N-]O1	REAL300028688040	1	45	-2.0	-130.57	379.15	3.56	-127.01
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=CC(=O)[N-]O1	REAL300028688044	0	42	-2.0	-114.05	366.12	3.85	-110.20
O=C(NCC12CC(C1)CN2C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300028688047	0	42	-2.0	-106.79	364.49	3.98	-102.81
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C(Cl)C=C1[O-])C1=CC(=O)[N-]O1	REAL300028688058	1	40	-2.0	-117.43	354.69	3.69	-113.74
O=C(NCC12CC(C1)CN2C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300028688073	0	42	-2.0	-95.69	365.15	2.42	-93.27
O=C(NCC12CC(C1)CN2C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300028688149	0	38	-2.0	-99.84	334.93	-2.91	-102.75
O=C(NCC12CC(C1)CN2C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300028688149	1	38	-2.0	-99.84	334.93	-2.91	-102.75
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C2N=NN([O-])C2=C1)C1=CC(=O)[N-]O1	REAL300028688181	0	42	-2.0	-97.47	358.20	0.99	-96.48
O=C(NCC12CC(C1)CN2C(=O)C1=C(O)C2=CC=CC=C2C=N1)C1=CC(=O)[N-]O1	REAL300028688221	0	45	-2.0	-128.81	378.92	4.77	-124.04
O=C(NCC12CC(C1)CN2C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC(=O)[N-]O1	REAL300028688221	1	45	-2.0	-128.81	378.92	4.77	-124.04
O=C(NCC12CC(C1)CN2C(=O)C1=C(Cl)C(=O)[N-]S1)C1=CC(=O)[N-]O1	REAL300028688222	0	36	-2.0	-105.59	336.93	-0.04	-105.63
NC1=NC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300028688241	0	40	-2.0	-115.36	349.19	-0.64	-116.00
NC1=NC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300028688241	1	40	-2.0	-115.36	349.19	-0.64	-116.00
CC1=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)[N-]C(=O)C(C#N)=C1	REAL300028688275	0	43	-2.0	-92.06	370.60	2.09	-89.97
O=C(NCC12CC(C1)CN2C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC(=O)[N-]O1	REAL300028688356	0	40	-2.0	-101.94	359.12	2.41	-99.53
O=C(NCC12CC(C1)CN2C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300028688362	0	41	-2.0	-98.43	355.72	1.47	-96.96
O=C(NCC12CC(C1)CN2C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300028688362	1	41	-2.0	-98.43	355.72	1.47	-96.96
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C2N[N-]N=C2C1=O)C1=CC(=O)[N-]O1	REAL300028688370	0	42	-2.0	-114.04	364.94	0.85	-113.19
O=C(NCC12CC(C1)CN2C(=O)C1=NC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300028688378	0	39	-2.0	-118.40	349.93	2.95	-115.45
O=C(CC1=CC=C(O)C(Cl)=C1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688384	0	43	-2.0	-121.31	382.08	3.60	-117.71
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688384	1	43	-2.0	-121.31	382.08	3.60	-117.71
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300028688438	0	36	-2.0	-106.87	316.37	-0.67	-107.54
CC1SC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300028688474	0	39	-2.0	-103.09	349.07	-0.62	-103.71
CC1=C([O-])N=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300028688474	1	39	-2.0	-103.09	349.07	-0.62	-103.71
O=C(NCC12CC(C1)CN2C(=O)C1=C(O)C2=CC=CC=C2C=C1)C1=CC(=O)[N-]O1	REAL300028688545	0	46	-2.0	-124.97	382.12	5.53	-119.44
O=C(NCC12CC(C1)CN2C(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1=CC(=O)[N-]O1	REAL300028688545	1	46	-2.0	-124.97	382.12	5.53	-119.44
O=C(NCC12CC(C1)CN2C(=O)C1=CC2=CC=CC=C2C=C1O)C1=CC(=O)[N-]O1	REAL300028688553	0	46	-2.0	-129.76	382.44	5.56	-124.20
O=C(NCC12CC(C1)CN2C(=O)C1=CC2=CC=CC=C2C=C1[O-])C1=CC(=O)[N-]O1	REAL300028688553	1	46	-2.0	-129.76	382.44	5.56	-124.20
O=C(NCC12CC(C1)CN2C(=O)C(=O)C1=CC=C(O)C=C1)C1=CC(=O)[N-]O1	REAL300028688600	0	42	-2.0	-109.42	358.67	2.30	-107.12
O=C(NCC12CC(C1)CN2C(=O)C(=O)C1=CC=C([O-])C=C1)C1=CC(=O)[N-]O1	REAL300028688600	1	42	-2.0	-109.42	358.67	2.30	-107.12
O=C(NCC12CC(C1)CN2C(=O)C1=CN=C(C=N[O-])S1)C1=CC(=O)[N-]O1	REAL300028688631	0	39	-2.0	-111.27	355.71	0.03	-111.24
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)C=C(Cl)N1)C1=CC(=O)[N-]O1	REAL300028688663	0	39	-2.0	-102.32	350.80	2.48	-99.84
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=CC(=O)[N-]O1	REAL300028688663	1	39	-2.0	-102.32	350.80	2.48	-99.84
CSC1=NC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300028688687	0	42	-2.0	-116.50	377.14	0.52	-115.98
CSC1=NC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300028688687	1	42	-2.0	-116.50	377.14	0.52	-115.98
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300028688695	0	40	-2.0	-103.18	341.57	-2.39	-105.57
CCN1[N-]C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300028688775	0	43	-2.0	-109.97	366.01	1.66	-108.31
CN1[N-]C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300028688794	0	40	-2.0	-108.67	344.20	0.72	-107.95
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688810	0	40	-2.0	-106.37	360.45	-1.17	-107.54
O=C(CC1=CC(=O)N[N-]1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028688966	1	40	-2.0	-120.24	345.08	-0.46	-120.70
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300028688973	1	40	-2.0	-103.83	341.48	2.10	-101.73
O=C(NCC12CC(C1)CN2C(=O)C1=CC(F)=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300028689028	0	40	-2.0	-105.86	348.20	2.08	-103.78
O=C(NCC12CC(C1)CN2C(=O)C1=CC=NC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300028689033	0	39	-2.0	-122.23	345.12	2.03	-120.20
CC1=C(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)N(C)[N-]1	REAL300028689051	0	46	-2.0	-115.18	387.66	1.92	-113.26
O=C(CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([O-])C=C1	REAL300028689061	1	48	-2.0	-105.96	406.57	3.83	-102.13
CC1=CN=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300028689100	1	42	-2.0	-125.49	354.26	3.10	-122.39
O=C(NCC12CC(C1)CN2C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300028689135	0	37	-2.0	-117.20	328.28	1.06	-116.14
O=C(NCC12CC(C1)CN2C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300028689157	0	40	-2.0	-124.17	340.88	2.51	-121.66
O=C(NCC12CC(C1)CN2C(=O)C1=CC(F)=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300028689163	0	40	-2.0	-110.50	360.37	3.79	-106.71
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)NC1=O	REAL300028689210	0	40	-2.0	-102.56	346.81	0.56	-102.00
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300028689247	1	41	-2.0	-99.11	359.29	1.07	-98.04
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]C1=O	REAL300028689988	0	41	-2.0	-93.32	357.45	-2.26	-95.58
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)C=C1	REAL300028690363	0	43	-2.0	-104.27	368.54	3.89	-100.38
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)NC([O-])=C1	REAL300028690432	0	43	-2.0	-88.98	368.36	-1.21	-90.19
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300028690442	1	39	-2.0	-91.58	340.43	-1.38	-92.96
CCN1[N-]C(C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028690545	0	46	-2.0	-93.68	389.81	2.26	-91.42
O=C(CC1=CC(=O)N[N-]1)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690552	1	43	-2.0	-98.47	366.57	0.43	-98.04
CN1N=C(C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300028690569	0	42	-2.0	-96.02	362.58	-0.16	-96.18
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300028690616	0	41	-2.0	-85.73	349.49	1.77	-83.96
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300028690670	0	40	-2.0	-90.19	345.26	-0.38	-90.57
C[PH](C)([O-])C(=O)C(=O)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690675	0	45	-2.0	-89.18	384.42	1.12	-88.06
O=C(CCC1=NC(=O)NN1)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690693	0	45	-2.0	-100.03	381.84	-0.53	-100.56
O=C(CCC1=NC(=O)[N-]N1)NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028690693	1	45	-2.0	-100.03	381.84	-0.53	-100.56
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300028690695	0	43	-2.0	-106.88	366.12	4.05	-102.83
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300028690723	0	43	-2.0	-104.94	368.28	3.69	-101.25
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300028690743	0	43	-2.0	-119.77	365.34	4.67	-115.10
CC1=CC(=O)C(C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300028690970	0	44	-2.0	-94.99	374.61	3.60	-91.39
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]1	REAL300028690979	0	39	-2.0	-93.09	339.75	-1.83	-94.92
CN1[N-]C(C(=O)NC2CC3=CC=CC=C3N(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028691136	0	43	-2.0	-92.81	368.08	1.33	-91.48
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300028691217	0	41	-2.0	-86.99	359.66	-2.47	-89.46
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300028691217	1	41	-2.0	-86.99	359.66	-2.47	-89.46
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC=CC=C2O)C1)C1=CC(=O)[N-]O1	REAL300028691379	0	43	-2.0	-104.85	363.92	4.10	-100.75
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028691379	1	43	-2.0	-104.85	363.92	4.10	-100.75
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300028691635	0	41	-2.0	-92.54	357.51	-2.04	-94.58
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028692245	1	43	-2.0	-104.85	363.92	4.10	-100.75
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)N=C[N-]2)C1)C1=CC(=O)[N-]O1	REAL300028692257	0	41	-2.0	-89.06	354.48	1.80	-87.26
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=N[N-]C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300028692296	0	41	-2.0	-83.00	364.71	3.67	-79.33
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC([N+](=O)[O-])=N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300028692296	1	41	-2.0	-82.87	364.69	3.68	-79.19
COCC1=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C32)=N[N-]1	REAL300028692325	1	45	-2.0	-93.96	384.65	1.50	-92.46
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300028692370	1	43	-2.0	-93.22	370.97	3.17	-90.05
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300028692373	0	42	-2.0	-89.84	366.19	2.45	-87.39
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)N=C[N-]2)C1)C1=CC(=O)[N-]O1	REAL300028692383	0	41	-2.0	-89.06	354.48	1.80	-87.26
CC1=CC=C([O-])C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C32)=N1	REAL300028692411	1	45	-2.0	-99.86	379.04	4.26	-95.60
O=C(CCC1=NC(=O)[N-]N1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300028692412	1	45	-2.0	-100.88	384.69	-0.38	-101.26
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300028692421	0	41	-2.0	-84.60	354.27	1.49	-83.11
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028692426	0	43	-2.0	-106.37	370.28	4.18	-102.19
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300028692469	1	43	-2.0	-103.65	370.81	3.17	-100.48
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC=C([N+](=O)[O-])N2)C1)C1=CC(=O)[N-]O1	REAL300028692506	0	42	-2.0	-84.38	369.90	4.95	-79.43
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC=C([N+](=O)[O-])[N-]2)C1)C1=CC(=O)[N-]O1	REAL300028692506	1	42	-2.0	-84.38	369.90	4.95	-79.43
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300028692519	0	40	-2.0	-87.98	345.05	0.08	-87.90
C[PH](C)([O-])C(=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300028692523	0	45	-2.0	-89.08	378.56	1.04	-88.04
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300028692561	0	43	-2.0	-105.48	370.32	3.62	-101.86
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=NC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300028692575	0	39	-2.0	-89.54	340.46	-0.44	-89.98
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300028692577	0	43	-2.0	-103.17	368.65	3.60	-99.57
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(F)=CC=C2O)C1)C1=CC(=O)[N-]O1	REAL300028692658	0	43	-2.0	-97.69	370.26	4.19	-93.50
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028692658	1	43	-2.0	-97.69	370.26	4.19	-93.50
CC1=CC=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C32)=C1O	REAL300028692695	0	45	-2.0	-99.47	377.78	4.37	-95.10
CC1=CC=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C32)=C1[O-]	REAL300028692695	1	45	-2.0	-99.47	377.78	4.37	-95.10
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CN=CC(O)=C2)C1)C1=CC(=O)[N-]O1	REAL300028692744	0	42	-2.0	-94.27	357.83	1.15	-93.12
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300028692744	1	42	-2.0	-94.27	357.83	1.15	-93.12
CC1=CC(=O)C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C32)=N[N-]1	REAL300028692880	0	44	-2.0	-92.51	374.65	3.83	-88.68
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300028692889	0	43	-2.0	-119.53	369.86	4.23	-115.30
CN1N=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C32)[N-]C1=O	REAL300028692922	0	42	-2.0	-93.70	362.54	0.28	-93.42
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CN=C(Cl)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300028693001	0	39	-2.0	-84.59	351.86	2.92	-81.67
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=C[N-]C(Cl)=N2)C1)C1=CC(=O)[N-]O1	REAL300028693001	1	39	-2.0	-84.54	351.92	2.92	-81.62
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300028693015	1	43	-2.0	-94.92	368.96	3.08	-91.84
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC=C(O)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028693021	1	44	-2.0	-105.13	375.01	1.26	-103.87
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300028693050	0	41	-2.0	-85.60	359.13	-1.51	-87.11
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300028693050	1	41	-2.0	-85.60	359.13	-1.51	-87.11
NC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C32)C(=O)N1	REAL300028693076	0	43	-2.0	-90.70	366.66	0.29	-90.41
NC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C32)C(=O)[N-]1	REAL300028693076	1	43	-2.0	-90.70	366.66	0.29	-90.41
CC1=NC(=O)C=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C32)[N-]1	REAL300028693080	0	44	-2.0	-90.44	376.25	1.76	-88.68
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300028693138	0	39	-2.0	-93.13	340.63	0.30	-92.83
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(F)=NN2)C1)C1=CC(=O)[N-]O1	REAL300028693196	0	39	-2.0	-85.99	341.25	1.82	-84.17
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(F)=N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300028693196	1	39	-2.0	-85.99	341.25	1.82	-84.17
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300028693224	0	43	-2.0	-88.15	368.82	-1.31	-89.46
O=C(NC1=NC=CN1)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300028693236	0	43	-2.0	-108.54	371.58	2.21	-106.33
O=C([N-]C1=NC=CN1)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2=CC=CC=C21	REAL300028693236	1	43	-2.0	-108.54	371.58	2.21	-106.33
CCN1[N-]C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C32)=CC1=O	REAL300028693258	0	46	-2.0	-90.85	390.24	2.86	-87.99
CN1[N-]C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3=CC=CC=C32)=CC1=O	REAL300028693269	0	43	-2.0	-90.39	368.51	1.92	-88.47
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC=C(O)C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300028693331	0	43	-2.0	-93.85	368.93	3.13	-90.72
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300028693331	1	43	-2.0	-93.85	368.93	3.13	-90.72
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300028693382	0	40	-2.0	-98.12	354.31	1.95	-96.17
O=C(NC1CC2=CC=CC=C2N(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300028693391	0	43	-2.0	-106.81	375.32	3.70	-103.11
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CN=C(C2CC2)[N-]C1=O	REAL300028693924	1	45	-2.0	-98.22	371.52	2.08	-96.14
O=C(CCCN1C(=O)[N-]NC1=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694690	0	46	-2.0	-100.93	391.41	-1.23	-102.16
O=C(CCC1=NNC(=O)[N-]C1=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028694949	0	44	-2.0	-108.38	371.81	-2.95	-111.33
CC(=O)[N-]C1=NC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)=CS1	REAL300028694950	1	42	-2.0	-96.19	365.65	0.61	-95.58
O=C(CCN1C=C[N-]C(=O)C1=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028695140	1	45	-2.0	-106.91	377.55	1.21	-105.70
COC1=C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)NC(=O)[N-]C1=O	REAL300028695276	1	43	-2.0	-104.35	360.84	-1.70	-106.05
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=NNC(=O)[N-]C1=O	REAL300028695417	0	38	-2.0	-108.56	325.94	-3.07	-111.63
O=C(CN1C(=O)[N-]NC1=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028695550	0	40	-2.0	-118.12	341.60	-1.40	-119.52
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=N[N-]C2=CC=CC=C2C1=O	REAL300028696427	0	44	-2.0	-114.92	369.66	4.35	-110.57
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CN([O-])C(=O)C=C1	REAL300028696571	0	40	-2.0	-122.17	337.16	3.09	-119.08
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC(=O)NC([O-])=C1	REAL300028696762	0	40	-2.0	-95.80	345.94	-2.89	-98.69
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=COC(=O)[N-]1	REAL300028696776	1	36	-2.0	-97.32	311.28	-1.98	-99.30
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CN=C(C2CCC2)[N-]C1=O	REAL300028696833	1	48	-2.0	-98.22	387.27	2.62	-95.60
O=C([N-]C1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C(F)(F)C(F)(F)F	REAL300028696912	0	35	-2.0	-92.48	318.86	1.72	-90.76
CCN1[N-]C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)=CC1=O	REAL300028697039	0	43	-2.0	-108.11	360.10	1.69	-106.42
O=C(CC1=CC(=O)N[N-]1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697048	1	40	-2.0	-118.66	336.58	-0.37	-119.03
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=CC(=S)N1[O-]	REAL300028697073	0	40	-2.0	-126.94	353.68	4.03	-122.91
O=C(CC1SC(=O)[N-]C1=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697091	0	40	-2.0	-102.55	349.87	-1.86	-104.41
CN1N=C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)[N-]C1=O	REAL300028697110	0	39	-2.0	-108.65	331.63	-0.81	-109.46
CC1=C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C(=O)NC(C2CC2)=N1	REAL300028697229	0	48	-2.0	-98.42	388.42	2.70	-95.72
CC1=C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C(=O)[N-]C(C2CC2)=N1	REAL300028697229	1	48	-2.0	-98.42	388.42	2.70	-95.72
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=C[N-]N=CC1=O	REAL300028697244	0	38	-2.0	-94.00	327.76	0.14	-93.86
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=C2N=NN([O-])C2=C1	REAL300028697286	0	42	-2.0	-123.53	354.85	1.59	-121.94
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC(=O)N[N-]1	REAL300028697399	0	37	-2.0	-103.39	315.54	-0.96	-104.35
C[PH](C)([O-])C(=O)C(=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697404	0	42	-2.0	-105.00	353.78	0.25	-104.75
O=C(CCC1=NC(=O)NN1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697446	0	42	-2.0	-106.77	351.84	-1.33	-108.10
O=C(CCC1=NC(=O)[N-]N1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697446	1	42	-2.0	-106.77	351.84	-1.33	-108.10
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=CN([O-])C1=O	REAL300028697455	0	40	-2.0	-140.64	336.35	4.06	-136.58
CSC1=NC=C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C(=O)N1	REAL300028697476	0	42	-2.0	-104.85	369.99	0.04	-104.81
CSC1=NC=C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C(=O)[N-]1	REAL300028697476	1	42	-2.0	-104.85	369.99	0.04	-104.81
CC1SC(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)=NC1=O	REAL300028697502	0	39	-2.0	-100.21	340.92	-0.88	-101.09
CC1=C([O-])N=C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)S1	REAL300028697502	1	39	-2.0	-100.21	340.92	-0.88	-101.09
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC(=O)C=C(Cl)N1	REAL300028697526	0	39	-2.0	-97.88	344.53	2.28	-95.60
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC(=O)C=C(Cl)[N-]1	REAL300028697526	1	39	-2.0	-97.88	344.53	2.28	-95.60
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC(=O)N([O-])C=C1	REAL300028697553	0	40	-2.0	-121.35	339.12	3.06	-118.29
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=CC(=O)N1[O-]	REAL300028697620	0	40	-2.0	-125.11	342.57	2.99	-122.12
NC1=NC([O-])=C(CC(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)S1	REAL300028697822	0	41	-2.0	-122.20	357.24	-1.95	-124.15
O=C(CC1=NC([O-])=CS1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697890	0	39	-2.0	-126.55	342.43	-1.10	-127.65
CCC1=NC=C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C(=O)[N-]1	REAL300028697919	1	44	-2.0	-103.87	368.74	0.51	-103.36
O=C(CN1N=CC(=O)[N-]C1=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028697932	0	41	-2.0	-116.43	351.93	-2.51	-118.94
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=C(Cl)C(=O)[N-]S1	REAL300028698021	0	36	-2.0	-96.37	340.74	-0.73	-97.10
COCC1=NC=C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C(=O)N1	REAL300028698148	0	45	-2.0	-98.27	373.36	-0.27	-98.54
COCC1=NC=C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C(=O)[N-]1	REAL300028698148	1	45	-2.0	-98.27	373.36	-0.27	-98.54
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CN=C(CC2CC2)NC1=O	REAL300028698161	0	48	-2.0	-97.01	391.34	3.08	-93.93
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CN=C(CC2CC2)[N-]C1=O	REAL300028698161	1	48	-2.0	-97.01	391.34	3.08	-93.93
CC1=CC(=O)C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)=N[N-]1	REAL300028698260	0	41	-2.0	-108.63	343.09	2.78	-105.85
CN1N=CC2=C1[N-]C=C(C(=O)NC1C3CCCN(C(=O)C4=CC(=O)[N-]O4)C31)C2=O	REAL300028698266	0	45	-2.0	-95.17	374.02	2.97	-92.20
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=NC(=O)N[N-]1	REAL300028698283	0	36	-2.0	-99.07	317.49	-3.34	-102.41
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300028698312	0	41	-2.0	-94.57	359.65	0.95	-93.62
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300028698312	1	41	-2.0	-94.57	359.65	0.95	-93.62
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CN=C(C=N[O-])S1	REAL300028698463	0	39	-2.0	-104.60	358.55	-0.44	-105.04
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=CC2=C1C(=O)N=CN2	REAL300028698675	0	44	-2.0	-117.12	363.10	3.60	-113.52
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=CC2=C1C(=O)N=C[N-]2	REAL300028698675	1	44	-2.0	-117.12	363.10	3.60	-113.52
CN1[N-]C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)=CC1=O	REAL300028698728	0	40	-2.0	-106.87	338.37	0.76	-106.11
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=CC2=C1C(=O)NC2=O	REAL300028698739	0	43	-2.0	-135.87	361.38	1.14	-134.73
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300028698739	1	43	-2.0	-135.87	361.38	1.14	-134.73
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028698743	0	40	-2.0	-106.48	352.90	-1.17	-107.65
CC1=C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C(=S)NC(=O)N1	REAL300028698744	0	42	-2.0	-128.62	373.21	-0.91	-129.53
CC1=C(C(=O)NC2C3CCCN(C(=O)C4=CC(=O)[N-]O4)C32)C(=S)[N-]C(=O)N1	REAL300028698744	1	42	-2.0	-128.62	373.21	-0.91	-129.53
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C(F)(F)C(F)F	REAL300028698887	0	35	-2.0	-92.71	313.85	1.57	-91.14
O=C([N-]C1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C(F)(F)C(F)F	REAL300028698887	1	35	-2.0	-92.71	313.85	1.57	-91.14
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=NC(=O)[N-]C(=O)N1	REAL300028698979	0	38	-2.0	-94.32	336.98	-4.32	-98.64
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=NC(=O)NC(=O)[N-]1	REAL300028698979	1	38	-2.0	-94.32	336.98	-4.32	-98.64
O=C(COC1=NC(=O)[N-]C(=O)N1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028699065	0	42	-2.0	-104.03	362.75	-4.79	-108.82
O=C(COC1=NC(=O)NC(=O)[N-]1)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028699065	1	42	-2.0	-104.03	362.75	-4.79	-108.82
O=C(CN1[N-]C(=O)C=CC1=O)NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028699226	0	42	-2.0	-114.02	357.30	-0.40	-114.42
O=C(NC1C2CCCN(C(=O)C3=NC=CC=C3O)C21)C1=CC(=O)[N-]O1	REAL300028699484	0	39	-2.0	-103.20	335.03	2.04	-101.16
O=C(NC1C2CCCN(C(=O)C3=NC=CC=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028699484	1	39	-2.0	-103.20	335.03	2.04	-101.16
O=C(CCN1C=CNC(=O)C1=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028699602	0	45	-2.0	-100.98	379.12	1.20	-99.78
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028699602	1	45	-2.0	-100.98	379.12	1.20	-99.78
CC(=O)NC1=NC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=CS1	REAL300028699615	0	42	-2.0	-91.80	373.14	0.24	-91.56
CC(=O)[N-]C1=NC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=CS1	REAL300028699615	1	42	-2.0	-91.80	373.14	0.24	-91.56
O=C(NC1C2CCCN(C(=O)C3=NNC(=O)[N-]C3=O)C21)C1=CC(=O)[N-]O1	REAL300028699643	0	38	-2.0	-97.04	334.32	-3.81	-100.85
COC1=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)NC(=O)NC1=O	REAL300028699696	0	43	-2.0	-93.66	378.02	-4.12	-97.78
COC1=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)NC(=O)[N-]C1=O	REAL300028699696	1	43	-2.0	-93.66	378.02	-4.12	-97.78
O=C(CN1C(=O)[N-]NC1=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028699868	0	40	-2.0	-106.93	343.34	-1.30	-108.23
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028699920	0	44	-2.0	-92.47	376.71	1.42	-91.05
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028700852	0	46	-2.0	-91.89	385.69	-0.22	-92.11
O=C(NC1C2CCCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C21)C1=CC(=O)[N-]O1	REAL300028701064	1	45	-2.0	-103.66	368.26	2.24	-101.42
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028701895	0	44	-2.0	-93.35	382.28	-3.82	-97.17
O=C(NC1C2CCCN(C(=O)C3=CC=C([O-])C([N+](=O)[O-])=C3)C21)C1=CC(=O)[N-]O1	REAL300028701903	0	42	-2.0	-99.26	358.42	4.00	-95.26
O=C(NC1C2CCCN(C(=O)C3=CC(Cl)=CC=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028701919	1	40	-2.0	-98.09	359.22	2.42	-95.67
N#CC1=CC([O-])=CC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C1	REAL300028701953	1	41	-2.0	-97.03	353.34	2.55	-94.48
NC1=CC=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C([O-])=C1Cl	REAL300028701982	0	42	-2.0	-109.17	363.79	1.32	-107.85
O=C(NC1C2CCCN(C(=O)C3=CC=CC([N+](=O)[O-])=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028702035	0	42	-2.0	-107.57	361.20	4.52	-103.05
CCC1=NC=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C(=O)[N-]1	REAL300028702067	1	44	-2.0	-105.72	370.19	1.20	-104.52
O=C(NC1C2CCCN(C(=O)C3=COC(=O)[N-]3)C21)C1=CC(=O)[N-]O1	REAL300028702090	1	36	-2.0	-98.50	317.77	-1.62	-100.12
O=C(C[N-]C(=O)C(F)(F)F)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702193	0	39	-2.0	-87.28	347.62	-1.17	-88.45
NC1=NC([O-])=C(CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)S1	REAL300028702194	0	41	-2.0	-101.89	358.81	-1.96	-103.85
O=C(NC1C2CCCN(C(=O)C3=CC=C([O-])C=C3F)C21)C1=CC(=O)[N-]O1	REAL300028702221	1	40	-2.0	-100.55	337.52	2.27	-98.28
O=C(NC1C2CCCN(C(=O)C3=CC([O-])=C4SC=CC4=C3)C21)C1=CC(=O)[N-]O1	REAL300028702228	1	43	-2.0	-111.45	379.52	2.54	-108.91
O=C(NC1C2CCCN(C(=O)C3=CC([O-])=CC(=O)O3)C21)C1=CC(=O)[N-]O1	REAL300028702231	0	39	-2.0	-99.46	336.06	1.71	-97.75
N#CC1=CC=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C=C1[O-]	REAL300028702243	1	41	-2.0	-102.70	352.64	2.61	-100.09
O=C(NC1C2CCCN(C(=O)C3=CC(Cl)=NC=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028702249	0	39	-2.0	-94.61	354.56	0.36	-94.25
N#CC1=CC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C(N)[N-]C1=O	REAL300028702252	0	42	-2.0	-105.26	367.01	-0.63	-105.89
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702268	0	41	-2.0	-101.28	361.74	-3.48	-104.76
CC1=CC=C([O-])C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=N1	REAL300028702361	1	42	-2.0	-117.77	348.05	3.61	-114.16
O=C(NC1C2CCCN(C(=O)C3=C[N-]N=CC3=O)C21)C1=CC(=O)[N-]O1	REAL300028702387	0	38	-2.0	-100.05	329.51	0.90	-99.15
O=C(NC1C2CCCN(C(=O)C3=CC=CC(F)=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028702398	0	40	-2.0	-110.74	341.42	2.92	-107.82
O=C(NC1C2CCCN(C(=O)C3=CC=CC([O-])=C3F)C21)C1=CC(=O)[N-]O1	REAL300028702524	1	40	-2.0	-105.84	341.70	2.36	-103.48
O=C(NC1C2CCCN(C(=O)C3=CC=C([N+](=O)[O-])C([O-])=C3)C21)C1=CC(=O)[N-]O1	REAL300028702599	0	42	-2.0	-95.60	368.50	3.01	-92.59
O=C(NC1C2CCCN(C(=O)C3=CC(=O)N[N-]3)C21)C1=CC(=O)[N-]O1	REAL300028702664	0	37	-2.0	-94.01	322.96	-1.59	-95.60
C[PH](C)([O-])C(=O)C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702671	0	42	-2.0	-87.58	347.79	0.33	-87.25
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028702699	0	45	-2.0	-112.75	391.54	2.96	-109.79
O=C(NC1C2CCCN(C(=O)C3=CN=C(CC4CC4)NC3=O)C21)C1=CC(=O)[N-]O1	REAL300028702720	0	48	-2.0	-103.85	388.35	3.63	-100.22
O=C(NC1C2CCCN(C(=O)C3=CN=C(CC4CC4)[N-]C3=O)C21)C1=CC(=O)[N-]O1	REAL300028702720	1	48	-2.0	-103.85	388.35	3.63	-100.22
COCC1=NC=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C(=O)N1	REAL300028702737	0	45	-2.0	-106.09	381.66	-0.56	-106.65
COCC1=NC=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C(=O)[N-]1	REAL300028702737	1	45	-2.0	-106.09	381.66	-0.56	-106.65
O=C(NC1C2CCCN(C(=O)C3=CC(=O)N([O-])C=C3)C21)C1=CC(=O)[N-]O1	REAL300028702791	0	40	-2.0	-109.81	338.49	2.74	-107.07
O=C(NC1C2CCCN(C(=O)C3=CC(F)=C(F)C([O-])=C3F)C21)C1=CC(=O)[N-]O1	REAL300028702827	0	40	-2.0	-100.31	349.09	2.35	-97.96
O=C(NC1C2CCCN(C(=O)C3=NNC(=O)[N-]3)C21)C1=CC(=O)[N-]O1	REAL300028702829	0	36	-2.0	-98.01	318.07	-3.13	-101.14
O=C(NC1C2CCCN(C(=O)C3=CC=CN([O-])C3=O)C21)C1=CC(=O)[N-]O1	REAL300028702841	0	40	-2.0	-111.40	345.39	3.01	-108.39
CC1=NC2=NC=C(C(=O)N3CCCC4C(NC(=O)C5=CC(=O)[N-]O5)C43)C(=O)N2[N-]1	REAL300028702947	0	44	-2.0	-91.82	376.13	3.78	-88.04
NC1=CC(=O)[N-]C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=N1	REAL300028702985	0	40	-2.0	-99.09	347.63	-1.92	-101.01
O=C(NC1C2CCCN(C(=O)C3=CC=C([O-])C(Cl)=C3)C21)C1=CC(=O)[N-]O1	REAL300028703055	0	40	-2.0	-98.42	348.46	2.75	-95.67
O=C(NC1C2CCCN(C(=O)C3=CC(F)=CC=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028703062	1	40	-2.0	-98.44	349.01	1.95	-96.49
CC1=CC=NC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C1[O-]	REAL300028703150	1	42	-2.0	-102.84	354.62	2.70	-100.14
O=C(NC1C2CCCN(C(=O)C3=CC=C(Cl)C(F)=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028703207	0	40	-2.0	-105.61	357.62	3.38	-102.23
O=C(NC1C2CCCN(C(=O)C3=CN=CC([O-])=C3)C21)C1=CC(=O)[N-]O1	REAL300028703323	1	39	-2.0	-97.59	335.58	-0.65	-98.24
O=C(NC1C2CCCN(C(=O)C3=CC=CC(=S)N3[O-])C21)C1=CC(=O)[N-]O1	REAL300028703336	0	40	-2.0	-112.04	364.58	2.39	-109.65
O=C(NC1C2CCCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C21)C1=CC(=O)[N-]O1	REAL300028703480	1	48	-2.0	-107.42	397.03	2.35	-105.07
NC1=CC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=CC([O-])=C1Cl	REAL300028703494	1	42	-2.0	-103.04	361.18	0.67	-102.37
O=C(NC1C2CCCN(C(=O)C3=CC=C([O-])C(Cl)=N3)C21)C1=CC(=O)[N-]O1	REAL300028703498	0	39	-2.0	-93.27	353.37	0.90	-92.37
O=C(NC1C2CCCN(C(=O)C3=CC=C([O-])C=C3Cl)C21)C1=CC(=O)[N-]O1	REAL300028703566	1	40	-2.0	-98.98	345.77	2.70	-96.28
N#CC1=CC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C([O-])C=C1N	REAL300028703568	0	43	-2.0	-108.96	363.51	1.91	-107.05
O=C(CC1=NC([O-])=CS1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703579	0	39	-2.0	-122.51	345.21	-0.94	-123.45
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703602	0	42	-2.0	-102.25	368.20	-1.36	-103.61
O=C(NC1C2CCCN(C(=O)C3=CC=C(F)C=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028703605	0	40	-2.0	-112.05	337.26	3.63	-108.42
O=C(CC1SC(=O)[N-]C1=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703729	0	40	-2.0	-87.82	359.49	-2.76	-90.58
O=C(NC1C2CCCN(C(=O)C3=CC=C([O-])C(F)=C3F)C21)C1=CC(=O)[N-]O1	REAL300028703756	0	40	-2.0	-100.16	347.98	2.43	-97.73
O=C(NC1C2CCCN(C(=O)C3=CC([N+](=O)[O-])=C[N-]C3=O)C21)C1=CC(=O)[N-]O1	REAL300028703760	1	41	-2.0	-89.46	369.45	-0.07	-89.53
O=C(NC1C2CCCN(C(=O)C3=CC=CC(Cl)=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028703765	0	40	-2.0	-106.74	351.23	3.39	-103.35
CC1=CC(=O)C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=N[N-]1	REAL300028703798	0	41	-2.0	-97.74	352.21	2.11	-95.63
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703803	0	45	-2.0	-107.72	383.88	1.72	-106.00
CN1N=CC2=C1[N-]C=C(C(=O)N1CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C31)C2=O	REAL300028703807	0	45	-2.0	-102.77	384.24	2.70	-100.07
O=C(NC1C2CCCN(C(=O)C3=CC=CC(=O)N3[O-])C21)C1=CC(=O)[N-]O1	REAL300028703833	0	40	-2.0	-110.72	353.47	1.77	-108.95
N#CC1=CC=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C(=O)[N-]1	REAL300028703870	0	40	-2.0	-93.15	362.86	-0.32	-93.47
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703871	0	42	-2.0	-93.06	364.37	-4.82	-97.88
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028703871	1	42	-2.0	-86.75	364.33	-4.77	-91.52
O=C(NC1C2CCCN(C(=O)C3=CC([O-])=CC=C3[N+](=O)[O-])C21)C1=CC(=O)[N-]O1	REAL300028703900	0	42	-2.0	-107.16	360.55	3.78	-103.38
CN1N=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)[N-]C1=O	REAL300028703941	0	39	-2.0	-99.42	340.16	-1.49	-100.91
[N-]=[N+]=NC1=CC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=CC=C1[O-]	REAL300028703976	0	42	-2.0	-96.44	361.61	0.09	-96.35
N#CC1=CC=C([O-])C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C1	REAL300028704019	0	41	-2.0	-98.06	363.37	2.33	-95.73
O=C(NC1C2CCCN(C(=O)C3=CN([O-])C(=O)NC3=O)C21)C1=CC(=O)[N-]O1	REAL300028704144	0	40	-2.0	-97.61	337.05	0.83	-96.78
O=C(NC1C2CCCN(C(=O)C3=CC(Cl)=C(F)C=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028704183	0	40	-2.0	-101.79	357.80	3.38	-98.41
O=C(NC1C2CCCN(C(=O)C3=CC=C(F)C([O-])=C3)C21)C1=CC(=O)[N-]O1	REAL300028704210	1	40	-2.0	-107.71	338.70	2.24	-105.47
O=C(NC1C2CCCN(C(=O)C3=C([O-])C4=NC=CC=C4C=C3)C21)C1=CC(=O)[N-]O1	REAL300028704219	1	45	-2.0	-119.05	376.04	3.40	-115.65
O=C(NC1C2CCCN(C(=O)C3=CC=C([N+](=O)[O-])C=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028704223	0	42	-2.0	-107.21	359.01	4.22	-102.99
O=C(NC1C2CCCN(C(=O)C3=CC([N+](=O)[O-])=CC=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028704226	0	42	-2.0	-96.38	370.60	2.63	-93.75
O=C(NC1C2CCCN(C(=O)C3=CC=C(Cl)C=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028704237	1	40	-2.0	-112.38	347.58	4.07	-108.31
O=C(NC1C2CCCN(C(=O)C3=CC([O-])=CC([N+](=O)[O-])=C3)C21)C1=CC(=O)[N-]O1	REAL300028704252	0	42	-2.0	-95.72	360.68	2.84	-92.88
O=C(NC1C2CCCN(C(=O)C3=NC(=O)[N-]C(=O)N3)C21)C1=CC(=O)[N-]O1	REAL300028704328	0	38	-2.0	-102.17	336.61	-3.99	-106.16
O=C(NC1C2CCCN(C(=O)C3=NC(=O)NC(=O)[N-]3)C21)C1=CC(=O)[N-]O1	REAL300028704328	1	38	-2.0	-81.84	327.97	-2.32	-84.16
O=C(NC1C2CCCN(C(=O)C3=CC=C4N=NN([O-])C4=C3)C21)C1=CC(=O)[N-]O1	REAL300028704360	0	42	-2.0	-106.54	354.69	1.23	-105.31
O=C(NC1C2CCCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C21)C1=CC(=O)[N-]O1	REAL300028704400	1	45	-2.0	-107.36	380.27	4.36	-103.00
O=C(NC1C2CCCN(C(=O)C3=C(Cl)C(=O)[N-]S3)C21)C1=CC(=O)[N-]O1	REAL300028704401	0	36	-2.0	-87.81	330.30	-0.19	-88.00
NC1=NC=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C(=O)[N-]1	REAL300028704420	1	40	-2.0	-103.92	330.73	0.40	-103.52
CC1=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)[N-]C(=O)C(C#N)=C1	REAL300028704454	0	43	-2.0	-93.21	382.29	0.17	-93.04
O=C(NC1C2CCCN(C(=O)C3=CC=C(F)C([O-])=C3F)C21)C1=CC(=O)[N-]O1	REAL300028704475	0	40	-2.0	-104.16	347.96	2.42	-101.74
O=C(NC1C2CCCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C21)C1=CC(=O)[N-]O1	REAL300028704535	0	40	-2.0	-97.72	354.67	2.83	-94.89
O=C(NC1C2CCCN(C(=O)C3=C[N-]C(=O)C([N+](=O)[O-])=C3)C21)C1=CC(=O)[N-]O1	REAL300028704541	1	41	-2.0	-95.78	352.69	1.70	-94.08
COC1=NC(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=CC(=O)[N-]1	REAL300028704547	0	42	-2.0	-105.10	351.50	-2.09	-107.19
O=C(NC1C2CCCN(C(=O)C3=CC=C4N[N-]N=C4C3=O)C21)C1=CC(=O)[N-]O1	REAL300028704549	0	42	-2.0	-99.95	346.93	1.51	-98.44
O=C(NC1C2CCCN(C(=O)C3=NC=CC(Cl)=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028704557	0	39	-2.0	-98.32	350.94	2.55	-95.77
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704563	1	43	-2.0	-102.54	384.07	2.85	-99.69
O=C(NC1C2CCCN(C(=O)C3=CC=C(Cl)C([O-])=C3)C21)C1=CC(=O)[N-]O1	REAL300028704600	0	40	-2.0	-104.53	348.50	2.72	-101.81
O=C(NC1C2CCCN(C(=O)C3=CC=NC=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028704610	0	39	-2.0	-112.25	325.99	1.72	-110.53
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC(=O)[N-]O1	REAL300028704617	0	36	-2.0	-100.57	317.86	-1.48	-102.05
CC1=C([O-])N=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)S1	REAL300028704653	1	39	-2.0	-104.14	348.99	-0.80	-104.94
O=C(NC1C2CCCN(C(=O)C3=C([O-])C4=CC=CC=C4C=C3)C21)C1=CC(=O)[N-]O1	REAL300028704724	1	46	-2.0	-120.63	375.81	5.87	-114.76
O=C(NC1C2CCCN(C(=O)C3=CC4=CC=CC=C4C=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028704732	1	46	-2.0	-103.03	388.75	4.20	-98.83
O=C(NC1C2CCCN(C(=O)C(=O)C3=CC=C([O-])C=C3)C21)C1=CC(=O)[N-]O1	REAL300028704779	1	42	-2.0	-94.12	369.92	1.32	-92.80
O=C(NC1C2CCCN(C(=O)C3=CN=C(C=N[O-])S3)C21)C1=CC(=O)[N-]O1	REAL300028704810	0	39	-2.0	-108.85	349.32	0.20	-108.65
O=C(NC1C2CCCN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C21)C1=CC(=O)[N-]O1	REAL300028704842	1	39	-2.0	-90.01	352.75	1.90	-88.11
CSC1=NC=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C(=O)[N-]1	REAL300028704866	1	42	-2.0	-104.46	358.67	1.56	-102.90
O=C(NC1C2CCCN(C(=O)C3=CC(=O)NC([O-])=C3)C21)C1=CC(=O)[N-]O1	REAL300028704874	0	40	-2.0	-96.29	348.83	-3.12	-99.41
CCN1[N-]C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=CC1=O	REAL300028704954	0	43	-2.0	-96.13	367.91	1.00	-95.13
CN1[N-]C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=CC1=O	REAL300028704973	0	40	-2.0	-95.88	345.77	0.12	-95.76
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028704989	0	40	-2.0	-90.95	354.46	-1.12	-92.07
O=C(CC1=CC(=O)N[N-]1)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028705145	1	40	-2.0	-101.71	346.39	-1.29	-103.00
O=C(NC1C2CCCN(C(=O)C3=CC=C([O-])C(F)=C3)C21)C1=CC(=O)[N-]O1	REAL300028705152	1	40	-2.0	-101.60	338.66	2.28	-99.32
O=C(NC1C2CCCN(C(=O)C3=CC(F)=C([O-])C(F)=C3)C21)C1=CC(=O)[N-]O1	REAL300028705207	0	40	-2.0	-101.12	352.73	1.31	-99.81
O=C(NC1C2CCCN(C(=O)C3=CC=NC(Cl)=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028705212	0	39	-2.0	-95.42	353.88	0.38	-95.04
CC1=C(CC(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C(=O)N(C)[N-]1	REAL300028705230	0	46	-2.0	-105.65	381.15	2.19	-103.46
O=C(CCC(=O)N1CCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21)C1=CC=C([O-])C=C1	REAL300028705240	1	48	-2.0	-91.22	400.60	3.84	-87.38
CC1=CN=C(C(=O)N2CCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C([O-])=C1	REAL300028705279	1	42	-2.0	-104.23	355.74	2.65	-101.58
O=C(NC1C2CCCN(C(=O)C3=CC([O-])=CS3)C21)C1=CC(=O)[N-]O1	REAL300028705314	0	37	-2.0	-111.83	323.33	1.07	-110.76
O=C(NC1C2CCCN(C(=O)C3=CN([O-])C(=O)C=C3)C21)C1=CC(=O)[N-]O1	REAL300028705336	0	40	-2.0	-109.51	338.12	2.73	-106.78
O=C(NC1C2CCCN(C(=O)C3=CC(F)=CC(Cl)=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028705342	0	40	-2.0	-102.69	357.64	3.43	-99.26
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CN([O-])C(=O)NC1=O	REAL300028705389	0	40	-2.0	-100.73	340.00	0.72	-100.01
O=C(NC1C2CCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300028705426	1	41	-2.0	-90.40	359.76	0.28	-90.12
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300028705963	1	47	-2.0	-88.45	382.36	1.45	-87.00
O=C(CCCN1C(=O)[N-]NC1=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706675	0	48	-2.0	-92.03	395.64	-0.81	-92.84
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028706914	0	46	-2.0	-90.67	381.94	-3.59	-94.26
CC(=O)[N-]C1=NC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300028706915	1	44	-2.0	-83.81	376.19	-0.10	-83.91
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028707094	1	47	-2.0	-98.55	387.69	0.55	-98.00
COC1=C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300028707216	1	45	-2.0	-99.33	374.14	-2.43	-101.76
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]C1=O	REAL300028707343	0	40	-2.0	-105.79	339.68	-3.90	-109.69
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028707471	0	42	-2.0	-92.21	353.14	-1.99	-94.20
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)C=C1	REAL300028708426	0	42	-2.0	-102.20	348.69	2.41	-99.79
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)NC([O-])=C1	REAL300028708610	0	42	-2.0	-85.39	350.52	-2.44	-87.83
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300028708623	1	38	-2.0	-93.49	323.30	-2.81	-96.30
O=C([N-][C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)(F)F	REAL300028708754	0	37	-2.0	-83.54	324.58	0.61	-82.93
CCN1[N-]C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028708874	0	45	-2.0	-89.50	370.61	0.98	-88.52
O=C(CC1=CC(=O)N[N-]1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708883	1	42	-2.0	-95.57	348.13	-0.96	-96.53
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=S)N1[O-]	REAL300028708908	0	42	-2.0	-119.89	358.63	4.49	-115.40
O=C(CC1SC(=O)[N-]C1=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028708924	0	42	-2.0	-99.72	361.91	-2.67	-102.39
CN1N=C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300028708943	0	41	-2.0	-92.18	344.69	-1.40	-93.58
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300028709071	0	40	-2.0	-88.80	332.92	0.51	-88.29
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C2N=NN([O-])C2=C1	REAL300028709111	0	44	-2.0	-116.79	367.31	0.76	-116.03
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300028709218	0	39	-2.0	-97.94	328.12	-1.82	-99.76
C[PH](C)([O-])C(=O)C(=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709223	0	44	-2.0	-84.76	360.36	-0.31	-85.07
O=C(CCC1=NC(=O)NN1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709265	0	44	-2.0	-97.12	361.98	-1.99	-99.11
O=C(CCC1=NC(=O)[N-]N1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709265	1	44	-2.0	-97.12	361.98	-1.99	-99.11
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300028709274	0	42	-2.0	-101.98	349.08	2.60	-99.38
CSC1=NC=C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300028709295	0	44	-2.0	-94.17	375.24	0.39	-93.78
CSC1=NC=C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028709295	1	44	-2.0	-94.17	375.24	0.39	-93.78
CC1SC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300028709321	0	41	-2.0	-93.49	353.97	-1.49	-94.98
CC1=C([O-])N=C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300028709321	1	41	-2.0	-93.49	353.97	-1.49	-94.98
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)N1	REAL300028709344	0	41	-2.0	-94.96	358.26	1.47	-93.49
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300028709344	1	41	-2.0	-94.96	358.26	1.47	-93.49
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300028709369	0	42	-2.0	-102.60	350.40	2.47	-100.13
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300028709434	0	42	-2.0	-116.62	347.52	3.46	-113.16
NC1=NC([O-])=C(CC(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300028709619	0	43	-2.0	-107.95	368.72	-2.56	-110.51
O=C(CC1=NC([O-])=CS1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028709685	0	41	-2.0	-107.92	353.98	-1.68	-109.60
CCC1=NC=C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300028709712	0	46	-2.0	-94.03	373.99	0.86	-93.17
CCC1=NC=C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028709712	1	46	-2.0	-94.03	373.99	0.86	-93.17
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C(Cl)C(=O)[N-]S1	REAL300028709810	0	38	-2.0	-98.13	345.69	-0.53	-98.66
COCC1=NC=C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028709929	1	47	-2.0	-87.93	384.20	-0.90	-88.83
CC1=CC(=O)C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300028710036	0	43	-2.0	-105.91	356.84	1.96	-103.95
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]1	REAL300028710055	0	38	-2.0	-89.36	321.89	-3.07	-92.43
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300028710081	1	43	-2.0	-85.99	364.59	1.43	-84.56
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C=N[O-])S1	REAL300028710229	0	41	-2.0	-107.10	363.50	-0.24	-107.34
COC1=NC(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300028710250	0	44	-2.0	-102.82	368.85	-3.81	-106.63
CN1[N-]C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028710482	0	42	-2.0	-88.59	348.80	0.04	-88.55
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300028710492	1	45	-2.0	-104.08	372.96	0.51	-103.57
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710495	0	42	-2.0	-102.01	365.12	-1.99	-104.00
CC1=C(C(=O)N[C@H]2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300028710496	1	44	-2.0	-111.26	378.43	-0.61	-111.87
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300028710725	0	40	-2.0	-94.08	341.25	-4.87	-98.95
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300028710725	1	40	-2.0	-93.09	341.88	-4.12	-97.21
O=C(COC1=NC(=O)[N-]C(=O)N1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710804	0	44	-2.0	-92.13	374.27	-5.47	-97.60
O=C(COC1=NC(=O)NC(=O)[N-]1)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710804	1	44	-2.0	-86.35	374.22	-5.41	-91.76
O=C(CN1[N-]C(=O)C=CC1=O)N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028710957	0	44	-2.0	-93.03	369.25	-1.01	-94.04
O=C(N[C@H]1CCCCN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028711214	1	41	-2.0	-118.32	340.40	2.39	-115.93
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028711339	1	47	-2.0	-95.32	390.73	0.70	-94.62
CC(=O)[N-]C1=NC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300028711353	1	44	-2.0	-90.19	378.43	0.57	-89.62
O=C(N[C@H]1CCCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300028711388	0	40	-2.0	-106.05	340.26	-3.41	-109.46
COC1=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300028711445	1	45	-2.0	-88.73	381.06	-3.64	-92.37
O=C(CN1C(=O)[N-]NC1=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028711632	0	42	-2.0	-109.16	356.82	-1.97	-111.13
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028712733	0	48	-2.0	-94.96	397.28	-0.69	-95.65
O=C(N[C@H]1CCCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300028712966	1	47	-2.0	-95.83	391.01	1.20	-94.63
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028713920	0	46	-2.0	-91.68	384.99	-3.44	-95.12
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300028713930	0	44	-2.0	-92.84	366.95	3.38	-89.46
O=C(N[C@H]1CCCCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028713944	1	42	-2.0	-100.76	359.27	2.21	-98.55
N#CC1=CC([O-])=CC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028713978	1	43	-2.0	-91.66	369.11	2.04	-89.62
NC1=CC=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1Cl	REAL300028714010	0	44	-2.0	-102.19	377.04	0.37	-101.82
O=C(N[C@H]1CCCCN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028714076	0	44	-2.0	-109.98	368.68	3.49	-106.49
CCC1=NC=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028714110	1	46	-2.0	-94.14	380.18	0.54	-93.60
O=C(N[C@H]1CCCCN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300028714135	1	38	-2.0	-84.36	320.71	-0.53	-84.89
O=C(N[C@H]1CCCCN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300028714223	0	44	-2.0	-106.60	372.63	2.43	-104.17
O=C(C[N-]C(=O)C(F)(F)F)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714241	0	41	-2.0	-99.16	361.27	-1.70	-100.86
NC1=NC([O-])=C(CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300028714242	0	43	-2.0	-122.80	372.52	-2.47	-125.27
O=C(N[C@H]1CCCCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300028714253	0	42	-2.0	-95.02	364.71	1.94	-93.08
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300028714277	1	42	-2.0	-89.18	354.88	1.86	-87.32
O=C(N[C@H]1CCCCN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300028714286	0	41	-2.0	-94.86	349.06	0.93	-93.93
N#CC1=CC=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300028714297	1	43	-2.0	-97.25	361.39	1.97	-95.28
O=C(N[C@H]1CCCCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028714303	0	41	-2.0	-96.32	354.04	0.36	-95.96
N#CC1=CC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C(N)[N-]C1=O	REAL300028714310	0	44	-2.0	-94.51	380.44	-1.07	-95.58
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714329	0	43	-2.0	-114.25	367.20	-3.09	-117.34
CC1=CC=C([O-])C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300028714422	1	44	-2.0	-119.29	362.01	2.97	-116.32
O=C(N[C@H]1CCCCN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300028714450	0	40	-2.0	-100.11	341.54	0.22	-99.89
O=C(N[C@H]1CCCCN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028714464	0	42	-2.0	-109.79	348.91	1.74	-108.05
O=C(N[C@H]1CCCCN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300028714599	1	42	-2.0	-103.96	349.23	1.64	-102.32
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300028714686	0	44	-2.0	-86.65	366.92	3.35	-83.30
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300028714756	0	39	-2.0	-97.45	327.94	-1.29	-98.74
C[PH](C)([O-])C(=O)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714764	0	44	-2.0	-102.99	351.05	0.81	-102.18
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028714793	0	47	-2.0	-99.60	394.78	3.29	-96.31
COCC1=NC=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300028714834	0	47	-2.0	-94.66	393.11	-1.22	-95.88
COCC1=NC=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028714834	1	47	-2.0	-94.66	393.11	-1.22	-95.88
O=C(N[C@H]1CCCCN(C(=O)C2=CC(F)=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028714864	0	42	-2.0	-96.60	360.85	2.13	-94.47
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300028714897	0	42	-2.0	-102.91	348.87	2.13	-100.78
O=C(N[C@H]1CCCCN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300028714931	0	42	-2.0	-92.17	367.18	1.97	-90.20
O=C(N[C@H]1CCCCN(C(=O)C2=NC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300028714933	0	38	-2.0	-93.62	322.70	-1.88	-95.50
O=C(N[C@H]1CCCCN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300028714939	1	42	-2.0	-98.99	359.73	2.09	-96.90
O=C(N[C@H]1CCCCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300028714948	0	42	-2.0	-108.71	355.12	2.35	-106.36
O=C(N[C@H]1CCCCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300028714989	1	42	-2.0	-91.23	359.02	1.79	-89.44
NC1=CC(=O)[N-]C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300028715117	0	42	-2.0	-97.40	349.57	-1.14	-98.54
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1)C1=CC(=O)[N-]O1	REAL300028715194	0	42	-2.0	-87.57	358.62	2.15	-85.42
O=C(N[C@H]1CCCCN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028715201	1	42	-2.0	-99.91	348.95	1.75	-98.16
CC1=CC=NC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300028715297	1	44	-2.0	-118.10	360.74	3.08	-115.02
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028715363	0	42	-2.0	-104.88	365.08	2.23	-102.65
O=C(N[C@H]1CCCCN(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300028715492	1	41	-2.0	-86.43	335.82	-0.25	-86.68
O=C(N[C@H]1CCCCN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300028715505	0	42	-2.0	-117.61	365.01	2.74	-114.87
NC1=CC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC([O-])=C1Cl	REAL300028715675	1	44	-2.0	-99.75	370.58	0.06	-99.69
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=CC(=O)[N-]O1	REAL300028715680	0	41	-2.0	-89.99	358.92	1.21	-88.78
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300028715750	1	42	-2.0	-87.94	363.51	2.29	-85.65
N#CC1=CC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C([O-])C=C1N	REAL300028715753	0	45	-2.0	-98.31	376.69	-0.07	-98.38
O=C(CC1=NC([O-])=CS1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715766	0	41	-2.0	-122.86	357.70	-1.60	-124.46
O=C(N[C@H]1CCCCN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=CC(=O)[N-]O1	REAL300028715791	0	42	-2.0	-99.93	352.55	1.80	-98.13
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715794	0	44	-2.0	-109.53	372.97	-0.99	-110.52
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028715797	0	42	-2.0	-98.98	354.63	2.07	-96.91
CC1=CC=C(F)C([O-])=C1C(=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715847	0	45	-2.0	-114.20	377.23	2.50	-111.70
O=C(CC1SC(=O)[N-]C1=O)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028715944	0	42	-2.0	-98.04	365.22	-2.36	-100.40
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=CC(=O)[N-]O1	REAL300028715977	0	42	-2.0	-92.81	355.50	1.72	-91.09
O=C(N[C@H]1CCCCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300028715980	1	43	-2.0	-84.85	370.43	0.29	-84.56
O=C(N[C@H]1CCCCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028715986	0	42	-2.0	-104.30	358.70	2.23	-102.07
CC1=CC(=O)C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300028716024	0	43	-2.0	-105.63	357.17	2.43	-103.20
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716030	0	47	-2.0	-108.51	388.76	2.19	-106.32
O=C(N[C@H]1CCCCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300028716064	0	42	-2.0	-114.56	353.89	2.12	-112.44
N#CC1=CC=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028716111	0	42	-2.0	-104.90	367.55	0.07	-104.83
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716112	0	44	-2.0	-99.52	378.10	-5.33	-104.85
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716112	1	44	-2.0	-97.23	377.98	-5.30	-102.53
O=C(N[C@H]1CCCCN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300028716143	0	44	-2.0	-85.51	372.80	3.24	-82.27
CN1N=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300028716188	0	41	-2.0	-105.75	345.41	-1.12	-106.87
[N-]=[N+]=NC1=CC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC=C1[O-]	REAL300028716229	0	44	-2.0	-89.20	369.18	-0.58	-89.78
O=C(N[C@H]1CCCCN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C1=CC(=O)[N-]O1	REAL300028716272	0	43	-2.0	-94.43	363.07	0.05	-94.38
O=C(N[C@H]1CCCCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028716272	1	43	-2.0	-94.43	363.07	0.05	-94.38
N#CC1=CC=C([O-])C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028716285	0	43	-2.0	-92.48	370.09	2.54	-89.94
O=C(N[C@H]1CCCCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=CC(=O)[N-]O1	REAL300028716425	0	42	-2.0	-89.92	360.64	-0.24	-90.16
O=C(N[C@H]1CCCCN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028716465	0	42	-2.0	-96.46	365.36	2.23	-94.23
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300028716500	1	42	-2.0	-89.46	348.86	1.64	-87.82
O=C(N[C@H]1CCCCN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300028716509	1	47	-2.0	-111.31	389.36	2.33	-108.98
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028716513	0	44	-2.0	-95.31	376.38	2.66	-92.65
O=C(N[C@H]1CCCCN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028716516	0	44	-2.0	-91.86	370.73	2.35	-89.51
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028716530	1	42	-2.0	-98.92	364.94	2.52	-96.40
O=C(N[C@H]1CCCCN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300028716552	0	44	-2.0	-82.97	370.06	2.21	-80.76
O=C(N[C@H]1CCCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300028716639	0	40	-2.0	-85.34	339.37	-3.19	-88.53
O=C(N[C@H]1CCCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300028716639	1	40	-2.0	-92.07	342.18	-2.98	-95.05
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1)C1=CC(=O)[N-]O1	REAL300028716675	0	44	-2.0	-101.64	364.78	0.62	-101.02
O=C(N[C@H]1CCCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1)C1=CC(=O)[N-]O1	REAL300028716718	1	47	-2.0	-109.43	382.61	5.23	-104.20
O=C(N[C@H]1CCCCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=CC(=O)[N-]O1	REAL300028716719	0	38	-2.0	-89.67	340.68	-0.70	-90.37
NC1=NC=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028716744	1	42	-2.0	-94.62	353.49	-1.10	-95.72
CC1=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300028716778	0	45	-2.0	-100.81	386.82	0.62	-100.19
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300028716804	0	42	-2.0	-102.90	355.41	1.70	-101.20
O=C(N[C@H]1CCCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1)C1=CC(=O)[N-]O1	REAL300028716864	0	42	-2.0	-88.53	364.06	2.20	-86.33
O=C(N[C@H]1CCCCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300028716870	1	43	-2.0	-93.15	372.70	1.39	-91.76
COC1=NC(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300028716876	0	44	-2.0	-102.05	367.43	-2.70	-104.75
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1)C1=CC(=O)[N-]O1	REAL300028716879	0	44	-2.0	-100.45	360.67	0.34	-100.11
O=C(N[C@H]1CCCCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028716892	0	41	-2.0	-100.22	353.63	3.40	-96.82
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028716898	1	45	-2.0	-100.60	386.74	3.26	-97.34
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300028716939	0	42	-2.0	-86.13	358.65	2.13	-84.00
O=C(N[C@H]1CCCCN(C(=O)C2=CC=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028716950	0	41	-2.0	-98.81	343.34	0.14	-98.67
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300028716960	0	38	-2.0	-99.86	322.87	-1.33	-101.19
CC1=C([O-])N=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300028716999	1	41	-2.0	-96.22	354.73	-0.45	-96.67
O=C(N[C@H]1CCCCN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300028717054	1	48	-2.0	-99.93	391.37	4.18	-95.75
O=C(N[C@H]1CCCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300028717074	1	48	-2.0	-100.89	392.79	4.57	-96.32
O=C(N[C@H]1CCCCN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028717082	1	48	-2.0	-112.54	388.84	3.93	-108.61
O=C(N[C@H]1CCCCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300028717134	1	44	-2.0	-89.03	364.51	1.92	-87.11
O=C(N[C@H]1CCCCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=CC(=O)[N-]O1	REAL300028717172	0	41	-2.0	-106.47	364.23	-0.26	-106.73
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300028717208	1	41	-2.0	-94.25	358.83	2.20	-92.05
CSC1=NC=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028717234	1	44	-2.0	-94.92	381.43	0.07	-94.85
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300028717243	0	42	-2.0	-104.66	344.02	-2.69	-107.35
CCN1[N-]C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028717328	0	45	-2.0	-101.78	372.48	1.35	-100.43
CN1[N-]C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028717351	0	42	-2.0	-100.81	351.26	0.47	-100.34
O=C(N[C@H]1CCCCN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1)C1=CC(=O)[N-]O1	REAL300028717365	1	45	-2.0	-125.08	380.53	-0.78	-125.86
O=C(CSC1=NNC(=O)[N-]1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717369	0	42	-2.0	-100.00	368.12	-1.66	-101.66
CC1=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300028717371	1	44	-2.0	-88.07	374.92	-0.72	-88.79
O=C(N[C@H]1CCCCN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300028717444	1	47	-2.0	-94.49	386.09	2.27	-92.22
O=C(CC1=CC(=O)N[N-]1)N1CCCC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028717557	1	42	-2.0	-111.73	351.85	-0.88	-112.61
O=C(N[C@H]1CCCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300028717564	1	42	-2.0	-90.46	348.82	1.66	-88.80
O=C(N[C@H]1CCCCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300028717629	0	42	-2.0	-97.33	360.51	1.88	-95.45
O=C(N[C@H]1CCCCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028717635	0	41	-2.0	-101.13	353.34	0.40	-100.73
CC1=C(CC(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300028717656	0	48	-2.0	-112.74	394.63	1.53	-111.21
CC1=CN=C(C(=O)N2CCCC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300028717707	1	44	-2.0	-105.62	359.67	3.37	-102.25
O=C(N[C@H]1CCCCN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028717723	0	43	-2.0	-95.37	378.79	-0.28	-95.65
O=C(N[C@H]1CCCCN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300028717745	0	39	-2.0	-108.56	338.27	0.60	-107.96
O=C(N[C@H]1CCCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300028717769	0	42	-2.0	-102.82	349.40	2.16	-100.66
O=C(N[C@H]1CCCCN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028717775	0	42	-2.0	-92.87	370.65	2.62	-90.25
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)NC1=O	REAL300028717829	0	42	-2.0	-87.02	351.60	0.04	-86.98
O=C(N[C@H]1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300028717864	1	43	-2.0	-79.08	362.94	0.67	-78.41
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C2CC2)[N-]C1=O	REAL300028718347	1	48	-2.0	-106.55	391.59	1.89	-104.66
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NNC(=O)[N-]C1=O	REAL300028719314	0	41	-2.0	-93.69	346.97	-3.32	-97.01
O=C(CN1C(=O)[N-]NC1=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028719416	0	43	-2.0	-93.42	361.31	-1.63	-95.05
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)C=C1	REAL300028720123	0	43	-2.0	-105.62	355.64	2.66	-102.96
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)NC([O-])=C1	REAL300028720254	0	43	-2.0	-94.84	358.75	-2.06	-96.90
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=COC(=O)[N-]1	REAL300028720265	1	39	-2.0	-101.90	330.82	-2.21	-104.11
O=C([N-]C1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C(F)(F)C(F)(F)F	REAL300028720368	0	38	-2.0	-91.61	335.15	0.82	-90.79
CCN1[N-]C(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300028720458	0	46	-2.0	-97.03	380.19	1.41	-95.62
O=C(CC1=CC(=O)N[N-]1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720466	1	43	-2.0	-94.19	356.31	-0.60	-94.79
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=S)N1[O-]	REAL300028720486	0	43	-2.0	-110.64	366.61	4.86	-105.78
O=C(CC1SC(=O)[N-]C1=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720497	0	43	-2.0	-88.19	369.20	-2.10	-90.29
CN1N=C(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300028720514	0	42	-2.0	-98.73	352.89	-1.03	-99.76
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]N=CC1=O	REAL300028720611	0	41	-2.0	-94.66	339.54	0.93	-93.73
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C2N=NN([O-])C2=C1	REAL300028720647	0	45	-2.0	-103.92	372.20	1.17	-102.75
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N[N-]1	REAL300028720732	0	40	-2.0	-94.46	335.64	-1.23	-95.69
C[PH](C)([O-])C(=O)C(=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720737	0	45	-2.0	-88.40	371.15	-0.13	-88.53
O=C(CCC1=NC(=O)NN1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720769	0	45	-2.0	-98.18	368.93	-1.75	-99.93
O=C(CCC1=NC(=O)[N-]N1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028720769	1	45	-2.0	-98.18	368.93	-1.75	-99.93
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CN([O-])C1=O	REAL300028720774	0	43	-2.0	-123.61	355.62	3.00	-120.61
CC1SC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300028720809	0	42	-2.0	-110.99	362.18	-1.15	-112.14
CC1=C([O-])N=C(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300028720809	1	42	-2.0	-110.99	362.18	-1.15	-112.14
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)C=C(Cl)N1	REAL300028720823	0	42	-2.0	-90.97	365.80	2.08	-88.89
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)C=C(Cl)[N-]1	REAL300028720823	1	42	-2.0	-90.97	365.80	2.08	-88.89
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N([O-])C=C1	REAL300028720843	0	43	-2.0	-103.15	358.52	2.81	-100.34
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=O)N1[O-]	REAL300028720886	0	43	-2.0	-110.46	355.49	3.82	-106.64
O=C(C[N-]C(=O)C(F)(F)F)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721024	0	42	-2.0	-91.31	365.52	-1.36	-92.67
NC1=NC([O-])=C(CC(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300028721025	0	44	-2.0	-108.48	376.84	-2.21	-110.69
O=C(CC1=NC([O-])=CS1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721077	0	42	-2.0	-109.18	359.54	-1.54	-110.72
CCC1=NC=C(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300028721098	1	47	-2.0	-104.90	380.52	1.30	-103.60
O=C(CN1N=CC(=O)[N-]C1=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721109	0	44	-2.0	-96.22	371.67	-2.74	-98.96
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=C(Cl)C(=O)[N-]S1	REAL300028721174	0	39	-2.0	-93.25	352.97	0.05	-93.20
CC1=CC(=O)C(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300028721349	0	44	-2.0	-98.74	364.16	2.54	-96.20
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)N[N-]1	REAL300028721365	0	39	-2.0	-99.73	330.24	-2.52	-102.25
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C=N[O-])S1	REAL300028721499	0	42	-2.0	-101.76	370.69	0.36	-101.40
COC1=NC(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)=CC(=O)[N-]1	REAL300028721515	0	45	-2.0	-94.08	376.36	-3.21	-97.29
CN1[N-]C(C(=O)NC2CC3CCC2N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300028721694	0	43	-2.0	-96.39	358.15	0.45	-95.94
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028721702	0	43	-2.0	-93.19	369.98	-1.60	-94.79
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)[N-]C(=O)N1	REAL300028721877	0	41	-2.0	-102.86	348.54	-4.30	-107.16
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)NC(=O)[N-]1	REAL300028721877	1	41	-2.0	-94.66	349.41	-3.53	-98.19
O=C(CN1[N-]C(=O)C=CC1=O)NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028722046	0	45	-2.0	-94.45	377.43	-0.64	-95.09
O=C(NC1CC2CCC1N(C(=O)C1=NC=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028722300	1	42	-2.0	-110.95	347.03	2.86	-108.09
O=C(NC1CC2CCC1N(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300028722435	0	41	-2.0	-101.53	346.64	-2.95	-104.48
O=C(CN1C(=O)[N-]NC1=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028722628	0	43	-2.0	-97.74	361.76	-1.70	-99.44
O=C(NC1CC2CCC1N(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300028723592	1	48	-2.0	-112.76	400.69	1.60	-111.16
O=C(NC1CC2CCC1N(C(=O)C1=CC(Cl)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028724280	1	43	-2.0	-112.04	370.28	3.35	-108.69
N#CC1=CC([O-])=CC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028724307	1	44	-2.0	-98.92	370.12	2.22	-96.70
CCC1=NC=C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300028724406	1	47	-2.0	-111.30	389.60	1.01	-110.29
O=C(NC1CC2CCC1N(C(=O)C1=COC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300028724426	1	39	-2.0	-93.49	330.11	-0.94	-94.43
O=C(C[N-]C(=O)C(F)(F)F)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724503	0	42	-2.0	-95.35	368.99	-1.22	-96.57
NC1=NC([O-])=C(CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300028724504	0	44	-2.0	-124.61	380.20	-2.02	-126.63
O=C(NC1CC2CCC1N(C(=O)C1=C(F)C=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300028724514	0	43	-2.0	-86.36	369.43	2.20	-84.16
O=C(NC1CC2CCC1N(C(=O)C1=CC=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300028724530	1	43	-2.0	-100.10	360.21	2.17	-97.93
O=C(NC1CC2CCC1N(C(=O)C1=CC([O-])=CC(=O)O1)C2)C1=CC(=O)[N-]O1	REAL300028724536	0	42	-2.0	-94.49	355.06	1.50	-92.99
N#CC1=CC=C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C=C1[O-]	REAL300028724545	1	44	-2.0	-86.78	367.23	2.07	-84.71
O=C(NC1CC2CCC1N(C(=O)C1=CC(Cl)=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028724549	0	42	-2.0	-97.41	365.70	1.10	-96.31
N#CC1=CC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)=C(N)[N-]C1=O	REAL300028724555	0	45	-2.0	-97.43	386.48	-0.68	-98.11
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724572	0	44	-2.0	-102.75	372.19	-2.82	-105.57
CC1=CC=C([O-])C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028724643	1	45	-2.0	-112.21	368.29	3.44	-108.77
O=C(CCC1=NNC(=O)[N-]1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724645	0	45	-2.0	-97.41	374.88	-0.87	-98.28
O=C(NC1CC2CCC1N(C(=O)C1=C[N-]N=CC1=O)C2)C1=CC(=O)[N-]O1	REAL300028724664	0	41	-2.0	-91.85	348.53	0.68	-91.17
O=C(NC1CC2CCC1N(C(=O)C1=CC=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028724675	0	43	-2.0	-108.10	360.01	2.70	-105.40
O=C(NC1CC2CCC1N(C(=O)C1=CC=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300028724779	1	43	-2.0	-117.26	360.32	2.18	-115.08
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300028724904	0	40	-2.0	-88.36	332.51	-1.10	-89.46
C[PH](C)([O-])C(=O)C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028724910	0	45	-2.0	-98.22	373.57	0.25	-97.97
CN1[N-]C(CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300028724915	0	46	-2.0	-106.34	382.30	1.29	-105.05
O=C(NC1CC2CCC1N(C(=O)C1=CC(F)=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028724990	0	43	-2.0	-112.25	366.13	3.03	-109.22
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300028725018	0	43	-2.0	-100.86	363.24	2.66	-98.20
O=C(NC1CC2CCC1N(C(=O)C1=NC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300028725047	0	39	-2.0	-94.56	330.09	-1.59	-96.15
O=C(NC1CC2CCC1N(C(=O)C1=C([O-])C=CC=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300028725051	1	43	-2.0	-100.06	374.09	2.82	-97.24
O=C(NC1CC2CCC1N(C(=O)C1=CC=CN([O-])C1=O)C2)C1=CC(=O)[N-]O1	REAL300028725056	0	43	-2.0	-109.53	364.76	2.81	-106.72
O=C(NC1CC2CCC1N(C(=O)C1=C(F)C=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300028725086	1	43	-2.0	-96.29	369.76	2.20	-94.09
NC1=CC(=O)[N-]C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028725184	0	43	-2.0	-106.29	358.85	-1.12	-107.41
O=C(NC1CC2CCC1N(C(=O)C1=CC=C([O-])C(Cl)=C1)C2)C1=CC(=O)[N-]O1	REAL300028725243	0	43	-2.0	-89.22	363.03	2.22	-87.00
O=C(NC1CC2CCC1N(C(=O)C1=CC(F)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028725248	1	43	-2.0	-110.95	359.97	2.90	-108.05
CC1=CC=NC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)=C1[O-]	REAL300028725315	1	45	-2.0	-110.76	367.35	3.55	-107.21
O=C(NC1CC2CCC1N(C(=O)C1=CN=CC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300028725446	1	42	-2.0	-87.77	342.02	-0.12	-87.89
O=C(NC1CC2CCC1N(C(=O)C1=CC=CC(=S)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300028725456	0	43	-2.0	-109.97	376.69	3.29	-106.68
O=C(NC1CC2CCC1N(C(=O)C1=CC=C([O-])C(Cl)=N1)C2)C1=CC(=O)[N-]O1	REAL300028725584	0	42	-2.0	-90.30	364.99	1.70	-88.60
O=C(NC1CC2CCC1N(C(=O)C1=CC=C([O-])C=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300028725630	1	43	-2.0	-94.18	368.72	2.60	-91.58
N#CC1=CC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)=C([O-])C=C1N	REAL300028725632	0	46	-2.0	-108.98	387.27	1.20	-107.78
O=C(CC1=NC([O-])=CS1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725642	0	42	-2.0	-111.43	362.69	-1.34	-112.77
O=C(NC1CC2CCC1N(C(=O)C1=C([O-])C=CC=C1F)C2)C1=CC(=O)[N-]O1	REAL300028725657	0	43	-2.0	-111.92	365.59	2.41	-109.51
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725659	0	45	-2.0	-97.39	377.96	-0.72	-98.11
O=C(NC1CC2CCC1N(C(=O)C1=CC=C(F)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028725661	0	43	-2.0	-115.60	359.97	2.90	-112.70
CC1=CC=C(F)C([O-])=C1C(=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725701	0	46	-2.0	-109.33	382.83	2.79	-106.54
O=C(CC1SC(=O)[N-]C1=O)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725776	0	43	-2.0	-98.46	372.91	-1.89	-100.35
O=C(NC1CC2CCC1N(C(=O)C1=CC=C([O-])C(F)=C1F)C2)C1=CC(=O)[N-]O1	REAL300028725802	0	43	-2.0	-102.91	366.24	2.26	-100.65
O=C(NC1CC2CCC1N(C(=O)C1=CC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028725809	0	43	-2.0	-103.39	369.82	3.18	-100.21
CC1=CC(=O)C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300028725840	0	44	-2.0	-101.15	363.83	2.91	-98.24
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028725844	0	48	-2.0	-114.79	396.15	2.53	-112.26
O=C(NC1CC2CCC1N(C(=O)C1=CC=CC(=O)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300028725868	0	43	-2.0	-109.45	365.58	2.66	-106.79
N#CC1=CC=C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300028725901	0	43	-2.0	-107.39	374.51	0.51	-106.88
CN1N=C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300028725956	0	42	-2.0	-103.30	352.60	-0.72	-104.02
[N-]=[N+]=NC1=CC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)=CC=C1[O-]	REAL300028725982	0	45	-2.0	-85.40	379.76	-0.24	-85.64
O=C(NC1CC2CCC1N(C(=O)C1=C(F)C=CC(O)=C1O)C2)C1=CC(=O)[N-]O1	REAL300028726018	0	44	-2.0	-104.06	374.13	0.30	-103.76
O=C(NC1CC2CCC1N(C(=O)C1=C(F)C=CC(O)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028726018	1	44	-2.0	-104.06	374.13	0.30	-103.76
N#CC1=CC=C([O-])C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028726028	0	44	-2.0	-106.74	374.69	3.29	-103.45
O=C(NC1CC2CCC1N(C(=O)C1=CN([O-])C(=O)NC1=O)C2)C1=CC(=O)[N-]O1	REAL300028726130	0	43	-2.0	-98.15	369.89	0.20	-97.95
O=C(NC1CC2CCC1N(C(=O)C1=CC=C(F)C(O)=C1)C2)C1=CC(=O)[N-]O1	REAL300028726189	0	43	-2.0	-103.25	353.24	1.70	-101.55
O=C(NC1CC2CCC1N(C(=O)C1=CC=C(F)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300028726189	1	43	-2.0	-103.25	353.24	1.70	-101.55
O=C(NC1CC2CCC1N(C(=O)C1=CC=C(Cl)C=C1O)C2)C1=CC(=O)[N-]O1	REAL300028726209	0	43	-2.0	-115.33	370.29	3.35	-111.98
O=C(NC1CC2CCC1N(C(=O)C1=CC=C(Cl)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028726209	1	43	-2.0	-115.33	370.29	3.35	-111.98
O=C(NC1CC2CCC1N(C(=O)C1=NC(=O)[N-]C(=O)N1)C2)C1=CC(=O)[N-]O1	REAL300028726287	0	41	-2.0	-95.16	348.18	-3.23	-98.39
O=C(NC1CC2CCC1N(C(=O)C1=NC(=O)NC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300028726287	1	41	-2.0	-91.47	348.61	-2.49	-93.96
O=C(NC1CC2CCC1N(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2)C1=CC(=O)[N-]O1	REAL300028726308	0	45	-2.0	-90.09	369.29	0.68	-89.41
O=C(NC1CC2CCC1N(C(=O)C1=C(Cl)C(=O)[N-]S1)C2)C1=CC(=O)[N-]O1	REAL300028726339	0	39	-2.0	-97.31	350.41	-0.07	-97.38
NC1=NC=C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300028726357	1	43	-2.0	-99.48	362.93	-0.65	-100.13
CC1=C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)[N-]C(=O)C(C#N)=C1	REAL300028726383	0	46	-2.0	-88.19	384.79	2.49	-85.70
O=C(NC1CC2CCC1N(C(=O)C1=CC=C(F)C([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300028726400	0	43	-2.0	-116.44	366.19	2.24	-114.20
COC1=NC(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)=CC(=O)[N-]1	REAL300028726451	0	45	-2.0	-100.77	373.35	-2.27	-103.04
O=C(NC1CC2CCC1N(C(=O)C1=CC=C3N[N-]N=C3C1=O)C2)C1=CC(=O)[N-]O1	REAL300028726452	0	45	-2.0	-94.94	379.34	0.79	-94.15
O=C(NC1CC2CCC1N(C(=O)C1=NC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028726462	0	42	-2.0	-106.77	363.23	3.37	-103.40
O=C(NC1CC2CCC1N(C(=O)C1=CC=C(Cl)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300028726502	0	43	-2.0	-87.15	363.03	2.20	-84.95
O=C(NC1CC2CCC1N(C(=O)C1=CC=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028726512	0	42	-2.0	-102.79	348.51	0.66	-102.13
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)[N-]O1	REAL300028726518	0	39	-2.0	-98.73	330.39	-0.74	-99.47
CC1=C([O-])N=C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300028726544	1	42	-2.0	-98.81	362.01	-0.19	-99.00
O=C(NC1CC2CCC1N(C(=O)C(=O)C1=CC=C([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300028726643	1	45	-2.0	-97.59	372.60	2.31	-95.28
O=C(NC1CC2CCC1N(C(=O)C1=CN=C(C=N[O-])S1)C2)C1=CC(=O)[N-]O1	REAL300028726669	0	42	-2.0	-106.07	368.07	0.19	-105.88
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300028726694	1	42	-2.0	-92.39	364.99	2.71	-89.68
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)NC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300028726719	0	43	-2.0	-93.34	365.57	-2.07	-95.41
CCN1[N-]C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300028726783	0	46	-2.0	-100.10	379.85	1.77	-98.33
CN1[N-]C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300028726805	0	43	-2.0	-98.93	357.70	0.82	-98.11
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726817	0	43	-2.0	-97.42	375.85	-1.21	-98.63
O=C(CC1=CC(=O)N[N-]1)N1CC2CCC1C(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028726965	1	43	-2.0	-107.00	359.45	-0.42	-107.42
O=C(NC1CC2CCC1N(C(=O)C1=CC=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300028726970	1	43	-2.0	-94.57	353.20	1.73	-92.84
O=C(NC1CC2CCC1N(C(=O)C1=CC(F)=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300028727024	0	43	-2.0	-98.63	361.65	2.01	-96.62
O=C(NC1CC2CCC1N(C(=O)C1=CC=NC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028727030	0	42	-2.0	-100.36	365.01	1.14	-99.22
CC1=C(CC(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C(=O)N(C)[N-]1	REAL300028727045	0	49	-2.0	-103.21	399.69	1.79	-101.42
CC1=CN=C(C(=O)N2CC3CCC2C(NC(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300028727083	1	45	-2.0	-112.79	368.47	3.49	-109.30
O=C(NC1CC2CCC1N(C(=O)C1=CC([O-])=CS1)C2)C1=CC(=O)[N-]O1	REAL300028727108	0	40	-2.0	-107.45	341.85	1.00	-106.45
O=C(NC1CC2CCC1N(C(=O)C1=CN([O-])C(=O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300028727124	0	43	-2.0	-101.05	362.96	2.64	-98.41
O=C(NC1CC2CCC1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)NC1=O	REAL300028727159	0	43	-2.0	-96.02	360.88	0.47	-95.55
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028727687	1	45	-2.0	-96.26	383.13	-1.77	-98.03
O=C(CCCN1C(=O)[N-]NC1=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728353	0	46	-2.0	-93.64	394.38	-3.90	-97.54
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728579	0	44	-2.0	-89.39	382.89	-6.82	-96.21
CC(=O)[N-]C1=NC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300028728580	1	42	-2.0	-89.92	377.11	-3.32	-93.24
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028728747	1	45	-2.0	-97.63	388.64	-2.67	-100.30
COC1=C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300028728861	1	43	-2.0	-91.97	371.51	-5.43	-97.40
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028728982	0	38	-2.0	-90.01	338.56	-6.96	-96.97
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028729103	0	40	-2.0	-90.51	352.66	-5.28	-95.79
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300028729992	0	40	-2.0	-100.11	349.63	-0.80	-100.91
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300028730161	0	40	-2.0	-89.67	350.10	-5.71	-95.38
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300028730174	1	36	-2.0	-89.09	321.37	-5.66	-94.75
O=C([N-][C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300028730298	0	35	-2.0	-79.06	326.02	-2.22	-81.28
CCN1[N-]C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028730408	0	43	-2.0	-91.43	371.53	-2.25	-93.68
O=C(CC1=CC(=O)N[N-]1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730416	1	40	-2.0	-96.06	346.85	-4.06	-100.12
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=CC=CC(=S)N1[O-])C1=CC(=O)[N-]O1	REAL300028730440	0	40	-2.0	-118.54	357.50	1.44	-117.10
O=C(CC1SC(=O)[N-]C1=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730455	0	40	-2.0	-85.69	361.03	-5.74	-91.43
CN1N=C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300028730474	0	39	-2.0	-93.21	343.41	-4.47	-97.68
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300028730596	0	38	-2.0	-85.93	331.22	-2.72	-88.65
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=CC=C2N=NN([O-])C2=C1)C1=CC(=O)[N-]O1	REAL300028730636	0	42	-2.0	-94.95	366.20	-2.30	-97.25
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300028730737	0	37	-2.0	-88.80	326.98	-4.89	-93.69
C[PH](C)([O-])C(=O)C(=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028730742	0	42	-2.0	-88.26	359.91	-3.56	-91.82
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300028730791	0	40	-2.0	-112.32	347.33	-0.66	-112.98
CSC1=NC=C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300028730812	0	42	-2.0	-96.06	373.49	-2.85	-98.91
CSC1=NC=C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028730812	1	42	-2.0	-96.06	373.49	-2.85	-98.91
CC1SC(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300028730837	0	39	-2.0	-96.12	352.70	-4.55	-100.67
CC1=C([O-])N=C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)S1	REAL300028730837	1	39	-2.0	-96.12	352.70	-4.55	-100.67
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=CC(=O)[N-]O1	REAL300028730858	1	39	-2.0	-85.46	357.14	-1.58	-87.04
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300028730880	0	40	-2.0	-101.69	349.99	-0.81	-102.50
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300028730940	0	40	-2.0	-115.61	346.39	0.40	-115.21
O=C(C[N-]C(=O)C(F)(F)F)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731112	0	39	-2.0	-86.88	357.11	-4.98	-91.86
NC1=NC([O-])=C(CC(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)S1	REAL300028731113	0	41	-2.0	-103.77	368.33	-5.83	-109.60
O=C(CC1=NC([O-])=CS1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731176	0	39	-2.0	-108.93	352.70	-4.78	-113.71
CCC1=NC=C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028731202	1	44	-2.0	-94.65	372.24	-2.36	-97.01
O=C(CN1N=CC(=O)[N-]C1=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731214	0	41	-2.0	-93.66	362.99	-6.39	-100.05
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=C(Cl)C(=O)[N-]S1)C1=CC(=O)[N-]O1	REAL300028731296	0	36	-2.0	-88.98	344.55	-3.58	-92.56
COCC1=NC=C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300028731407	0	45	-2.0	-95.03	385.17	-4.12	-99.15
COCC1=NC=C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028731407	1	45	-2.0	-95.03	385.17	-4.12	-99.15
CC1=CC(=O)C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300028731512	0	41	-2.0	-92.15	355.71	-1.10	-93.25
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300028731531	0	36	-2.0	-88.53	320.76	-5.97	-94.50
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300028731556	0	41	-2.0	-90.96	364.23	-1.86	-92.82
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300028731556	1	41	-2.0	-90.96	364.23	-1.86	-92.82
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=CN=C(C=N[O-])S1)C1=CC(=O)[N-]O1	REAL300028731697	0	39	-2.0	-99.20	362.38	-3.30	-102.50
CN1[N-]C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028731941	0	40	-2.0	-90.76	349.72	-3.18	-93.94
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028731953	0	40	-2.0	-90.92	363.97	-5.05	-95.97
CC1=C(C(=O)N[C@H]2CCOC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300028731954	1	42	-2.0	-102.35	377.50	-3.77	-106.12
O=C([N-][C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)F	REAL300028732091	1	35	-2.0	-80.26	319.91	-2.35	-82.61
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300028732173	0	38	-2.0	-96.78	340.13	-7.92	-104.70
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300028732173	1	38	-2.0	-85.05	339.93	-6.97	-92.02
O=C(COC1=NC(=O)[N-]C(=O)N1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732246	0	42	-2.0	-93.81	373.88	-8.73	-102.54
O=C(COC1=NC(=O)NC(=O)[N-]1)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732246	1	42	-2.0	-86.72	373.82	-8.68	-95.40
O=C(CN1[N-]C(=O)C=CC1=O)N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732389	0	42	-2.0	-91.48	368.76	-4.29	-95.77
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300028732646	1	39	-2.0	-96.33	338.24	-1.25	-97.58
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028732769	1	45	-2.0	-101.98	388.64	-2.68	-104.66
CC(=O)[N-]C1=NC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300028732781	1	42	-2.0	-88.02	377.10	-3.33	-91.35
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028732815	0	38	-2.0	-88.84	337.75	-6.76	-95.60
COC1=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300028732870	1	43	-2.0	-94.36	372.32	-5.65	-100.01
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028733047	0	40	-2.0	-90.11	351.84	-5.07	-95.18
O=C(CCCN1C(=O)[N-]NC1=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028734074	0	46	-2.0	-89.11	394.38	-3.89	-93.00
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028734292	1	45	-2.0	-93.00	382.99	-1.70	-94.70
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735182	0	44	-2.0	-91.40	382.89	-6.83	-98.23
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300028735192	0	42	-2.0	-92.94	369.94	0.45	-92.49
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC(Cl)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300028735206	1	40	-2.0	-92.48	357.73	0.97	-91.51
N#CC1=CC([O-])=CC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028735238	1	41	-2.0	-90.21	364.02	-0.78	-90.99
NC1=CC=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C([O-])=C1Cl	REAL300028735265	0	42	-2.0	-102.00	370.33	-1.25	-103.25
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=CC(=O)[N-]O1	REAL300028735329	0	42	-2.0	-104.20	367.82	1.51	-102.69
CCC1=NC=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028735362	1	44	-2.0	-91.17	372.14	-2.35	-93.52
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300028735387	1	36	-2.0	-91.89	321.35	-5.67	-97.56
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=CC([O-])=C1[N+](=O)[O-])C1=CC(=O)[N-]O1	REAL300028735469	0	42	-2.0	-103.86	371.00	0.46	-103.40
O=C(C[N-]C(=O)C(F)(F)F)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735487	0	39	-2.0	-88.52	357.12	-5.00	-93.52
NC1=NC([O-])=C(CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)S1	REAL300028735488	0	41	-2.0	-103.36	367.50	-5.63	-108.99
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=C(F)C=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300028735499	0	40	-2.0	-86.27	359.45	-1.21	-87.48
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300028735522	1	40	-2.0	-92.33	348.48	-1.26	-93.59
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300028735531	0	39	-2.0	-90.63	347.30	-2.12	-92.75
N#CC1=CC=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300028735542	1	41	-2.0	-91.67	364.13	-0.91	-92.58
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC(Cl)=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300028735546	0	39	-2.0	-88.83	353.16	-0.93	-89.76
N#CC1=CC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=C(N)[N-]C1=O	REAL300028735553	0	42	-2.0	-89.40	368.45	-3.95	-93.35
O=C(CN1N=CC(=O)[N-]C1=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735570	0	41	-2.0	-93.56	362.18	-6.19	-99.75
O=C(CCC1=NC(=O)[N-]N1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735663	1	42	-2.0	-99.35	362.09	-5.00	-104.35
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300028735686	0	38	-2.0	-84.12	331.21	-2.73	-86.85
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300028735700	0	40	-2.0	-104.33	348.03	0.31	-104.02
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300028735827	1	40	-2.0	-102.04	348.36	-1.29	-103.33
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=CC(=O)[N-]O1	REAL300028735908	0	42	-2.0	-93.32	369.97	0.45	-92.87
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300028735974	0	37	-2.0	-89.64	327.00	-4.87	-94.51
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028735982	0	42	-2.0	-88.88	365.56	-3.58	-92.46
CN1[N-]C(CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028735987	0	43	-2.0	-97.68	370.50	-2.54	-100.22
NC1=CC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=C(F)C([O-])=C1F	REAL300028736042	0	42	-2.0	-103.08	368.64	-3.30	-106.38
COCC1=NC=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028736050	1	45	-2.0	-91.94	385.07	-4.11	-96.05
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC(F)=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300028736080	0	40	-2.0	-96.75	354.42	0.38	-96.37
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300028736111	0	40	-2.0	-104.50	350.01	-0.81	-105.31
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300028736146	0	36	-2.0	-91.04	321.59	-6.18	-97.22
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=C([O-])C=CC=C1Cl)C1=CC(=O)[N-]O1	REAL300028736151	1	40	-2.0	-94.77	362.38	-0.82	-95.59
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300028736159	0	40	-2.0	-104.53	347.26	-0.66	-105.19
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=C(F)C=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300028736197	1	40	-2.0	-92.67	359.28	-1.21	-93.88
NC1=CC(=O)[N-]C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=N1	REAL300028736320	0	40	-2.0	-92.45	350.33	-5.23	-97.68
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC(=O)[N-]O1	REAL300028736390	0	40	-2.0	-89.96	359.96	-0.77	-90.73
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300028736397	1	40	-2.0	-92.49	347.41	0.52	-91.97
CC1=CC=NC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300028736491	1	42	-2.0	-100.80	359.38	-0.76	-101.56
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300028736550	0	40	-2.0	-93.96	363.36	1.02	-92.94
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300028736671	1	39	-2.0	-90.17	338.23	-2.95	-93.12
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=CC(=S)N1[O-])C1=CC(=O)[N-]O1	REAL300028736684	0	40	-2.0	-119.34	358.27	1.23	-118.11
NC1=CC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=CC([O-])=C1Cl	REAL300028736845	1	42	-2.0	-94.04	372.68	-2.86	-96.90
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=C([O-])C(Cl)=N1)C1=CC(=O)[N-]O1	REAL300028736850	0	39	-2.0	-87.42	356.56	-2.39	-89.81
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=C([O-])C=C1Cl)C1=CC(=O)[N-]O1	REAL300028736915	1	40	-2.0	-91.39	356.45	-0.81	-92.20
N#CC1=CC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=C([O-])C=C1N	REAL300028736918	0	43	-2.0	-92.90	374.71	-1.25	-94.15
O=C(CC1=NC([O-])=CS1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736930	0	39	-2.0	-101.74	352.68	-4.76	-106.50
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=C([O-])C=CC=C1F)C1=CC(=O)[N-]O1	REAL300028736952	1	40	-2.0	-95.43	352.89	-1.20	-96.63
O=C(CN1[N-]C(=O)C=CC1=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028736955	0	42	-2.0	-90.92	367.95	-4.07	-94.99
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300028736957	0	40	-2.0	-98.89	348.20	0.33	-98.56
CC1=CC=C(F)C([O-])=C1C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737005	0	43	-2.0	-109.25	373.14	-0.84	-110.09
O=C(CC1SC(=O)[N-]C1=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737095	0	40	-2.0	-89.25	361.23	-5.72	-94.97
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=C([O-])C(F)=C1F)C1=CC(=O)[N-]O1	REAL300028737128	0	40	-2.0	-90.06	353.77	-0.99	-91.05
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028737131	1	41	-2.0	-82.63	363.53	-2.56	-85.19
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300028737137	0	40	-2.0	-99.43	357.84	0.78	-98.65
CC1=CC(=O)C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300028737173	0	41	-2.0	-90.85	354.91	-0.90	-91.75
O=C(C=C([O-])C1=CC=C(O)C=C1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737179	0	45	-2.0	-104.12	385.49	-1.24	-105.36
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300028737211	0	40	-2.0	-116.84	347.15	0.18	-116.66
N#CC1=CC=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028737257	0	40	-2.0	-86.38	356.94	-2.86	-89.24
O=C(COC1=NC(=O)[N-]C(=O)N1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737258	0	42	-2.0	-94.02	373.89	-8.75	-102.77
O=C(COC1=NC(=O)NC(=O)[N-]1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028737258	1	42	-2.0	-85.65	373.02	-8.48	-94.13
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C1=CC(=O)[N-]O1	REAL300028737288	0	42	-2.0	-89.05	368.24	0.28	-88.77
CN1N=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300028737332	0	39	-2.0	-95.64	344.32	-4.70	-100.34
[N-]=[N+]=NC1=CC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=CC=C1[O-]	REAL300028737367	0	42	-2.0	-89.43	371.71	-3.50	-92.93
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=C(F)C=CC(O)=C1O)C1=CC(=O)[N-]O1	REAL300028737410	0	41	-2.0	-95.90	363.67	-3.11	-99.01
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=C(F)C=CC(O)=C1[O-])C1=CC(=O)[N-]O1	REAL300028737410	1	41	-2.0	-95.90	363.67	-3.11	-99.01
N#CC1=CC=C([O-])C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028737421	0	41	-2.0	-94.05	362.63	0.68	-93.37
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CN([O-])C(=O)NC1=O)C1=CC(=O)[N-]O1	REAL300028737553	0	40	-2.0	-90.24	352.52	-3.18	-93.42
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300028737590	0	40	-2.0	-93.43	364.35	0.82	-92.61
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300028737622	1	40	-2.0	-95.72	350.20	-1.29	-97.01
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=CC(=O)[N-]O1	REAL300028737631	1	45	-2.0	-110.59	382.57	0.73	-109.86
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=CC(=O)[N-]O1	REAL300028737634	0	42	-2.0	-95.25	369.96	0.93	-94.32
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300028737637	0	42	-2.0	-90.56	369.98	0.92	-89.64
O=C([N-][C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300028737639	0	35	-2.0	-82.19	324.91	-2.53	-84.72
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=C(Cl)C=C1[O-])C1=CC(=O)[N-]O1	REAL300028737650	1	40	-2.0	-98.76	358.52	0.78	-97.98
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300028737671	0	42	-2.0	-87.78	372.18	-0.71	-88.49
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300028737754	0	38	-2.0	-93.71	340.12	-7.95	-101.66
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300028737754	1	38	-2.0	-86.33	339.94	-6.96	-93.29
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=C2N=NN([O-])C2=C1)C1=CC(=O)[N-]O1	REAL300028737788	0	42	-2.0	-94.22	365.39	-2.08	-96.30
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC(=O)[N-]O1	REAL300028737831	1	45	-2.0	-106.12	384.31	0.89	-105.23
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=C(Cl)C(=O)[N-]S1)C1=CC(=O)[N-]O1	REAL300028737832	0	36	-2.0	-90.01	344.56	-3.58	-93.59
NC1=NC=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028737856	1	40	-2.0	-91.63	345.45	-4.00	-95.63
CC1=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300028737888	0	43	-2.0	-88.84	376.94	-2.20	-91.04
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=C(F)C([O-])=C1F)C1=CC(=O)[N-]O1	REAL300028737910	0	40	-2.0	-95.61	353.73	-1.02	-96.63
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC(=O)[N-]O1	REAL300028737969	0	40	-2.0	-88.48	365.34	-0.50	-88.98
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300028737975	1	41	-2.0	-89.23	364.18	-1.87	-91.10
COC1=NC(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300028737981	0	42	-2.0	-88.28	366.91	-6.67	-94.95
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=C2N[N-]N=C2C1=O)C1=CC(=O)[N-]O1	REAL300028737984	0	42	-2.0	-96.44	362.31	-1.40	-97.84
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=NC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300028737997	0	39	-2.0	-96.84	355.25	-0.94	-97.78
O=C(CC1=CC=C([O-])C(Cl)=C1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738003	1	43	-2.0	-93.50	383.83	0.06	-93.44
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=C(Cl)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300028738044	0	40	-2.0	-91.96	360.00	-0.80	-92.76
O=C([N-][C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)F	REAL300028738046	1	35	-2.0	-84.72	318.85	-2.64	-87.36
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300028738055	1	39	-2.0	-98.78	337.10	-1.56	-100.34
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300028738065	0	36	-2.0	-91.89	320.94	-4.19	-96.08
CC1=C([O-])N=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)S1	REAL300028738100	1	39	-2.0	-100.23	352.98	-4.57	-104.80
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=C([O-])C=CC2=CC=CC=C21)C1=CC(=O)[N-]O1	REAL300028738151	1	46	-2.0	-109.40	392.65	0.74	-108.66
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1=CC(=O)[N-]O1	REAL300028738171	1	46	-2.0	-104.95	386.74	2.59	-102.36
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC2=CC=CC=C2C=C1[O-])C1=CC(=O)[N-]O1	REAL300028738179	1	46	-2.0	-107.20	387.85	2.54	-104.66
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C([O-])C=C1	REAL300028738231	1	42	-2.0	-90.83	364.32	-1.50	-92.33
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CN=C(C=N[O-])S1)C1=CC(=O)[N-]O1	REAL300028738268	0	39	-2.0	-99.75	362.36	-3.30	-103.05
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=CC(=O)[N-]O1	REAL300028738303	1	39	-2.0	-86.31	357.14	-1.59	-87.90
CSC1=NC=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028738329	1	42	-2.0	-92.18	373.39	-2.85	-95.03
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300028738337	0	40	-2.0	-88.67	350.11	-5.71	-94.38
CCN1[N-]C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028738418	0	43	-2.0	-92.96	371.54	-2.23	-95.19
CN1[N-]C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028738440	0	40	-2.0	-92.09	349.73	-3.17	-95.26
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738457	0	40	-2.0	-92.27	363.97	-5.05	-97.32
CC1=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300028738459	1	42	-2.0	-99.76	375.95	-3.39	-103.15
O=C(CC1=CC(=O)N[N-]1)N[C@@H]1COCC[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028738636	1	40	-2.0	-95.51	347.67	-4.26	-99.77
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300028738642	1	40	-2.0	-93.56	350.17	-1.25	-94.81
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC(F)=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300028738704	0	40	-2.0	-93.78	356.37	-1.19	-94.97
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC=NC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300028738710	0	39	-2.0	-96.95	353.29	-1.10	-98.05
CC1=C(CC(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300028738731	0	46	-2.0	-94.25	389.63	-1.63	-95.88
CC1=CN=C(C(=O)N[C@@H]2COCC[C@@H]2NC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300028738781	1	42	-2.0	-102.39	360.50	-0.82	-103.21
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=C(O)C=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300028738796	0	41	-2.0	-101.62	374.16	-3.70	-105.32
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300028738817	0	37	-2.0	-97.28	336.21	-2.42	-99.70
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300028738839	0	40	-2.0	-103.70	349.63	-0.82	-104.52
O=C(N[C@H]1CCOC[C@H]1NC(=O)C1=CC(F)=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300028738845	0	40	-2.0	-93.30	364.23	0.86	-92.44
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=CN([O-])C(=O)NC1=O)C1=CC(=O)[N-]O1	REAL300028738897	0	40	-2.0	-90.23	352.58	-3.17	-93.40
O=C(N[C@@H]1COCC[C@@H]1NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028738932	1	41	-2.0	-79.97	362.62	-2.34	-82.31
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028739488	1	44	-2.0	-93.43	378.50	-0.38	-93.81
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028739795	0	44	-2.0	-80.07	383.55	-2.00	-82.07
O=C(CCCN1C(=O)[N-]NC1=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740345	0	45	-2.0	-92.90	389.49	-2.64	-95.54
CC(C)CN1[N-]C(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028740542	0	51	-2.0	-99.07	423.94	1.15	-97.92
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740636	0	43	-2.0	-91.13	377.46	-5.40	-96.53
CC(=O)[N-]C1=NC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300028740637	1	41	-2.0	-85.28	371.41	-1.85	-87.13
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028740851	1	44	-2.0	-94.10	384.11	-1.35	-95.45
COC1=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300028740996	1	42	-2.0	-91.76	366.59	-4.19	-95.95
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028741147	0	37	-2.0	-91.81	332.86	-5.50	-97.31
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028741289	0	39	-2.0	-95.52	348.16	-3.95	-99.47
CC1=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C(C)C)=N1	REAL300028741332	1	49	-2.0	-90.54	403.75	0.11	-90.43
O=C(CN1[N-]C=C2C1=NC=NC2=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028741470	0	43	-2.0	-95.19	380.53	-0.94	-96.13
O=C([N-][C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)C(F)F	REAL300028742367	0	37	-2.0	-87.87	346.75	-0.52	-88.39
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300028742384	0	39	-2.0	-103.17	345.12	0.52	-102.65
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300028742591	0	39	-2.0	-86.47	344.40	-4.28	-90.75
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300028742607	1	35	-2.0	-88.34	316.47	-4.42	-92.76
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028742670	1	47	-2.0	-92.96	394.36	0.17	-92.79
O=C([N-][C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300028742758	0	34	-2.0	-82.44	320.30	-1.15	-83.59
CCN1[N-]C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028742891	0	42	-2.0	-91.19	365.83	-0.77	-91.96
O=C(CC1=CC(=O)N[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742902	1	39	-2.0	-95.71	342.23	-2.83	-98.54
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=CC(=S)N1[O-])C1=CC(=O)[N-]O1	REAL300028742929	0	39	-2.0	-121.43	352.49	2.69	-118.74
O=C(CC1SC(=O)[N-]C1=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028742948	0	39	-2.0	-85.83	355.58	-4.31	-90.14
CN1N=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300028742968	0	38	-2.0	-93.98	338.61	-3.21	-97.19
CC1=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)NC(C2CC2)=N1	REAL300028743100	0	47	-2.0	-91.45	393.52	0.35	-91.10
CC1=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C2CC2)=N1	REAL300028743100	1	47	-2.0	-91.45	393.52	0.35	-91.10
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300028743116	0	37	-2.0	-83.32	325.76	-1.31	-84.63
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C2N=NN([O-])C2=C1)C1=CC(=O)[N-]O1	REAL300028743160	0	41	-2.0	-100.37	360.50	-0.84	-101.21
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300028743287	0	36	-2.0	-87.64	321.29	-3.42	-91.06
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743292	0	41	-2.0	-88.33	354.23	-2.12	-90.45
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300028743346	0	39	-2.0	-105.25	342.80	0.67	-104.58
CSC1=NC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300028743372	0	41	-2.0	-92.72	368.77	-1.51	-94.23
CSC1=NC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028743372	1	41	-2.0	-92.72	368.77	-1.51	-94.23
CC1SC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300028743400	0	38	-2.0	-94.82	348.06	-3.31	-98.13
CC1=C([O-])N=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)S1	REAL300028743400	1	38	-2.0	-94.82	348.06	-3.31	-98.13
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)C=C(Cl)N1)C1=CC(=O)[N-]O1	REAL300028743424	0	38	-2.0	-85.80	352.64	-0.26	-86.06
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=CC(=O)[N-]O1	REAL300028743424	1	38	-2.0	-85.80	352.64	-0.26	-86.06
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300028743452	0	39	-2.0	-103.51	344.30	0.64	-102.87
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300028743527	0	39	-2.0	-118.39	341.38	1.65	-116.74
NC1=NC([O-])=C(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)S1	REAL300028743746	0	40	-2.0	-103.08	362.62	-4.37	-107.45
O=C(CC1=NC([O-])=CS1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743825	0	38	-2.0	-103.64	348.07	-3.55	-107.19
CCC1=NC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028743857	1	43	-2.0	-91.73	367.53	-1.04	-92.77
O=C(CN1N=CC(=O)[N-]C1=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028743871	0	40	-2.0	-95.57	357.32	-4.95	-100.52
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=C(Cl)C(=O)[N-]S1)C1=CC(=O)[N-]O1	REAL300028743971	0	35	-2.0	-88.92	339.10	-2.17	-91.09
COCC1=NC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300028744111	0	44	-2.0	-92.29	380.60	-2.80	-95.09
COCC1=NC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028744111	1	44	-2.0	-92.29	380.60	-2.80	-95.09
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CN=C(CC2CC2)NC1=O)C1=CC(=O)[N-]O1	REAL300028744126	0	47	-2.0	-91.78	398.44	0.56	-91.22
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CN=C(CC2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028744126	1	47	-2.0	-91.78	398.44	0.56	-91.22
CC1=CC(=O)C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300028744234	0	40	-2.0	-92.37	350.01	0.36	-92.01
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300028744257	0	35	-2.0	-90.45	317.06	-4.85	-95.30
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300028744287	0	40	-2.0	-88.55	359.65	-0.53	-89.08
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300028744287	1	40	-2.0	-88.55	359.65	-0.53	-89.08
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CN=C(C=N[O-])S1)C1=CC(=O)[N-]O1	REAL300028744450	0	38	-2.0	-98.19	356.67	-1.84	-100.03
CN1[N-]C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028744736	0	39	-2.0	-90.38	344.10	-1.71	-92.09
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O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028744750	0	39	-2.0	-91.69	359.47	-3.73	-95.42
CC1=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=S)NC(=O)N1	REAL300028744751	0	41	-2.0	-95.11	371.06	-2.15	-97.26
CC1=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300028744751	1	41	-2.0	-95.11	371.06	-2.15	-97.26
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300028745016	0	37	-2.0	-84.67	335.07	-5.73	-90.40
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O=C(COC1=NC(=O)[N-]C(=O)N1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028745116	0	41	-2.0	-87.50	369.32	-7.36	-94.86
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CC(=O)[N-]C1=NC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300028745688	1	41	-2.0	-85.28	371.41	-1.85	-87.13
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COC1=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)NC(=O)NC1=O	REAL300028745799	0	42	-2.0	-91.76	366.59	-4.19	-95.95
COC1=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300028745799	1	42	-2.0	-91.76	366.59	-4.19	-95.95
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O=C(CCCN1C(=O)[N-]NC1=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028747280	0	45	-2.0	-92.90	389.49	-2.64	-95.54
CC(C)CN1[N-]C(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028747491	0	51	-2.0	-99.07	423.94	1.15	-97.92
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CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028747805	0	44	-2.0	-80.07	383.55	-2.00	-82.07
CC1=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C(C)C)=N1	REAL300028748360	1	49	-2.0	-90.54	403.75	0.11	-90.43
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O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(Cl)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300028748735	1	39	-2.0	-97.36	353.10	2.16	-95.20
N#CC1=CC([O-])=CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028748776	1	40	-2.0	-87.32	359.39	0.42	-86.90
NC1=CC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C([O-])=C1Cl	REAL300028748813	0	41	-2.0	-101.53	365.97	0.06	-101.47
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CCC1=NC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028748924	1	43	-2.0	-91.73	367.53	-1.04	-92.77
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300028748954	1	35	-2.0	-88.34	316.47	-4.42	-92.76
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O=C(C[N-]C(=O)C(F)(F)F)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749071	0	38	-2.0	-87.23	351.41	-3.53	-90.76
NC1=NC([O-])=C(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)S1	REAL300028749072	0	40	-2.0	-103.08	362.62	-4.37	-107.45
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=C(F)C=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300028749085	0	39	-2.0	-86.17	354.55	0.06	-86.11
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300028749118	1	39	-2.0	-91.75	343.99	0.06	-91.69
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC([O-])=C2SC=CC2=C1)C1=CC(=O)[N-]O1	REAL300028749129	1	42	-2.0	-94.96	375.19	1.44	-93.52
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300028749132	0	38	-2.0	-87.89	341.61	-0.65	-88.54
N#CC1=CC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300028749147	1	40	-2.0	-94.87	358.42	0.54	-94.33
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(Cl)=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300028749153	0	38	-2.0	-93.29	348.26	0.34	-92.95
N#CC1=CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=C(N)[N-]C1=O	REAL300028749162	0	41	-2.0	-88.31	363.48	-2.65	-90.96
O=C([N-][C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)C(F)F	REAL300028749164	0	37	-2.0	-87.87	346.75	-0.52	-88.39
O=C(CN1N=CC(=O)[N-]C1=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749183	0	40	-2.0	-95.57	357.32	-4.95	-100.52
O=C(CCC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749300	0	41	-2.0	-91.49	357.58	-3.27	-94.76
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300028749329	0	37	-2.0	-83.32	325.76	-1.31	-84.63
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300028749344	0	39	-2.0	-104.88	342.59	1.71	-103.17
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300028749502	1	39	-2.0	-101.96	342.91	0.11	-101.85
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=CC(=O)[N-]O1	REAL300028749600	0	41	-2.0	-89.91	364.26	1.90	-88.01
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300028749679	0	36	-2.0	-87.64	321.29	-3.42	-91.06
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749687	0	41	-2.0	-88.33	354.23	-2.12	-90.45
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028749722	0	44	-2.0	-102.76	389.06	1.54	-101.22
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CN=C(CC2CC2)NC1=O)C1=CC(=O)[N-]O1	REAL300028749746	0	47	-2.0	-91.78	398.44	0.56	-91.22
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CN=C(CC2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028749746	1	47	-2.0	-91.78	398.44	0.56	-91.22
COCC1=NC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300028749772	0	44	-2.0	-92.29	380.60	-2.80	-95.09
COCC1=NC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028749772	1	44	-2.0	-92.29	380.60	-2.80	-95.09
CC1=CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=CC([N+](=O)[O-])=C1[O-]	REAL300028749782	0	44	-2.0	-89.03	384.29	2.63	-86.40
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300028749848	0	39	-2.0	-103.51	344.30	0.64	-102.87
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=CC(=O)[N-]O1	REAL300028749889	0	39	-2.0	-94.96	356.32	0.18	-94.78
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300028749891	0	35	-2.0	-90.45	317.06	-4.85	-95.30
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=C([O-])C=CC=C1Cl)C1=CC(=O)[N-]O1	REAL300028749896	1	39	-2.0	-93.67	357.77	0.40	-93.27
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300028749906	0	39	-2.0	-105.25	342.80	0.67	-104.58
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=C(F)C=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300028749955	1	39	-2.0	-96.30	354.39	0.03	-96.27
CC1=NC2=NC=C(C(=O)N[C@@H]3CCC[C@H]3NC(=O)C3=CC(=O)[N-]O3)C(=O)N2[N-]1	REAL300028750050	0	43	-2.0	-90.58	374.83	1.72	-88.86
NC1=CC(=O)[N-]C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=N1	REAL300028750100	0	39	-2.0	-96.22	345.45	-3.99	-100.21
N#CC1=CN(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C1=O	REAL300028750116	0	42	-2.0	-104.37	382.91	-2.80	-107.17
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC(=O)[N-]O1	REAL300028750193	0	39	-2.0	-87.81	354.25	0.69	-87.12
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300028750202	1	39	-2.0	-96.80	342.78	1.71	-95.09
CC1=CC=NC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300028750318	1	41	-2.0	-101.11	353.66	0.69	-100.42
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300028750387	0	39	-2.0	-101.17	358.48	2.27	-98.90
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300028750528	1	38	-2.0	-93.03	333.31	-1.71	-94.74
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=CC(=S)N1[O-])C1=CC(=O)[N-]O1	REAL300028750544	0	39	-2.0	-121.43	352.49	2.69	-118.74
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NC1=CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=CC([O-])=C1Cl	REAL300028750738	1	41	-2.0	-92.67	367.24	-1.48	-94.15
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C([O-])C(Cl)=N1)C1=CC(=O)[N-]O1	REAL300028750743	0	38	-2.0	-84.98	351.65	-1.14	-86.12
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750821	0	43	-2.0	-93.74	375.17	0.01	-93.73
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C([O-])C=C1Cl)C1=CC(=O)[N-]O1	REAL300028750828	1	39	-2.0	-90.68	351.96	0.52	-90.16
N#CC1=CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=C([O-])C=C1N	REAL300028750831	0	42	-2.0	-96.35	369.83	-0.01	-96.36
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O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=C([O-])C=CC=C1F)C1=CC(=O)[N-]O1	REAL300028750874	1	39	-2.0	-94.90	348.27	0.02	-94.88
O=C(CN1[N-]C(=O)C=CC1=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750878	0	41	-2.0	-95.83	363.08	-2.84	-98.67
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300028750883	0	39	-2.0	-98.89	343.70	1.65	-97.24
CC1=CC=C(F)C([O-])=C1C(=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028750943	0	42	-2.0	-107.81	367.47	0.61	-107.20
O=C(CC1SC(=O)[N-]C1=O)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751056	0	39	-2.0	-85.83	355.58	-4.31	-90.14
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C([O-])C(F)=C1F)C1=CC(=O)[N-]O1	REAL300028751090	0	39	-2.0	-92.81	348.89	0.26	-92.55
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028751094	1	40	-2.0	-82.33	358.00	-1.15	-83.48
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300028751101	0	39	-2.0	-99.95	352.40	2.18	-97.77
CC1=CC(=O)C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300028751145	0	40	-2.0	-92.37	350.01	0.36	-92.01
O=C(C=C([O-])C1=CC=C(O)C=C1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751150	0	44	-2.0	-104.69	379.80	0.21	-104.48
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300028751189	0	39	-2.0	-118.39	341.38	1.65	-116.74
N#CC1=CC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028751239	0	39	-2.0	-86.24	352.55	-1.53	-87.77
O=C(COC1=NC(=O)[N-]C(=O)N1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751240	0	41	-2.0	-93.34	369.38	-7.41	-100.75
O=C(COC1=NC(=O)NC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028751240	1	41	-2.0	-87.50	369.32	-7.36	-94.86
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C1=CC(=O)[N-]O1	REAL300028751272	0	41	-2.0	-87.47	365.24	1.39	-86.08
CN1N=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300028751322	0	38	-2.0	-93.98	338.61	-3.21	-97.19
[N-]=[N+]=NC1=CC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=CC=C1[O-]	REAL300028751369	0	41	-2.0	-88.20	366.00	-2.03	-90.23
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=C(F)C=CC(O)=C1O)C1=CC(=O)[N-]O1	REAL300028751416	0	40	-2.0	-102.29	358.75	-1.87	-104.16
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=C(F)C=CC(O)=C1[O-])C1=CC(=O)[N-]O1	REAL300028751416	1	40	-2.0	-102.29	358.75	-1.87	-104.16
N#CC1=CC=C([O-])C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028751431	0	40	-2.0	-93.80	358.14	2.00	-91.80
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CN([O-])C(=O)NC1=O)C1=CC(=O)[N-]O1	REAL300028751594	0	39	-2.0	-89.92	348.02	-1.84	-91.76
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300028751638	0	39	-2.0	-92.75	360.00	2.14	-90.61
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300028751678	1	39	-2.0	-92.26	344.50	0.15	-92.11
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=CC(=O)[N-]O1	REAL300028751688	1	44	-2.0	-111.35	377.14	2.12	-109.23
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=CC(=O)[N-]O1	REAL300028751692	0	41	-2.0	-95.39	365.47	2.25	-93.14
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300028751696	0	41	-2.0	-90.39	364.54	2.32	-88.07
O=C([N-][C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300028751698	0	34	-2.0	-82.44	320.30	-1.15	-83.59
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(Cl)C=C1[O-])C1=CC(=O)[N-]O1	REAL300028751710	1	39	-2.0	-98.82	354.03	2.10	-96.72
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300028751742	0	41	-2.0	-87.18	367.66	0.62	-86.56
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300028751851	0	37	-2.0	-90.07	334.41	-6.47	-96.54
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300028751851	1	37	-2.0	-84.67	335.07	-5.73	-90.40
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C2N=NN([O-])C2=C1)C1=CC(=O)[N-]O1	REAL300028751901	0	41	-2.0	-100.37	360.50	-0.84	-101.21
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC(=O)[N-]O1	REAL300028751950	1	44	-2.0	-106.51	379.77	2.20	-104.31
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=C(Cl)C(=O)[N-]S1)C1=CC(=O)[N-]O1	REAL300028751951	0	35	-2.0	-88.92	339.10	-2.17	-91.09
NC1=NC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028751980	1	39	-2.0	-92.19	340.84	-2.68	-94.87
CC1=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300028752023	0	42	-2.0	-85.41	371.07	-0.76	-86.17
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(F)C([O-])=C1F)C1=CC(=O)[N-]O1	REAL300028752052	0	39	-2.0	-101.78	348.85	0.23	-101.55
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC(=O)[N-]O1	REAL300028752125	0	39	-2.0	-88.63	360.48	0.74	-87.89
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300028752134	1	40	-2.0	-88.55	359.65	-0.53	-89.08
COC1=NC(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300028752141	0	41	-2.0	-91.54	362.01	-5.41	-96.95
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C2N[N-]N=C2C1=O)C1=CC(=O)[N-]O1	REAL300028752144	0	41	-2.0	-96.74	357.93	-0.07	-96.81
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=NC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300028752157	0	38	-2.0	-97.06	349.54	0.53	-96.53
O=C(CC1=CC=C([O-])C(Cl)=C1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752164	1	42	-2.0	-98.27	379.23	1.28	-96.99
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(Cl)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300028752216	0	39	-2.0	-88.68	354.29	0.65	-88.03
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300028752228	1	38	-2.0	-98.61	332.57	-0.22	-98.83
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300028752238	0	35	-2.0	-91.21	316.03	-2.94	-94.15
CC1=C([O-])N=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)S1	REAL300028752289	1	38	-2.0	-94.82	348.06	-3.31	-98.13
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=C([O-])C=CC2=CC=CC=C21)C1=CC(=O)[N-]O1	REAL300028752351	1	45	-2.0	-99.94	387.22	2.15	-97.79
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1=CC(=O)[N-]O1	REAL300028752370	1	45	-2.0	-105.79	381.05	4.04	-101.75
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC2=CC=CC=C2C=C1[O-])C1=CC(=O)[N-]O1	REAL300028752379	1	45	-2.0	-108.30	382.15	3.99	-104.31
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C([O-])C=C1	REAL300028752438	1	41	-2.0	-90.29	358.86	-0.09	-90.38
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CN=C(C=N[O-])S1)C1=CC(=O)[N-]O1	REAL300028752478	0	38	-2.0	-98.19	356.67	-1.84	-100.03
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=CC(=O)[N-]O1	REAL300028752516	1	38	-2.0	-85.80	352.64	-0.26	-86.06
CSC1=NC=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028752547	1	41	-2.0	-92.72	368.77	-1.51	-94.23
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300028752557	0	39	-2.0	-86.47	344.40	-4.28	-90.75
CCN1[N-]C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028752655	0	42	-2.0	-91.19	365.83	-0.77	-91.96
O=C(CNC(=O)C1=NC=CC=C1[O-])N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752667	1	45	-2.0	-101.75	393.51	-1.62	-103.37
CN1[N-]C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028752681	0	39	-2.0	-90.38	344.10	-1.71	-92.09
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=CC2=C1C(=O)[N-]C2=O)C1=CC(=O)[N-]O1	REAL300028752695	1	42	-2.0	-105.39	366.82	-1.31	-106.70
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752700	0	39	-2.0	-91.69	359.47	-3.73	-95.42
CC1=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300028752702	1	41	-2.0	-95.11	371.06	-2.15	-97.26
CC1=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C2CC2)=N1	REAL300028752713	1	47	-2.0	-91.45	393.52	0.35	-91.10
O=C(CC1=CC(=O)N[N-]1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028752908	1	39	-2.0	-95.71	342.23	-2.83	-98.54
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300028752915	1	39	-2.0	-91.20	344.46	0.19	-91.01
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(F)=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300028752989	0	39	-2.0	-93.09	351.87	0.15	-92.94
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC=NC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300028752995	0	38	-2.0	-96.41	348.77	0.23	-96.18
CC1=C(CC(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300028753020	0	45	-2.0	-100.82	385.95	-0.51	-101.33
O=C(CCC(=O)C1=CC=C([O-])C=C1)N[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028753032	1	47	-2.0	-91.94	404.39	1.44	-90.50
CC1=CN=C(C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300028753076	1	41	-2.0	-102.62	354.79	0.64	-101.98
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=C(O)C=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300028753095	0	40	-2.0	-91.59	368.47	-2.23	-93.82
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300028753121	0	36	-2.0	-96.48	330.77	-1.01	-97.49
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300028753149	0	39	-2.0	-103.17	345.12	0.52	-102.65
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC(F)=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300028753157	0	39	-2.0	-93.21	359.73	2.17	-91.04
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CN([O-])C(=O)NC1=O)C1=CC(=O)[N-]O1	REAL300028753215	0	39	-2.0	-89.92	348.02	-1.84	-91.76
O=C(N[C@@H]1CCC[C@H]1NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028753255	1	40	-2.0	-82.33	358.00	-1.15	-83.48
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CN=C(C2CC2)[N-]C1=O	REAL300028753731	1	48	-2.0	-85.74	390.51	1.27	-84.47
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1=NNC(=O)[N-]C1=O	REAL300028754535	0	41	-2.0	-88.81	347.32	-3.77	-92.58
O=C(CN1C(=O)[N-]NC1=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028754617	0	43	-2.0	-90.93	361.58	-2.02	-92.95
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CN([O-])C(=O)C=C1	REAL300028755209	0	43	-2.0	-100.22	358.33	2.33	-97.89
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC(=O)NC([O-])=C1	REAL300028755319	0	43	-2.0	-82.53	357.41	-2.76	-85.29
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1=COC(=O)[N-]1	REAL300028755330	1	39	-2.0	-87.64	330.88	-2.74	-90.38
CCN1[N-]C(C(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)=CC1=O	REAL300028755497	0	46	-2.0	-86.33	378.85	0.73	-85.60
O=C(CC1=CC(=O)N[N-]1)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028755504	1	43	-2.0	-92.43	356.26	-1.12	-93.55
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC=CC(=S)N1[O-]	REAL300028755520	0	43	-2.0	-114.83	367.10	4.40	-110.43
O=C(CC1SC(=O)[N-]C1=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028755530	0	43	-2.0	-83.88	368.78	-2.75	-86.63
CN1N=C(C(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)[N-]C1=O	REAL300028755544	0	42	-2.0	-91.17	353.23	-1.42	-92.59
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1=C[N-]N=CC1=O	REAL300028755631	0	41	-2.0	-77.40	338.76	0.25	-77.15
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC=C2N=NN([O-])C2=C1	REAL300028755664	0	45	-2.0	-96.73	374.91	0.81	-95.92
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC(=O)N[N-]1	REAL300028755736	0	40	-2.0	-83.03	334.52	-1.92	-84.95
C[PH](C)([O-])C(=O)C(=O)N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028755740	0	45	-2.0	-85.91	368.83	-0.43	-86.34
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC=CN([O-])C1=O	REAL300028755773	0	43	-2.0	-97.87	354.79	2.32	-95.55
CC1SC(C(=O)N[C@]23CCC[C@H]2N(C(=O)C2=CC(=O)[N-]O2)CC3)=NC1=O	REAL300028755803	0	42	-2.0	-94.65	362.26	-1.63	-96.28
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NC1=NC([O-])=C(CC(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)S1	REAL300028758974	0	44	-2.0	-101.15	379.98	-2.58	-103.73
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N#CC1=CC=C(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C=C1[O-]	REAL300028759009	1	44	-2.0	-89.82	372.60	2.07	-87.75
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N#CC1=CC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)=C(N)[N-]C1=O	REAL300028759016	0	45	-2.0	-83.62	385.27	-1.48	-85.10
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CC1=CC=C([O-])C(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)=N1	REAL300028759094	1	45	-2.0	-98.07	367.87	2.70	-95.37
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=C[N-]N=CC1=O)CC2)C1=CC(=O)[N-]O1	REAL300028759113	0	41	-2.0	-84.89	347.82	0.04	-84.85
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O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC=CC([O-])=C1F)CC2)C1=CC(=O)[N-]O1	REAL300028759214	1	43	-2.0	-99.00	356.40	1.40	-97.60
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C[PH](C)([O-])C(=O)C(=O)N1CC[C@@]2(NC(=O)C3=CC(=O)[N-]O3)CCC[C@@H]12	REAL300028759324	0	45	-2.0	-86.17	374.40	-0.19	-86.36
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(=O)N([O-])C=C1)CC2)C1=CC(=O)[N-]O1	REAL300028759415	0	43	-2.0	-101.27	366.36	2.46	-98.81
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O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC(F)=CC=C1[O-])CC2)C1=CC(=O)[N-]O1	REAL300028759607	1	43	-2.0	-92.51	358.21	2.83	-89.68
CC1=CC=NC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)=C1O	REAL300028759669	0	45	-2.0	-97.21	366.62	2.82	-94.39
CC1=CC=NC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)=C1[O-]	REAL300028759669	1	45	-2.0	-97.21	366.62	2.82	-94.39
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CN=CC(O)=C1)CC2)C1=CC(=O)[N-]O1	REAL300028759784	0	42	-2.0	-89.31	346.01	-0.53	-89.84
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CN=CC([O-])=C1)CC2)C1=CC(=O)[N-]O1	REAL300028759784	1	42	-2.0	-89.31	346.01	-0.53	-89.84
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O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC=C([O-])C(Cl)=N1)CC2)C1=CC(=O)[N-]O1	REAL300028759907	0	42	-2.0	-84.11	365.67	1.10	-83.01
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N#CC1=CC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)=C([O-])C=C1N	REAL300028759952	0	46	-2.0	-92.78	384.11	0.81	-91.97
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CC1=CC(=O)C(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)=N[N-]1	REAL300028760123	0	44	-2.0	-88.46	363.01	2.20	-86.26
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O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC=CC(=O)N1[O-])CC2)C1=CC(=O)[N-]O1	REAL300028760145	0	43	-2.0	-111.60	364.57	1.95	-109.65
N#CC1=CC=C(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C(=O)[N-]1	REAL300028760168	0	43	-2.0	-90.11	374.70	-0.10	-90.21
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[N-]=[N+]=NC1=CC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)=CC=C1[O-]	REAL300028760241	0	45	-2.0	-84.71	378.76	-0.82	-85.53
N#CC1=CC=C([O-])C(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)=C1	REAL300028760277	0	44	-2.0	-90.15	372.76	3.20	-86.95
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O=C(N[C@]12CCC[C@H]1N(C(=O)C1=C(Cl)C(=O)[N-]S1)CC2)C1=CC(=O)[N-]O1	REAL300028760544	0	39	-2.0	-86.63	351.98	-0.75	-87.38
NC1=NC=C(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)C(=O)[N-]1	REAL300028760558	1	43	-2.0	-92.16	363.98	-1.01	-93.17
CC1=C(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)[N-]C(=O)C(C#N)=C1	REAL300028760581	0	46	-2.0	-85.33	384.84	1.87	-83.46
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC=C(F)C([O-])=C1F)CC2)C1=CC(=O)[N-]O1	REAL300028760593	0	43	-2.0	-99.61	356.04	1.36	-98.25
COC1=NC(C(=O)N2CC[C@@]3(NC(=O)C4=CC(=O)[N-]O4)CCC[C@@H]23)=CC(=O)[N-]1	REAL300028760641	0	45	-2.0	-89.06	373.45	-2.89	-91.95
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=CC=C3N[N-]N=C3C1=O)CC2)C1=CC(=O)[N-]O1	REAL300028760642	0	45	-2.0	-88.52	378.00	0.11	-88.41
O=C(N[C@]12CCC[C@H]1N(C(=O)C1=NC=CC(Cl)=C1[O-])CC2)C1=CC(=O)[N-]O1	REAL300028760648	0	42	-2.0	-94.76	363.58	2.93	-91.83
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O=C(NC1CCC2CCN(C(=O)C3=CC([O-])=CS3)C1C2)C1=CC(=O)[N-]O1	REAL300028766937	0	43	-2.0	-100.04	353.17	1.00	-99.04
O=C(NC1CCC2CCN(C(=O)C3=CN([O-])C(=O)C=C3)C1C2)C1=CC(=O)[N-]O1	REAL300028766950	0	46	-2.0	-103.39	368.89	2.67	-100.72
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C2CC2)[N-]C1=O	REAL300028767500	1	45	-2.0	-91.22	379.00	1.10	-90.12
O=C(CCCN1C(=O)[N-]NC1=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768266	0	46	-2.0	-101.23	390.85	-1.22	-102.45
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768525	0	44	-2.0	-97.12	378.82	-3.95	-101.07
CC(=O)[N-]C1=NC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=CS1	REAL300028768526	1	42	-2.0	-87.39	372.83	-0.44	-87.83
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028768716	1	45	-2.0	-98.85	384.58	0.19	-98.66
COC1=C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)NC(=O)[N-]C1=O	REAL300028768852	1	43	-2.0	-95.07	367.97	-2.78	-97.85
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NNC(=O)[N-]C1=O	REAL300028768993	0	38	-2.0	-97.48	334.36	-4.10	-101.58
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028769126	0	40	-2.0	-100.55	348.86	-2.38	-102.93
O=C(CN1[N-]C=C2C1=NC=NC2=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028769293	0	44	-2.0	-103.47	381.88	0.48	-102.99
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=N[N-]C2=CC=CC=C2C1=O	REAL300028770003	0	44	-2.0	-100.19	376.35	3.34	-96.85
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)C=C1	REAL300028770147	0	40	-2.0	-109.28	345.82	2.11	-107.17
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)NC([O-])=C1	REAL300028770338	0	40	-2.0	-90.24	345.95	-2.85	-93.09
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=COC(=O)[N-]1	REAL300028770352	1	36	-2.0	-89.78	318.02	-3.00	-92.78
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C2CCC2)[N-]C1=O	REAL300028770409	1	48	-2.0	-91.24	394.76	1.64	-89.60
O=C([N-][C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C(F)(F)C(F)(F)F	REAL300028770488	0	35	-2.0	-87.08	322.99	0.30	-86.78
CCN1[N-]C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300028770615	0	43	-2.0	-95.12	367.49	0.63	-94.49
O=C(CC1=CC(=O)N[N-]1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770624	1	40	-2.0	-104.21	343.33	-1.37	-105.58
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=S)N1[O-]	REAL300028770649	0	40	-2.0	-132.65	354.12	4.08	-128.57
O=C(CC1SC(=O)[N-]C1=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770667	0	40	-2.0	-93.46	357.17	-2.86	-96.32
CN1N=C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300028770686	0	39	-2.0	-98.44	340.27	-1.82	-100.26
CC1=C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)NC(C2CC2)=N1	REAL300028770805	0	48	-2.0	-91.86	394.95	1.76	-90.10
CC1=C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]C(C2CC2)=N1	REAL300028770805	1	48	-2.0	-91.86	394.95	1.76	-90.10
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]N=CC1=O	REAL300028770820	0	38	-2.0	-84.29	326.88	0.17	-84.12
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C2N=NN([O-])C2=C1	REAL300028770862	0	42	-2.0	-107.81	362.38	0.61	-107.20
CC1=C(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N(C)[N-]1	REAL300028770875	0	46	-2.0	-108.00	386.42	1.03	-106.97
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N[N-]1	REAL300028770975	0	37	-2.0	-91.46	322.81	-2.02	-93.48
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028770980	0	42	-2.0	-92.51	356.23	-0.74	-93.25
CN1[N-]C(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300028770983	0	43	-2.0	-106.35	366.16	0.36	-105.99
O=C(CCC1=NC(=O)[N-]N1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771022	1	42	-2.0	-100.68	358.85	-2.34	-103.02
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CN([O-])C1=O	REAL300028771031	0	40	-2.0	-100.15	343.01	2.23	-97.92
CSC1=NC=C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300028771052	1	42	-2.0	-90.45	369.16	0.04	-90.41
CC1=C([O-])N=C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300028771078	1	39	-2.0	-95.14	349.49	-1.89	-97.03
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)C=C(Cl)[N-]1	REAL300028771102	1	39	-2.0	-88.80	353.46	1.26	-87.54
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N([O-])C=C1	REAL300028771129	0	40	-2.0	-109.12	346.02	2.02	-107.10
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=O)N1[O-]	REAL300028771196	0	40	-2.0	-129.09	343.01	3.04	-126.05
O=C(C[N-]C(=O)C(F)(F)F)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771397	0	39	-2.0	-92.65	352.77	-2.12	-94.77
NC1=NC([O-])=C(CC(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300028771398	0	41	-2.0	-110.14	364.17	-2.96	-113.10
O=C(CC1=NC([O-])=CS1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771466	0	39	-2.0	-113.00	349.36	-2.09	-115.09
CCC1=NC=C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300028771495	1	44	-2.0	-89.93	367.91	0.51	-89.42
O=C(CN1N=CC(=O)[N-]C1=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028771508	0	41	-2.0	-103.46	358.87	-3.53	-106.99
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=C(Cl)C(=O)[N-]S1	REAL300028771597	0	36	-2.0	-92.04	340.42	-0.71	-92.75
COCC1=NC=C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300028771724	0	45	-2.0	-91.04	380.84	-1.26	-92.30
COCC1=NC=C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300028771724	1	45	-2.0	-91.04	380.84	-1.26	-92.30
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(CC2CC2)NC1=O	REAL300028771737	0	48	-2.0	-90.05	398.84	2.11	-87.94
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(CC2CC2)[N-]C1=O	REAL300028771737	1	48	-2.0	-90.05	398.84	2.11	-87.94
CC1=CC(=O)C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300028771836	0	41	-2.0	-97.46	351.56	1.77	-95.69
CN1N=CC2=C1[N-]C=C(C(=O)N[C@@H]1C[C@@H]3C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C3)C2=O	REAL300028771842	0	45	-2.0	-87.79	381.50	1.99	-85.80
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)N[N-]1	REAL300028771859	0	36	-2.0	-90.33	317.50	-3.31	-93.64
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300028771888	1	41	-2.0	-90.09	359.85	1.03	-89.06
CC1=NC2=NC=C(C(=O)N[C@@H]3C[C@@H]4C[C@H]3N(C(=O)C3=CC(=O)[N-]O3)C4)C(=O)N2[N-]1	REAL300028771918	0	44	-2.0	-88.35	375.06	3.27	-85.08
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C=N[O-])S1	REAL300028772039	0	39	-2.0	-102.63	358.21	-0.43	-103.06
COC1=NC(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=CC(=O)[N-]1	REAL300028772060	0	42	-2.0	-96.36	363.67	-3.99	-100.35
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC2=C1C(=O)N=C[N-]2	REAL300028772251	1	44	-2.0	-104.19	373.17	2.74	-101.45
CN1[N-]C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300028772304	0	40	-2.0	-94.14	345.76	-0.30	-94.44
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300028772315	1	43	-2.0	-115.81	368.48	0.08	-115.73
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	REAL300028772319	0	40	-2.0	-96.22	359.90	-2.18	-98.40
CC1=C(C(=O)N[C@@H]2C[C@@H]3C[C@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C(=S)[N-]C(=O)N1	REAL300028772320	1	42	-2.0	-101.25	372.49	-0.72	-101.97
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)[N-]C(=O)N1	REAL300028772555	0	38	-2.0	-90.99	335.79	-5.05	-96.04
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)NC(=O)[N-]1	REAL300028772555	1	38	-2.0	-87.53	336.47	-4.29	-91.82
O=C(COC1=NC(=O)[N-]C(=O)N1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772641	0	42	-2.0	-96.97	369.81	-5.87	-102.84
O=C(COC1=NC(=O)NC(=O)[N-]1)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772641	1	42	-2.0	-92.86	369.52	-5.82	-98.68
O=C(CN1[N-]C(=O)C=CC1=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028772802	0	42	-2.0	-103.00	364.63	-1.43	-104.43
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=NC=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028773060	1	39	-2.0	-108.59	334.18	1.91	-106.68
O=C(CCN1C=C[N-]C(=O)C1=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028773187	1	45	-2.0	-96.99	387.17	0.36	-96.63
CC(=O)[N-]C1=NC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=CS1	REAL300028773205	1	42	-2.0	-87.22	372.34	0.02	-87.20
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300028773241	0	38	-2.0	-97.85	333.81	-3.82	-101.67
COC1=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)NC(=O)[N-]C1=O	REAL300028773303	1	43	-2.0	-93.91	365.78	-2.59	-96.50
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028773503	0	40	-2.0	-99.85	351.00	-2.28	-102.13
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028773570	0	44	-2.0	-100.67	384.79	0.60	-100.07
O=C(CCCN1C(=O)[N-]NC1=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028774683	0	46	-2.0	-99.19	393.75	-1.11	-100.30
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300028774930	1	45	-2.0	-99.20	387.76	0.84	-98.36
O=C(CCC1=NNC(=O)[N-]C1=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028775962	0	44	-2.0	-94.94	381.43	-3.78	-98.72
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300028775972	0	42	-2.0	-96.59	362.40	2.98	-93.61
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(Cl)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028775988	1	40	-2.0	-101.28	356.41	2.92	-98.36
N#CC1=CC([O-])=CC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=C1	REAL300028776025	1	41	-2.0	-87.46	357.39	1.54	-85.92
NC1=CC=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C([O-])=C1Cl	REAL300028776060	0	42	-2.0	-113.92	368.33	0.73	-113.19
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028776129	0	42	-2.0	-108.39	365.49	3.85	-104.54
CCC1=NC=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C(=O)[N-]1	REAL300028776166	1	44	-2.0	-97.72	376.90	0.25	-97.47
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=COC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300028776193	1	36	-2.0	-89.99	317.66	-2.08	-92.07
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=CC([O-])=C1[N+](=O)[O-])C2)C1=CC(=O)[N-]O1	REAL300028776283	0	42	-2.0	-105.85	368.75	2.46	-103.39
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776302	0	39	-2.0	-91.98	355.67	-1.99	-93.97
NC1=NC([O-])=C(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)S1	REAL300028776303	0	41	-2.0	-108.62	366.89	-2.82	-111.44
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=C(F)C=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300028776314	0	40	-2.0	-89.45	358.89	1.59	-87.86
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300028776338	1	40	-2.0	-93.14	346.06	1.35	-91.79
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC([O-])=C3SC=CC3=C1)C2)C1=CC(=O)[N-]O1	REAL300028776346	1	43	-2.0	-96.39	373.34	2.50	-93.89
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC([O-])=CC(=O)O1)C2)C1=CC(=O)[N-]O1	REAL300028776349	0	39	-2.0	-90.06	342.44	0.70	-89.36
N#CC1=CC=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C=C1[O-]	REAL300028776363	1	41	-2.0	-101.26	356.75	1.60	-99.66
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(Cl)=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028776369	0	39	-2.0	-97.50	351.70	0.82	-96.68
N#CC1=CC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=C(N)[N-]C1=O	REAL300028776376	0	42	-2.0	-88.39	373.99	-1.41	-89.80
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776395	0	41	-2.0	-101.08	361.57	-3.43	-104.51
CC1=CC=C([O-])C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=N1	REAL300028776497	1	42	-2.0	-108.94	355.84	2.51	-106.43
O=C(CCC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776501	0	42	-2.0	-94.46	361.30	-1.66	-96.12
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=C[N-]N=CC1=O)C2)C1=CC(=O)[N-]O1	REAL300028776527	0	38	-2.0	-89.71	335.79	-0.08	-89.79
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028776541	0	40	-2.0	-117.18	346.23	2.40	-114.78
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300028776687	1	40	-2.0	-104.91	346.37	1.31	-103.60
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300028776779	0	42	-2.0	-90.81	362.60	2.96	-87.85
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300028776852	0	37	-2.0	-92.14	322.78	-1.79	-93.93
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776860	0	42	-2.0	-92.45	355.99	-0.57	-93.02
CN1[N-]C(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=CC1=O	REAL300028776865	0	43	-2.0	-103.68	369.05	0.47	-103.21
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028776890	0	45	-2.0	-106.06	390.23	2.95	-103.11
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CN=C(CC3CC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300028776913	1	48	-2.0	-97.97	407.59	1.85	-96.12
NC1=CC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=C(F)C([O-])=C1F	REAL300028776927	0	42	-2.0	-111.91	366.06	-0.69	-112.60
COCC1=NC=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C(=O)[N-]1	REAL300028776937	1	45	-2.0	-98.35	389.83	-1.50	-99.85
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(F)=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028776968	0	40	-2.0	-100.40	352.10	2.54	-97.86
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300028777002	0	40	-2.0	-104.15	352.86	2.07	-102.08
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(F)=C(F)C([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300028777039	0	40	-2.0	-96.21	358.34	1.45	-94.76
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=NC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300028777041	0	36	-2.0	-90.53	317.24	-2.63	-93.16
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=C([O-])C=CC=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300028777047	1	40	-2.0	-106.82	361.65	1.97	-104.85
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=CN([O-])C1=O)C2)C1=CC(=O)[N-]O1	REAL300028777056	0	40	-2.0	-111.02	351.92	2.03	-108.99
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=C(F)C=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300028777099	1	40	-2.0	-95.04	358.37	1.57	-93.47
CC1=NC2=NC=C(C(=O)N3C[C@@H]4C[C@@H](NC(=O)C5=CC(=O)[N-]O5)[C@H]3C4)C(=O)N2[N-]1	REAL300028777185	0	44	-2.0	-95.73	383.91	2.99	-92.74
NC1=CC(=O)[N-]C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=N1	REAL300028777233	0	40	-2.0	-102.19	346.11	-2.10	-104.29
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=C([O-])C(Cl)=C1)C2)C1=CC(=O)[N-]O1	REAL300028777318	0	40	-2.0	-91.91	352.49	1.75	-90.16
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(F)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028777326	1	40	-2.0	-100.68	346.09	2.47	-98.21
CC1=CC=NC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=C1[O-]	REAL300028777427	1	42	-2.0	-108.11	354.40	2.60	-105.51
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=C(Cl)C(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028777494	0	40	-2.0	-112.55	362.09	2.83	-109.72
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CN=CC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300028777627	1	39	-2.0	-90.77	331.30	-0.63	-91.40
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=CC(=S)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300028777641	0	40	-2.0	-113.87	363.48	2.44	-111.43
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300028777799	1	48	-2.0	-99.28	403.52	1.39	-97.89
NC1=CC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=CC([O-])=C1Cl	REAL300028777817	1	42	-2.0	-92.02	365.26	-0.36	-92.38
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=C([O-])C(Cl)=N1)C2)C1=CC(=O)[N-]O1	REAL300028777822	0	39	-2.0	-86.75	352.37	0.73	-86.02
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=C([O-])C=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300028777899	1	40	-2.0	-91.67	354.74	1.79	-89.88
N#CC1=CC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=C([O-])C=C1N	REAL300028777902	0	43	-2.0	-99.47	373.26	0.68	-98.79
O=C(CC1=NC([O-])=CS1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777916	0	39	-2.0	-109.83	352.08	-1.95	-111.78
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=C([O-])C=CC=C1F)C2)C1=CC(=O)[N-]O1	REAL300028777941	0	40	-2.0	-100.39	352.16	1.60	-98.79
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028777944	0	42	-2.0	-101.36	367.33	-1.33	-102.69
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=C(F)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028777947	0	40	-2.0	-103.05	345.83	2.32	-100.73
CC1=CC=C(F)C([O-])=C1C(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778002	0	43	-2.0	-102.21	371.65	2.16	-100.05
O=C(CC1SC(=O)[N-]C1=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778102	0	40	-2.0	-89.51	359.41	-2.72	-92.23
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=C([O-])C(F)=C1F)C2)C1=CC(=O)[N-]O1	REAL300028778135	0	40	-2.0	-98.69	352.45	1.43	-97.26
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300028778139	1	41	-2.0	-88.75	368.48	0.02	-88.73
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028778145	0	40	-2.0	-111.24	356.03	2.88	-108.36
CC1=CC(=O)C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=N[N-]1	REAL300028778183	0	41	-2.0	-98.09	351.01	2.05	-96.04
O=C(C=C([O-])C1=CC=C(O)C=C1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778189	0	45	-2.0	-112.40	383.00	1.75	-110.65
CN1N=CC2=C1[N-]C=C(C(=O)N1C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]1C3)C2=O	REAL300028778193	0	45	-2.0	-93.25	390.60	1.75	-91.50
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=CC(=O)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300028778225	0	40	-2.0	-112.12	352.37	1.81	-110.31
N#CC1=CC=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C(=O)[N-]1	REAL300028778273	0	40	-2.0	-92.62	361.60	-0.24	-92.86
O=C(COC1=NC(=O)[N-]C(=O)N1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778274	0	42	-2.0	-94.56	372.69	-5.69	-100.25
O=C(COC1=NC(=O)NC(=O)[N-]1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028778274	1	42	-2.0	-90.86	372.11	-5.63	-96.49
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C2)C1=CC(=O)[N-]O1	REAL300028778305	0	42	-2.0	-90.15	366.06	2.86	-87.29
CN1N=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)[N-]C1=O	REAL300028778351	0	39	-2.0	-99.18	340.18	-1.57	-100.75
[N-]=[N+]=NC1=CC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=CC=C1[O-]	REAL300028778393	0	42	-2.0	-93.00	364.32	-1.02	-94.02
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=C(F)C=CC(O)=C1O)C2)C1=CC(=O)[N-]O1	REAL300028778437	0	41	-2.0	-101.59	362.75	-0.35	-101.94
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=C(F)C=CC(O)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028778437	1	41	-2.0	-101.59	362.75	-0.35	-101.94
N#CC1=CC=C([O-])C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=C1	REAL300028778450	0	41	-2.0	-102.56	360.49	2.83	-99.73
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CN([O-])C(=O)NC1=O)C2)C1=CC(=O)[N-]O1	REAL300028778597	0	40	-2.0	-93.77	357.22	-0.53	-94.30
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(Cl)=C(F)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028778639	0	40	-2.0	-103.23	362.30	2.82	-100.41
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=C(F)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300028778675	1	40	-2.0	-93.57	342.74	1.22	-92.35
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=C([O-])C3=NC=CC=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300028778685	1	45	-2.0	-123.57	380.23	2.75	-120.82
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028778689	0	42	-2.0	-99.25	367.57	2.94	-96.31
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028778692	0	42	-2.0	-97.46	367.75	3.10	-94.36
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=C(Cl)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028778706	1	40	-2.0	-103.15	356.14	2.79	-100.36
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300028778729	0	42	-2.0	-92.82	364.76	1.82	-91.00
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=NC(=O)[N-]C(=O)N1)C2)C1=CC(=O)[N-]O1	REAL300028778821	0	38	-2.0	-90.82	335.17	-4.29	-95.11
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=NC(=O)NC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300028778821	1	38	-2.0	-87.61	335.71	-3.52	-91.13
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2)C1=CC(=O)[N-]O1	REAL300028778864	0	42	-2.0	-92.78	358.77	0.20	-92.58
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2)C1=CC(=O)[N-]O1	REAL300028778910	1	45	-2.0	-113.51	379.42	4.27	-109.24
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=C(Cl)C(=O)[N-]S1)C2)C1=CC(=O)[N-]O1	REAL300028778911	0	36	-2.0	-93.07	337.70	-0.86	-93.93
NC1=NC=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C(=O)[N-]1	REAL300028778937	1	40	-2.0	-98.29	350.04	-1.40	-99.69
CC1=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)[N-]C(=O)C(C#N)=C1	REAL300028778974	0	43	-2.0	-85.38	371.68	1.45	-83.93
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=C(F)C([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300028779001	0	40	-2.0	-110.42	352.40	1.42	-109.00
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2)C1=CC(=O)[N-]O1	REAL300028779065	0	40	-2.0	-92.35	358.72	1.80	-90.55
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300028779074	1	41	-2.0	-89.10	367.38	1.02	-88.08
COC1=NC(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=CC(=O)[N-]1	REAL300028779080	0	42	-2.0	-96.63	361.74	-3.33	-99.96
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=C3N[N-]N=C3C1=O)C2)C1=CC(=O)[N-]O1	REAL300028779083	0	42	-2.0	-95.36	367.14	-0.05	-95.41
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=NC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028779096	0	39	-2.0	-104.07	350.27	2.43	-101.64
O=C(CC1=CC=C([O-])C(Cl)=C1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779102	1	43	-2.0	-104.04	382.96	2.88	-101.16
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=C(Cl)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300028779148	0	40	-2.0	-102.84	352.54	1.71	-101.13
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028779159	0	39	-2.0	-103.23	334.66	0.41	-102.82
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)[N-]O1	REAL300028779169	0	36	-2.0	-94.29	317.59	-1.53	-95.82
CC1=C([O-])N=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)S1	REAL300028779213	1	39	-2.0	-95.52	349.28	-1.21	-96.73
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=C([O-])C=CC3=CC=CC=C31)C2)C1=CC(=O)[N-]O1	REAL300028779272	1	46	-2.0	-115.12	391.16	3.75	-111.37
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=C([O-])C3=CC=CC=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300028779292	1	46	-2.0	-111.28	384.55	4.64	-106.64
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC3=CC=CC=C3C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028779300	1	46	-2.0	-112.33	385.91	4.55	-107.78
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C(=O)C1=CC=C([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300028779356	1	42	-2.0	-93.08	360.01	1.44	-91.64
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CN=C(C=N[O-])S1)C2)C1=CC(=O)[N-]O1	REAL300028779395	0	39	-2.0	-102.39	355.68	-0.55	-102.94
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300028779433	1	39	-2.0	-88.31	352.44	1.80	-86.51
CSC1=NC=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C(=O)[N-]1	REAL300028779459	1	42	-2.0	-98.47	377.98	-0.24	-98.71
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)NC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300028779468	0	40	-2.0	-89.25	352.94	-2.86	-92.11
CCN1[N-]C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=CC1=O	REAL300028779556	0	43	-2.0	-96.16	367.33	0.87	-95.29
CN1[N-]C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)=CC1=O	REAL300028779580	0	40	-2.0	-94.99	345.33	-0.05	-95.04
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=CC3=C1C(=O)[N-]C3=O)C2)C1=CC(=O)[N-]O1	REAL300028779595	1	43	-2.0	-107.21	371.20	-0.46	-107.67
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779600	0	40	-2.0	-93.89	362.77	-2.03	-95.92
CC1=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C(=S)[N-]C(=O)N1	REAL300028779602	1	42	-2.0	-100.31	373.90	-0.63	-100.94
CC1=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C(=O)[N-]C(C2CC2)=N1	REAL300028779613	1	48	-2.0	-100.51	404.54	1.60	-98.91
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=C([O-])C=NC3=CC=CC=C31)C2)C1=CC(=O)[N-]O1	REAL300028779678	1	45	-2.0	-99.17	385.86	1.84	-97.33
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2	REAL300028779798	1	40	-2.0	-101.44	346.22	-1.25	-102.69
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300028779805	1	40	-2.0	-94.82	342.70	1.26	-93.56
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(F)=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300028779873	0	40	-2.0	-94.95	348.99	1.31	-93.64
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC=NC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028779879	0	39	-2.0	-101.47	351.01	0.86	-100.61
CC1=C(CC(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C(=O)N(C)[N-]1	REAL300028779901	0	46	-2.0	-107.42	388.87	1.18	-106.24
O=C(CCC(=O)N1C[C@@H]2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]1C2)C1=CC=C([O-])C=C1	REAL300028779914	1	48	-2.0	-94.92	408.53	2.99	-91.93
CC1=CN=C(C(=O)N2C[C@@H]3C[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]2C3)C([O-])=C1	REAL300028779955	1	42	-2.0	-110.07	355.37	2.55	-107.52
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=C(O)C=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028779972	0	41	-2.0	-99.13	372.46	-0.69	-99.82
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC([O-])=CS1)C2)C1=CC(=O)[N-]O1	REAL300028779997	0	37	-2.0	-102.95	329.20	0.21	-102.74
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CN([O-])C(=O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300028780023	0	40	-2.0	-104.45	352.59	2.07	-102.38
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(F)=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300028780029	0	40	-2.0	-97.33	361.95	2.90	-94.43
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)NC1=O	REAL300028780086	0	40	-2.0	-91.51	348.07	-0.31	-91.82
O=C(N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300028780123	1	41	-2.0	-82.85	359.42	0.30	-82.55
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CN=C(C2CC2)[N-]C1=O	REAL300028780608	1	48	-2.0	-97.94	393.46	2.27	-95.67
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=NNC(=O)[N-]C1=O	REAL300028781575	0	41	-2.0	-106.64	349.25	-2.96	-109.60
O=C(CN1C(=O)[N-]NC1=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028781677	0	43	-2.0	-108.54	352.67	-0.03	-108.57
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CN([O-])C(=O)C=C1	REAL300028782384	0	43	-2.0	-100.17	349.77	4.33	-95.84
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC(=O)NC([O-])=C1	REAL300028782515	0	43	-2.0	-86.84	356.50	-1.94	-88.78
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=COC(=O)[N-]1	REAL300028782526	1	39	-2.0	-115.36	321.93	-0.59	-115.95
O=C([N-]C1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C(F)(F)C(F)(F)F	REAL300028782629	0	38	-2.0	-87.02	334.82	1.19	-85.83
CCN1[N-]C(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)=CC1=O	REAL300028782719	0	46	-2.0	-87.10	373.18	2.67	-84.43
O=C(CC1=CC(=O)N[N-]1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782727	1	43	-2.0	-95.87	347.91	0.88	-94.99
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=CC(=S)N1[O-]	REAL300028782747	0	43	-2.0	-118.25	359.02	6.39	-111.86
O=C(CC1SC(=O)[N-]C1=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782758	0	43	-2.0	-85.29	361.62	-0.56	-85.85
CN1N=C(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)[N-]C1=O	REAL300028782775	0	42	-2.0	-88.99	345.08	0.50	-88.49
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=C[N-]N=CC1=O	REAL300028782872	0	41	-2.0	-90.92	341.21	1.23	-89.69
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=C2N=NN([O-])C2=C1	REAL300028782908	0	45	-2.0	-98.27	366.33	2.83	-95.44
CC1=C(CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C(=O)N(C)[N-]1	REAL300028782918	0	49	-2.0	-117.16	390.48	3.41	-113.75
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC(=O)N[N-]1	REAL300028782993	0	40	-2.0	-83.43	328.26	0.01	-83.42
C[PH](C)([O-])C(=O)C(=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028782998	0	45	-2.0	-105.80	365.56	1.83	-103.97
CN1[N-]C(CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)=CC1=O	REAL300028783001	0	46	-2.0	-107.15	370.50	2.72	-104.43
O=C(CCC1=NC(=O)[N-]N1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783030	1	45	-2.0	-98.93	369.33	-1.46	-100.39
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=CN([O-])C1=O	REAL300028783035	0	43	-2.0	-104.54	357.72	3.33	-101.21
CC1=C([O-])N=C(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)S1	REAL300028783070	1	42	-2.0	-88.97	354.37	0.41	-88.56
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC(=O)C=C(Cl)[N-]1	REAL300028783084	1	42	-2.0	-96.12	367.84	2.41	-93.71
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC(=O)N([O-])C=C1	REAL300028783104	0	43	-2.0	-117.19	360.15	3.12	-114.07
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC=CC(=O)N1[O-]	REAL300028783147	0	43	-2.0	-115.02	347.91	5.35	-109.67
O=C(C[N-]C(=O)C(F)(F)F)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783285	0	42	-2.0	-85.83	363.61	-1.22	-87.05
NC1=NC([O-])=C(CC(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)S1	REAL300028783286	0	44	-2.0	-107.04	368.50	-0.72	-107.76
O=C(CC1=NC([O-])=CS1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783338	0	42	-2.0	-102.39	359.92	-1.21	-103.60
CCC1=NC=C(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)C(=O)[N-]1	REAL300028783359	1	47	-2.0	-96.27	382.63	1.61	-94.66
O=C(CN1N=CC(=O)[N-]C1=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783370	0	44	-2.0	-112.98	362.98	-1.04	-114.02
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=C(Cl)C(=O)[N-]S1	REAL300028783435	0	39	-2.0	-83.56	345.40	1.59	-81.97
CC1=CC(=O)C(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)=N[N-]1	REAL300028783610	0	44	-2.0	-107.15	366.41	2.91	-104.24
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=NC(=O)N[N-]1	REAL300028783626	0	39	-2.0	-82.45	322.42	-0.99	-83.44
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CN=C(C=N[O-])S1	REAL300028783760	0	42	-2.0	-94.78	363.20	1.88	-92.90
COC1=NC(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)=CC(=O)[N-]1	REAL300028783776	0	45	-2.0	-87.15	368.56	-1.69	-88.84
CN1[N-]C(C(=O)NC2C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C32)=CC1=O	REAL300028783955	0	43	-2.0	-86.27	351.45	1.74	-84.53
O=C(CSC1=NNC(=O)[N-]1)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028783963	0	43	-2.0	-90.80	370.38	-1.30	-92.10
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=NC(=O)[N-]C(=O)N1	REAL300028784138	0	41	-2.0	-84.56	340.96	-2.75	-87.31
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=NC(=O)NC(=O)[N-]1	REAL300028784138	1	41	-2.0	-79.45	341.61	-2.00	-81.45
O=C(CN1[N-]C(=O)C=CC1=O)NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21	REAL300028784307	0	45	-2.0	-108.59	368.79	0.96	-107.63
O=C(NC1C2CCCCN(C(=O)C3=NC=CC=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028784561	1	42	-2.0	-99.30	345.15	3.02	-96.28
O=C(NC1C2CCCCN(C(=O)C3=NNC(=O)[N-]C3=O)C21)C1=CC(=O)[N-]O1	REAL300028784685	0	41	-2.0	-90.94	344.86	-2.83	-93.77
O=C(CN1C(=O)[N-]NC1=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028784850	0	43	-2.0	-93.04	360.64	-1.47	-94.51
O=C(NC1C2CCCCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C21)C1=CC(=O)[N-]O1	REAL300028785668	1	48	-2.0	-120.52	392.03	3.30	-117.22
O=C(NC1C2CCCCN(C(=O)C3=CC(Cl)=CC=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028786230	1	43	-2.0	-90.81	365.47	4.04	-86.77
N#CC1=CC([O-])=CC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C1	REAL300028786255	1	44	-2.0	-113.44	360.66	4.03	-109.41
CCC1=NC=C(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C(=O)[N-]1	REAL300028786334	1	47	-2.0	-98.09	388.33	1.14	-96.95
O=C(NC1C2CCCCN(C(=O)C3=COC(=O)[N-]3)C21)C1=CC(=O)[N-]O1	REAL300028786351	1	39	-2.0	-82.96	323.53	0.47	-82.49
O=C(C[N-]C(=O)C(F)(F)F)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786425	0	42	-2.0	-83.97	359.11	0.39	-83.58
NC1=NC([O-])=C(CC(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)S1	REAL300028786426	0	44	-2.0	-107.65	376.33	-1.98	-109.63
O=C(NC1C2CCCCN(C(=O)C3=CC=C([O-])C=C3F)C21)C1=CC(=O)[N-]O1	REAL300028786447	1	43	-2.0	-111.24	353.70	3.99	-107.25
O=C(NC1C2CCCCN(C(=O)C3=CC([O-])=CC(=O)O3)C21)C1=CC(=O)[N-]O1	REAL300028786453	0	42	-2.0	-87.79	353.46	1.62	-86.17
N#CC1=CC=C(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C=C1[O-]	REAL300028786461	1	44	-2.0	-117.62	360.46	4.14	-113.48
O=C(NC1C2CCCCN(C(=O)C3=CC(Cl)=NC=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028786465	0	42	-2.0	-114.89	358.17	3.50	-111.39
N#CC1=CC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C(N)[N-]C1=O	REAL300028786468	0	45	-2.0	-105.82	377.57	0.74	-105.08
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786482	0	44	-2.0	-97.58	371.02	-2.58	-100.16
CC1=CC=C([O-])C(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=N1	REAL300028786546	1	45	-2.0	-127.58	359.71	5.25	-122.33
O=C(NC1C2CCCCN(C(=O)C3=C[N-]N=CC3=O)C21)C1=CC(=O)[N-]O1	REAL300028786565	0	41	-2.0	-99.63	350.81	1.01	-98.62
O=C(NC1C2CCCCN(C(=O)C3=CC=CC(F)=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028786573	0	43	-2.0	-105.36	348.47	4.52	-100.84
O=C(NC1C2CCCCN(C(=O)C3=CC=CC([O-])=C3F)C21)C1=CC(=O)[N-]O1	REAL300028786666	1	43	-2.0	-100.67	348.78	3.18	-97.49
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)N[N-]3)C21)C1=CC(=O)[N-]O1	REAL300028786771	0	40	-2.0	-86.76	333.27	-0.74	-87.50
C[PH](C)([O-])C(=O)C(=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028786776	0	45	-2.0	-115.13	365.39	1.99	-113.14
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)N([O-])C=C3)C21)C1=CC(=O)[N-]O1	REAL300028786867	0	43	-2.0	-111.76	357.18	4.56	-107.20
O=C(NC1C2CCCCN(C(=O)C3=NC(=O)N[N-]3)C21)C1=CC(=O)[N-]O1	REAL300028786896	0	39	-2.0	-83.14	321.30	0.12	-83.02
O=C(NC1C2CCCCN(C(=O)C3=CC=CN([O-])C3=O)C21)C1=CC(=O)[N-]O1	REAL300028786902	0	43	-2.0	-137.73	356.02	4.51	-133.22
NC1=CC(=O)[N-]C(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=N1	REAL300028787005	0	43	-2.0	-94.75	357.23	-1.00	-95.75
O=C(NC1C2CCCCN(C(=O)C3=CC=C([O-])C(Cl)=C3)C21)C1=CC(=O)[N-]O1	REAL300028787054	0	43	-2.0	-84.44	358.41	3.95	-80.49
O=C(NC1C2CCCCN(C(=O)C3=CC(F)=CC=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028787059	1	43	-2.0	-90.51	355.15	3.59	-86.92
CC1=CC=NC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C1[O-]	REAL300028787121	1	45	-2.0	-97.90	360.87	4.84	-93.06
O=C(NC1C2CCCCN(C(=O)C3=CN=CC([O-])=C3)C21)C1=CC(=O)[N-]O1	REAL300028787236	1	42	-2.0	-83.50	337.51	1.60	-81.90
O=C(NC1C2CCCCN(C(=O)C3=CC=CC(=S)N3[O-])C21)C1=CC(=O)[N-]O1	REAL300028787246	0	43	-2.0	-118.94	368.77	4.49	-114.45
O=C(NC1C2CCCCN(C(=O)C3=CC=C([O-])C(Cl)=N3)C21)C1=CC(=O)[N-]O1	REAL300028787359	0	42	-2.0	-97.80	356.35	3.67	-94.13
O=C(NC1C2CCCCN(C(=O)C3=CC=C([O-])C=C3Cl)C21)C1=CC(=O)[N-]O1	REAL300028787403	1	43	-2.0	-108.17	356.96	4.22	-103.95
N#CC1=CC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C([O-])C=C1N	REAL300028787404	0	46	-2.0	-89.92	382.45	1.87	-88.05
O=C(CC1=NC([O-])=CS1)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028787411	0	42	-2.0	-105.99	361.52	-1.14	-107.13
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028787425	0	45	-2.0	-92.96	376.81	-0.50	-93.46
O=C(NC1C2CCCCN(C(=O)C3=CC=C(F)C=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028787427	0	43	-2.0	-123.92	352.95	4.44	-119.48
O=C(CC1SC(=O)[N-]C1=O)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028787521	0	43	-2.0	-84.20	369.28	-1.88	-86.08
O=C(NC1C2CCCCN(C(=O)C3=CC=C([O-])C(F)=C3F)C21)C1=CC(=O)[N-]O1	REAL300028787542	0	43	-2.0	-87.70	361.95	3.51	-84.19
O=C(NC1C2CCCCN(C(=O)C3=CC=CC(Cl)=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028787549	0	43	-2.0	-100.01	358.28	5.01	-95.00
CC1=CC(=O)C(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=N[N-]1	REAL300028787575	0	44	-2.0	-90.90	362.01	3.04	-87.86
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028787578	0	48	-2.0	-104.12	393.86	2.66	-101.46
O=C(NC1C2CCCCN(C(=O)C3=CC=CC(=O)N3[O-])C21)C1=CC(=O)[N-]O1	REAL300028787597	0	43	-2.0	-115.26	357.66	3.87	-111.39
N#CC1=CC=C(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C(=O)[N-]1	REAL300028787620	0	43	-2.0	-113.59	365.96	2.25	-111.34
CN1N=C(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)[N-]C1=O	REAL300028787670	0	42	-2.0	-90.53	344.07	0.85	-89.68
[N-]=[N+]=NC1=CC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=CC=C1[O-]	REAL300028787693	0	45	-2.0	-85.39	373.07	-0.12	-85.51
N#CC1=CC=C([O-])C(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C1	REAL300028787729	0	44	-2.0	-88.15	369.57	3.95	-84.20
O=C(NC1C2CCCCN(C(=O)C3=CN([O-])C(=O)NC3=O)C21)C1=CC(=O)[N-]O1	REAL300028787821	0	43	-2.0	-90.86	368.16	0.36	-90.50
O=C(NC1C2CCCCN(C(=O)C3=CC=C(F)C([O-])=C3)C21)C1=CC(=O)[N-]O1	REAL300028787871	1	43	-2.0	-86.86	348.66	3.43	-83.43
O=C(NC1C2CCCCN(C(=O)C3=CC=C(Cl)C=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028787888	1	43	-2.0	-123.27	363.27	4.90	-118.37
O=C(NC1C2CCCCN(C(=O)C3=NC(=O)[N-]C(=O)N3)C21)C1=CC(=O)[N-]O1	REAL300028787953	0	41	-2.0	-83.57	347.22	-2.39	-85.96
O=C(NC1C2CCCCN(C(=O)C3=NC(=O)NC(=O)[N-]3)C21)C1=CC(=O)[N-]O1	REAL300028787953	1	41	-2.0	-83.57	347.22	-2.39	-85.96
O=C(NC1C2CCCCN(C(=O)C3=CC=C4N=NN([O-])C4=C3)C21)C1=CC(=O)[N-]O1	REAL300028787967	0	45	-2.0	-101.31	362.04	2.69	-98.62
O=C(NC1C2CCCCN(C(=O)C3=C(Cl)C(=O)[N-]S3)C21)C1=CC(=O)[N-]O1	REAL300028787996	0	39	-2.0	-85.37	343.54	0.90	-84.47
NC1=NC=C(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C(=O)N1	REAL300028788010	0	43	-2.0	-98.56	361.69	-0.52	-99.08
NC1=NC=C(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C(=O)[N-]1	REAL300028788010	1	43	-2.0	-98.56	361.69	-0.52	-99.08
CC1=C(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)[N-]C(=O)C(C#N)=C1	REAL300028788033	0	46	-2.0	-91.59	375.70	4.67	-86.92
O=C(NC1C2CCCCN(C(=O)C3=CC=C4N[N-]N=C4C3=O)C21)C1=CC(=O)[N-]O1	REAL300028788094	0	45	-2.0	-116.28	370.46	2.51	-113.77
O=C(NC1C2CCCCN(C(=O)C3=NC=CC(Cl)=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028788100	0	42	-2.0	-122.04	354.30	5.20	-116.84
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CC(=O)[N-]O1	REAL300028788147	0	39	-2.0	-112.68	321.50	0.90	-111.78
CC1SC(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=NC1=O	REAL300028788168	0	42	-2.0	-94.34	360.06	0.03	-94.31
CC1=C([O-])N=C(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)S1	REAL300028788168	1	42	-2.0	-94.34	360.06	0.03	-94.31
O=C(NC1C2CCCCN(C(=O)C(=O)C3=CC=C(O)C=C3)C21)C1=CC(=O)[N-]O1	REAL300028788258	0	45	-2.0	-103.61	373.30	3.89	-99.72
O=C(NC1C2CCCCN(C(=O)C(=O)C3=CC=C([O-])C=C3)C21)C1=CC(=O)[N-]O1	REAL300028788258	1	45	-2.0	-103.61	373.30	3.89	-99.72
O=C(NC1C2CCCCN(C(=O)C3=CN=C(C=N[O-])S3)C21)C1=CC(=O)[N-]O1	REAL300028788281	0	42	-2.0	-99.47	366.60	0.10	-99.37
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)C=C(Cl)N3)C21)C1=CC(=O)[N-]O1	REAL300028788302	0	42	-2.0	-83.41	363.56	2.79	-80.62
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C21)C1=CC(=O)[N-]O1	REAL300028788302	1	42	-2.0	-83.41	363.56	2.79	-80.62
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)NC([O-])=C3)C21)C1=CC(=O)[N-]O1	REAL300028788325	0	43	-2.0	-105.91	346.16	-0.75	-106.66
CCN1[N-]C(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=CC1=O	REAL300028788385	0	46	-2.0	-113.91	371.10	3.63	-110.28
CN1[N-]C(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=CC1=O	REAL300028788402	0	43	-2.0	-89.17	356.08	0.97	-88.20
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028788412	0	43	-2.0	-88.78	371.98	-1.14	-89.92
O=C(CC1=CC(=O)NN1)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028788532	0	43	-2.0	-94.65	355.67	-0.40	-95.05
O=C(CC1=CC(=O)N[N-]1)N1CCCCC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300028788532	1	43	-2.0	-94.65	355.67	-0.40	-95.05
O=C(NC1C2CCCCN(C(=O)C3=CC=C(O)C(F)=C3)C21)C1=CC(=O)[N-]O1	REAL300028788537	0	43	-2.0	-87.29	348.61	3.46	-83.83
O=C(NC1C2CCCCN(C(=O)C3=CC=C([O-])C(F)=C3)C21)C1=CC(=O)[N-]O1	REAL300028788537	1	43	-2.0	-87.29	348.61	3.46	-83.83
O=C(NC1C2CCCCN(C(=O)C3=CC(F)=C([O-])C(F)=C3)C21)C1=CC(=O)[N-]O1	REAL300028788580	0	43	-2.0	-109.12	352.64	3.83	-105.29
O=C(NC1C2CCCCN(C(=O)C3=CC=NC(Cl)=C3[O-])C21)C1=CC(=O)[N-]O1	REAL300028788585	0	42	-2.0	-119.77	357.48	3.53	-116.24
CC1=CN=C(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C(O)=C1	REAL300028788635	0	45	-2.0	-100.13	360.21	4.98	-95.15
CC1=CN=C(C(=O)N2CCCCC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C([O-])=C1	REAL300028788635	1	45	-2.0	-100.13	360.21	4.98	-95.15
O=C(NC1C2CCCCN(C(=O)C3=CC([O-])=CS3)C21)C1=CC(=O)[N-]O1	REAL300028788656	0	40	-2.0	-94.75	334.98	1.99	-92.76
O=C(NC1C2CCCCN(C(=O)C3=CN([O-])C(=O)C=C3)C21)C1=CC(=O)[N-]O1	REAL300028788669	0	43	-2.0	-110.51	356.88	4.54	-105.97
O=C(NC1C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C21)C1=CN([O-])C(=O)NC1=O	REAL300028788701	0	43	-2.0	-97.82	362.99	0.78	-97.04
CN1CCC(NC(=O)C2=CC(=O)N[N-]2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789148	1	48	-2.0	-89.50	376.61	-2.30	-91.80
CN1CCC(NC(=O)C2=NC(=O)N[N-]2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789208	1	47	-2.0	-84.66	374.64	-3.48	-88.14
CN1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300028789697	1	48	-2.0	-112.75	369.91	-1.77	-114.52
CN1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300028789710	1	47	-2.0	-105.92	364.68	-2.41	-108.33
CN1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028789867	1	47	-2.0	-88.83	374.78	-1.68	-90.51
O=C(NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1=COC(=O)[N-]1	REAL300028790713	1	43	-2.0	-91.83	368.68	-3.92	-95.75
O=C(CC1=CC(=O)N[N-]1)NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300028790792	1	47	-2.0	-98.89	395.51	-2.30	-101.19
CN1N=C(C(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)[N-]C1=O	REAL300028790801	0	46	-2.0	-100.26	392.09	-2.66	-102.92
O=C(NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1=C[N-]N=CC1=O	REAL300028790833	0	45	-2.0	-85.63	377.73	-0.77	-86.40
O=C(NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1=CC(=O)N[N-]1	REAL300028790867	0	44	-2.0	-93.96	374.83	-2.87	-96.83
O=C(NCC1CC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1=NC(=O)N[N-]1	REAL300028791045	0	43	-2.0	-87.74	367.47	-4.24	-91.98
CN1[N-]C(C(=O)NCC2CC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)=CC1=O	REAL300028791133	0	47	-2.0	-89.97	395.69	-1.22	-91.19
O=C(NCC1CC2(CCN(C(=O)C3=NC=CC=C3[O-])C2)CO1)C1=CC(=O)[N-]O1	REAL300028791489	1	46	-2.0	-100.02	386.15	1.05	-98.97
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O=C(CC1=NC([O-])=CS1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801703	0	42	-2.0	-100.26	353.81	-0.99	-101.25
O=C(CN1[N-]C(=O)C=CC1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801720	0	45	-2.0	-89.23	368.63	-0.26	-89.49
O=C(CC1SC(=O)[N-]C1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801837	0	43	-2.0	-82.43	361.47	-1.73	-84.16
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)CC12CCC2	REAL300028801863	0	43	-2.0	-87.23	352.75	2.39	-84.84
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])CC12CCC2	REAL300028801870	0	43	-2.0	-96.42	356.96	4.09	-92.33
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)=N[N-]1	REAL300028801901	0	44	-2.0	-86.87	356.89	1.68	-85.19
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028801905	0	48	-2.0	-101.69	384.17	2.76	-98.93
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC12CCC2	REAL300028801929	0	43	-2.0	-98.11	346.90	3.07	-95.04
N#CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C(=O)[N-]1	REAL300028801962	0	43	-2.0	-88.85	363.67	0.68	-88.17
CN1N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)[N-]C1=O	REAL300028802017	0	42	-2.0	-87.71	341.30	-0.49	-88.20
[N-]=[N+]=NC1=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)=CC=C1[O-]	REAL300028802043	0	45	-2.0	-84.59	370.47	0.16	-84.43
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C(F)C=CC(O)=C2O)CC12CCC2	REAL300028802079	0	44	-2.0	-93.69	364.83	0.73	-92.96
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC12CCC2	REAL300028802079	1	44	-2.0	-93.69	364.83	0.73	-92.96
N#CC1=CC=C([O-])C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)=C1	REAL300028802089	0	44	-2.0	-88.99	366.23	3.13	-85.86
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC12CCC2	REAL300028802191	0	43	-2.0	-86.11	359.28	0.39	-85.72
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C(F)C(O)=C2)CC12CCC2	REAL300028802250	0	43	-2.0	-93.40	348.88	2.37	-91.03
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC12CCC2	REAL300028802250	1	43	-2.0	-93.40	348.88	2.37	-91.03
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C(Cl)C=C2O)CC12CCC2	REAL300028802270	0	43	-2.0	-93.97	362.13	3.24	-90.73
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])CC12CCC2	REAL300028802270	1	43	-2.0	-93.97	362.13	3.24	-90.73
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC12CCC2	REAL300028802348	0	41	-2.0	-82.91	338.81	-3.16	-86.07
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC12CCC2	REAL300028802348	1	41	-2.0	-78.03	338.29	-2.39	-80.42
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)CC12CCC2	REAL300028802369	0	45	-2.0	-95.37	364.68	1.30	-94.07
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)CC12CCC2	REAL300028802400	0	39	-2.0	-82.99	340.60	0.02	-82.97
NC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C(=O)[N-]1	REAL300028802418	1	43	-2.0	-91.24	352.33	-0.46	-91.70
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)[N-]C(=O)C(C#N)=C1	REAL300028802444	0	46	-2.0	-85.01	383.15	1.16	-83.85
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)CC12CCC2	REAL300028802461	0	43	-2.0	-96.72	352.70	2.35	-94.37
COC1=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)=CC(=O)[N-]1	REAL300028802512	0	45	-2.0	-85.81	363.25	-2.06	-87.87
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C3N[N-]N=C3C2=O)CC12CCC2	REAL300028802513	0	45	-2.0	-91.30	368.59	0.94	-90.36
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])CC12CCC2	REAL300028802523	0	42	-2.0	-93.40	354.51	3.40	-90.00
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)CC12CCC2	REAL300028802563	0	43	-2.0	-89.51	358.67	2.86	-86.65
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=NC=C2[O-])CC12CCC2	REAL300028802573	0	42	-2.0	-93.66	341.25	0.68	-92.98
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300028802579	0	39	-2.0	-84.65	318.78	-0.69	-85.34
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)S1	REAL300028802605	1	42	-2.0	-86.31	350.82	0.13	-86.18
O=C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1)C1=CC=C([O-])C=C1	REAL300028802704	1	45	-2.0	-84.26	362.02	2.37	-81.89
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN=C(C=N[O-])S2)CC12CCC2	REAL300028802730	0	42	-2.0	-96.84	359.48	0.45	-96.39
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC12CCC2	REAL300028802755	1	42	-2.0	-78.97	356.95	2.78	-76.19
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC12CCC2	REAL300028802780	0	43	-2.0	-80.41	348.94	-2.04	-82.45
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)=CC1=O	REAL300028802844	0	46	-2.0	-84.70	368.38	1.97	-82.73
CN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)=CC1=O	REAL300028802866	0	43	-2.0	-83.89	346.57	1.04	-82.85
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O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC12CCC2	REAL300028803031	1	43	-2.0	-89.48	348.85	2.41	-87.07
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC12CCC2	REAL300028803085	0	43	-2.0	-85.57	355.53	2.48	-83.09
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])CC12CCC2	REAL300028803091	0	42	-2.0	-91.97	357.42	1.15	-90.82
CC1=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C(=O)N(C)[N-]1	REAL300028803106	0	49	-2.0	-92.59	390.39	2.25	-90.34
CC1=CN=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C([O-])=C1	REAL300028803144	1	45	-2.0	-98.36	360.16	3.41	-94.95
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC([O-])=CS2)CC12CCC2	REAL300028803169	0	40	-2.0	-91.47	332.77	1.12	-90.35
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC12CCC2	REAL300028803185	0	43	-2.0	-97.98	347.00	2.83	-95.15
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C2(CCC2)C1	REAL300028803220	0	43	-2.0	-84.43	352.05	0.39	-84.04
O=C(C1=COC(=O)[N-]1)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804003	1	43	-2.0	-93.21	347.36	-1.03	-94.24
O=C(CC1=CC(=O)N[N-]1)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804082	1	47	-2.0	-98.40	376.26	-0.73	-99.13
CN1N=C(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300028804091	0	46	-2.0	-98.80	369.77	-0.94	-99.74
O=C(C1=CC(=O)[N-]O1)N1CCCC2(C1)CN(C(=O)C1=C[N-]N=CC1=O)CCO2	REAL300028804123	0	45	-2.0	-83.56	367.67	0.61	-82.95
O=C(C1=CC(=O)N[N-]1)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300028804157	0	44	-2.0	-90.43	352.14	-1.14	-91.57
O=C(C1=CC(=O)[N-]O1)N1CCCC2(C1)CN(C(=O)C1=NC(=O)N[N-]1)CCO2	REAL300028804335	0	43	-2.0	-92.89	347.00	-1.71	-94.60
CN1[N-]C(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300028804423	0	47	-2.0	-87.80	375.86	0.71	-87.09
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCCN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300028804779	1	46	-2.0	-100.20	362.43	2.74	-97.46
O=C(C1=COC(=O)[N-]1)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805275	1	43	-2.0	-88.85	347.27	-1.02	-89.87
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCCN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300028805349	0	45	-2.0	-88.13	358.16	0.40	-87.73
O=C(C1=CC(=O)N[N-]1)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805410	0	44	-2.0	-91.51	352.10	-1.11	-92.62
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCCN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300028805444	0	43	-2.0	-92.20	346.96	-1.68	-93.88
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCCN(C(=O)C3=CN=CC([O-])=C3)C2)C1	REAL300028805554	1	46	-2.0	-93.17	365.92	0.02	-93.15
CN1N=C(C(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)[N-]C1=O	REAL300028805665	0	46	-2.0	-92.47	370.54	-0.82	-93.29
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCCN(C(=O)C3=CC=NC=C3[O-])C2)C1	REAL300028805798	0	46	-2.0	-111.89	367.48	0.25	-111.64
O=C(C1=CC(=O)[N-]O1)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805801	0	43	-2.0	-93.75	347.09	-1.16	-94.91
CN1[N-]C(C(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=CC1=O	REAL300028805890	0	47	-2.0	-94.50	374.85	0.59	-93.91
O=C(CC1=CC(=O)N[N-]1)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300028805938	1	47	-2.0	-95.11	377.50	-0.46	-95.57
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCCN(C(=O)C3=CC([O-])=CS3)C2)C1	REAL300028805982	0	44	-2.0	-99.53	362.64	0.74	-98.79
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=NNC(=O)[N-]C1=O	REAL300028806878	0	44	-2.0	-89.56	359.27	-3.10	-92.66
O=C(CN1C(=O)[N-]NC1=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028806939	0	46	-2.0	-92.55	378.25	-1.12	-93.67
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CN([O-])C(=O)C=C1	REAL300028807367	0	46	-2.0	-101.74	370.34	3.20	-98.54
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC(=O)NC([O-])=C1	REAL300028807455	0	46	-2.0	-84.35	375.78	-1.53	-85.88
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=COC(=O)[N-]1	REAL300028807466	1	42	-2.0	-85.01	342.88	-1.86	-86.87
O=C([N-]C1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C(F)(F)C(F)(F)F	REAL300028807532	0	41	-2.0	-79.22	350.56	1.68	-77.54
CCN1[N-]C(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC1=O	REAL300028807590	0	49	-2.0	-88.17	392.26	1.75	-86.42
O=C(CC1=CC(=O)N[N-]1)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807597	1	46	-2.0	-94.81	373.25	-0.09	-94.90
CN1N=C(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)[N-]C1=O	REAL300028807624	0	45	-2.0	-91.30	369.98	-0.48	-91.78
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=C[N-]N=CC1=O	REAL300028807687	0	44	-2.0	-78.00	356.80	1.45	-76.55
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC(=O)N[N-]1	REAL300028807758	0	43	-2.0	-84.84	347.34	-1.00	-85.84
C[PH](C)([O-])C(=O)C(=O)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807763	0	48	-2.0	-84.77	380.42	0.34	-84.43
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC=CN([O-])C1=O	REAL300028807788	0	46	-2.0	-96.75	372.88	3.52	-93.23
CC1SC(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=NC1=O	REAL300028807809	0	45	-2.0	-91.72	379.43	-0.58	-92.30
CC1=C([O-])N=C(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)S1	REAL300028807809	1	45	-2.0	-91.72	379.43	-0.58	-92.30
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC(=O)N([O-])C=C1	REAL300028807827	0	46	-2.0	-102.09	370.72	3.19	-98.90
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC=CC(=O)N1[O-]	REAL300028807852	0	46	-2.0	-116.63	367.79	4.01	-112.62
O=C(CC1=NC([O-])=CS1)NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028807971	0	45	-2.0	-106.44	374.23	-0.96	-107.40
CC1=CC(=O)C(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=N[N-]1	REAL300028808141	0	47	-2.0	-88.94	381.41	2.93	-86.01
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=NC(=O)N[N-]1	REAL300028808152	0	42	-2.0	-84.79	342.31	-2.17	-86.96
CN1[N-]C(C(=O)NC2(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC1=O	REAL300028808353	0	46	-2.0	-87.36	370.45	0.83	-86.53
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=NC(=O)[N-]C(=O)N1	REAL300028808459	0	44	-2.0	-81.60	361.49	-3.18	-84.78
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=NC(=O)NC(=O)[N-]1	REAL300028808459	1	44	-2.0	-81.60	361.49	-3.18	-84.78
O=C(NC1(C2CCCN(C(=O)C3=NC=CC=C3O)C2)CC1)C1=CC(=O)[N-]O1	REAL300028808814	0	45	-2.0	-98.44	359.66	3.17	-95.27
O=C(NC1(C2CCCN(C(=O)C3=NC=CC=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300028808814	1	45	-2.0	-98.44	359.66	3.17	-95.27
O=C(NC1(C2CCCN(C(=O)C3=NNC(=O)[N-]C3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300028808917	0	44	-2.0	-90.33	359.25	-2.66	-92.99
O=C(CN1C(=O)[N-]NC1=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028809025	0	46	-2.0	-92.09	376.25	-1.14	-93.23
N#CC1=CC([O-])=CC(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300028809961	1	47	-2.0	-82.25	387.36	2.81	-79.44
O=C(NC1(C2CCCN(C(=O)C3=COC(=O)[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028810031	1	42	-2.0	-83.19	342.66	-0.39	-83.58
O=C(NC1(C2CCCN(C(=O)C3=CC=C([O-])C=C3F)C2)CC1)C1=CC(=O)[N-]O1	REAL300028810104	1	46	-2.0	-88.90	371.71	2.51	-86.39
O=C(NC1(C2CCCN(C(=O)C3=CC([O-])=CC(=O)O3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028810109	0	45	-2.0	-85.56	369.83	1.95	-83.61
N#CC1=CC=C(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C=C1[O-]	REAL300028810112	1	47	-2.0	-93.01	387.60	2.91	-90.10
CC1=CC=C([O-])C(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=N1	REAL300028810171	1	48	-2.0	-99.15	381.27	3.76	-95.39
O=C(CCC1=NC(=O)[N-]N1)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810172	1	48	-2.0	-94.69	386.51	-1.02	-95.71
O=C(NC1(C2CCCN(C(=O)C3=C[N-]N=CC3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300028810183	0	44	-2.0	-86.38	365.34	1.18	-85.20
O=C(NC1(C2CCCN(C(=O)C3=CC=CC(F)=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300028810190	0	46	-2.0	-101.50	379.67	3.12	-98.38
O=C(NC1(C2CCCN(C(=O)C3=CC=CC([O-])=C3F)C2)CC1)C1=CC(=O)[N-]O1	REAL300028810262	1	46	-2.0	-97.87	379.96	2.77	-95.10
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)N[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028810337	0	43	-2.0	-84.41	347.53	-0.44	-84.85
C[PH](C)([O-])C(=O)C(=O)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810343	0	48	-2.0	-84.42	386.37	0.39	-84.03
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)N([O-])C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028810402	0	46	-2.0	-101.45	373.38	3.02	-98.43
O=C(NC1(C2CCCN(C(=O)C3=NC(=O)N[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028810419	0	42	-2.0	-86.07	342.30	-1.09	-87.16
O=C(NC1(C2CCCN(C(=O)C3=CC=CN([O-])C3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300028810424	0	46	-2.0	-99.05	372.05	3.02	-96.03
O=C(NC1(C2CCCN(C(=O)C3=CC(F)=CC=C3O)C2)CC1)C1=CC(=O)[N-]O1	REAL300028810544	0	46	-2.0	-94.28	375.03	2.91	-91.37
O=C(NC1(C2CCCN(C(=O)C3=CC(F)=CC=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300028810544	1	46	-2.0	-94.28	375.03	2.91	-91.37
CC1=CC=NC(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1O	REAL300028810591	0	48	-2.0	-98.27	379.98	3.86	-94.41
CC1=CC=NC(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1[O-]	REAL300028810591	1	48	-2.0	-98.27	379.98	3.86	-94.41
O=C(NC1(C2CCCN(C(=O)C3=CN=CC(O)=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028810659	0	45	-2.0	-85.01	362.25	0.70	-84.31
O=C(NC1(C2CCCN(C(=O)C3=CN=CC([O-])=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028810659	1	45	-2.0	-85.01	362.25	0.70	-84.31
O=C(CC1=NC([O-])=CS1)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028810761	0	45	-2.0	-104.94	377.09	-0.78	-105.72
CC1=CC(=O)C(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=N[N-]1	REAL300028810884	0	47	-2.0	-88.70	376.45	3.23	-85.47
O=C(NC1(C2CCCN(C(=O)C3=CC=CC(=O)N3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300028810902	0	46	-2.0	-111.09	377.65	2.97	-108.12
N#CC1=CC=C(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C(=O)[N-]1	REAL300028810922	0	46	-2.0	-84.26	385.73	0.94	-83.32
CN1N=C(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)[N-]C1=O	REAL300028810952	0	45	-2.0	-91.24	364.97	-0.28	-91.52
N#CC1=CC=C(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C([O-])=C1	REAL300028810987	0	47	-2.0	-96.19	385.83	4.05	-92.14
N#CC1=CC=C([O-])C(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300028810993	0	47	-2.0	-91.56	389.45	3.29	-88.27
O=C(NC1(C2CCCN(C(=O)C3=CC=C(F)C([O-])=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028811091	1	46	-2.0	-88.30	372.47	2.48	-85.82
O=C(NC1(C2CCCN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028811149	0	44	-2.0	-82.59	365.18	-3.41	-86.00
O=C(NC1(C2CCCN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028811149	1	44	-2.0	-82.59	365.18	-3.41	-86.00
NC1=NC=C(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C(=O)N1	REAL300028811189	0	46	-2.0	-86.48	369.77	-0.37	-86.85
NC1=NC=C(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C(=O)[N-]1	REAL300028811189	1	46	-2.0	-86.48	369.77	-0.37	-86.85
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028811286	0	42	-2.0	-88.60	342.46	-0.38	-88.98
CC1SC(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=NC1=O	REAL300028811303	0	45	-2.0	-89.26	374.52	0.31	-88.95
CC1=C([O-])N=C(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)S1	REAL300028811303	1	45	-2.0	-89.26	374.52	0.31	-88.95
O=C(NC1(C2CCCN(C(=O)C(=O)C3=CC=C(O)C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028811382	0	48	-2.0	-87.59	393.99	2.52	-85.07
O=C(NC1(C2CCCN(C(=O)C(=O)C3=CC=C([O-])C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028811382	1	48	-2.0	-87.59	393.99	2.52	-85.07
O=C(NC1(C2CCCN(C(=O)C3=CC(=O)NC([O-])=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028811420	0	46	-2.0	-83.93	377.70	-1.75	-85.68
CCN1[N-]C(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC1=O	REAL300028811465	0	49	-2.0	-87.81	392.07	2.19	-85.62
CN1[N-]C(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC1=O	REAL300028811481	0	46	-2.0	-86.97	370.26	1.26	-85.71
O=C(CC1=CC(=O)NN1)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811571	0	46	-2.0	-94.74	371.24	-0.06	-94.80
O=C(CC1=CC(=O)N[N-]1)N1CCCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300028811571	1	46	-2.0	-94.74	371.24	-0.06	-94.80
O=C(NC1(C2CCCN(C(=O)C3=CC=C(O)C(F)=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028811575	0	46	-2.0	-88.55	372.44	2.54	-86.01
O=C(NC1(C2CCCN(C(=O)C3=CC=C([O-])C(F)=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028811575	1	46	-2.0	-88.55	372.44	2.54	-86.01
CC1=CN=C(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C(O)=C1	REAL300028811644	0	48	-2.0	-99.76	381.09	3.82	-95.94
CC1=CN=C(C(=O)N2CCCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C([O-])=C1	REAL300028811644	1	48	-2.0	-99.76	381.09	3.82	-95.94
O=C(NC1(C2CCCN(C(=O)C3=CC([O-])=CS3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028811657	0	43	-2.0	-95.38	356.94	1.36	-94.02
O=C(NC1(C2CCCN(C(=O)C3=CN([O-])C(=O)C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300028811670	0	46	-2.0	-98.44	377.26	3.16	-95.28
CC(C)(CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=COC(=O)[N-]1	REAL300028812430	1	46	-2.0	-101.59	369.84	-2.66	-104.25
CN1N=C(C(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300028812517	0	49	-2.0	-93.68	391.98	-1.54	-95.22
CC(C)(CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=C[N-]N=CC1=O	REAL300028812549	0	48	-2.0	-90.60	378.74	0.50	-90.10
CC(C)(CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=CC(=O)N[N-]1	REAL300028812583	0	47	-2.0	-96.03	374.68	-1.68	-97.71
CC(C)(CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=NC(=O)N[N-]1	REAL300028812754	0	46	-2.0	-100.67	369.28	-2.97	-103.64
CN1[N-]C(C(=O)NC(C)(C)CN2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300028812842	0	50	-2.0	-97.80	397.48	0.04	-97.76
CC(C)(CN1CCN(C(=O)C2=NC=CC=C2[O-])CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028813196	1	49	-2.0	-102.63	389.98	2.08	-100.55
CC(C)(CN1CCN(C(=O)C2=COC(=O)[N-]2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028813671	1	46	-2.0	-101.99	368.22	-1.15	-103.14
CC(C)(CN1CCN(C(=O)C2=C[N-]N=CC2=O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028813742	0	48	-2.0	-84.67	380.39	0.26	-84.41
CC(C)(CN1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028813801	0	47	-2.0	-94.77	374.36	-1.17	-95.94
CC(C)(CN1CCN(C(=O)C2=NC(=O)N[N-]2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028813835	0	46	-2.0	-87.21	368.96	-1.78	-88.99
CN1N=C(C(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300028814051	0	49	-2.0	-97.47	391.62	-1.01	-98.48
CC(C)(CN1CCN(C(=O)C2=CC=NC=C2[O-])CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028814181	0	49	-2.0	-103.16	389.88	0.50	-102.66
CC(C)(CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028814184	0	46	-2.0	-102.39	369.42	-1.20	-103.59
CN1[N-]C(C(=O)N2CCN(CC(C)(C)NC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300028814271	0	50	-2.0	-95.95	397.17	0.53	-95.42
CC(C)(CN1CCN(C(=O)C2=CC([O-])=CS2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300028814361	0	47	-2.0	-105.32	383.46	0.57	-104.75
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300028815257	0	44	-2.0	-101.86	371.40	-2.33	-104.19
O=C(CN1C(=O)[N-]NC1=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815318	0	46	-2.0	-101.21	390.49	-1.31	-102.52
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300028815746	0	46	-2.0	-109.27	387.23	3.16	-106.11
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300028815834	0	46	-2.0	-97.29	383.30	-1.09	-98.38
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300028815845	1	42	-2.0	-88.63	359.77	-1.92	-90.55
O=C([N-]CC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300028815911	1	41	-2.0	-97.77	361.63	2.90	-94.87
CCN1[N-]C(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028815969	0	49	-2.0	-104.93	404.74	2.42	-102.51
O=C(CC1=CC(=O)N[N-]1)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028815976	1	46	-2.0	-104.37	385.31	-0.29	-104.66
CN1N=C(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300028816003	0	45	-2.0	-97.36	380.88	-0.70	-98.06
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300028816066	0	44	-2.0	-97.81	364.41	1.93	-95.88
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300028816137	0	43	-2.0	-90.80	364.59	-0.92	-91.72
C[PH](C)([O-])C(=O)C(=O)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816142	0	48	-2.0	-97.01	398.99	1.08	-95.93
O=C(CCC1=NC(=O)NN1)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816164	0	48	-2.0	-100.22	400.57	-1.25	-101.47
O=C(CCC1=NC(=O)[N-]N1)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816164	1	48	-2.0	-100.22	400.57	-1.25	-101.47
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300028816167	0	46	-2.0	-120.72	380.36	4.00	-116.72
CC1SC(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300028816188	0	45	-2.0	-108.86	386.39	-0.15	-109.01
CC1=C([O-])N=C(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300028816188	1	45	-2.0	-108.86	386.39	-0.15	-109.01
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300028816206	0	46	-2.0	-108.75	387.60	3.15	-105.60
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300028816231	0	46	-2.0	-120.52	374.16	5.06	-115.46
O=C(CC1=NC([O-])=CS1)NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300028816350	0	45	-2.0	-112.57	391.33	-0.98	-113.55
CC1=CC(=O)C(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300028816520	0	47	-2.0	-106.98	388.94	3.56	-103.42
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300028816531	0	42	-2.0	-89.07	359.19	-2.21	-91.28
CN1[N-]C(C(=O)NCC2CC3(CCC3)CN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028816732	0	46	-2.0	-93.79	387.41	0.78	-93.01
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300028816838	0	44	-2.0	-89.24	377.72	-3.97	-93.21
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300028816838	1	44	-2.0	-86.37	378.41	-3.23	-89.60
O=C(NCC1CC2(CCC2)CN1C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300028817193	1	45	-2.0	-106.68	375.48	3.10	-103.58
O=C(NCC1CC2(CCC2)CN1C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028817296	0	44	-2.0	-96.66	375.82	-2.71	-99.37
O=C(CN1C(=O)[N-]NC1=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028817404	0	46	-2.0	-97.58	392.62	-1.19	-98.77
N#CC1=CC([O-])=CC(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028818340	1	47	-2.0	-94.19	395.60	3.55	-90.64
O=C(NCC1CC2(CCC2)CN1C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300028818410	1	42	-2.0	-88.86	359.53	-0.77	-89.63
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300028818483	1	46	-2.0	-103.44	383.76	3.49	-99.95
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300028818488	0	45	-2.0	-88.31	383.75	1.85	-86.46
N#CC1=CC=C(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300028818491	1	47	-2.0	-94.92	395.40	3.43	-91.49
CC1=CC=C([O-])C(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300028818550	1	48	-2.0	-108.90	397.84	3.63	-105.27
O=C(NCC1CC2(CCC2)CN1C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300028818562	0	44	-2.0	-98.04	371.38	1.88	-96.16
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300028818569	0	46	-2.0	-127.58	376.98	4.78	-122.80
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300028818641	1	46	-2.0	-123.33	377.30	3.35	-119.98
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300028818716	0	43	-2.0	-101.48	359.85	0.05	-101.43
C[PH](C)([O-])C(=O)C(=O)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028818722	0	48	-2.0	-96.29	393.07	1.23	-95.06
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300028818781	0	46	-2.0	-117.97	379.81	3.82	-114.15
O=C(NCC1CC2(CCC2)CN1C(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300028818798	0	42	-2.0	-89.87	359.11	-1.39	-91.26
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300028818803	0	46	-2.0	-113.56	383.00	3.82	-109.74
NC1=CC(=O)[N-]C(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300028818890	0	46	-2.0	-101.15	388.38	-0.94	-102.09
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300028818923	1	46	-2.0	-117.05	377.97	4.77	-112.28
CC1=CC=NC(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300028818970	1	48	-2.0	-107.75	396.57	3.74	-104.01
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300028819038	1	45	-2.0	-106.54	371.92	1.26	-105.28
O=C(CC1=NC([O-])=CS1)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819140	0	45	-2.0	-112.03	393.46	-0.83	-112.86
O=C(NCC1CC2(CCC2)CN1C(=O)C1=C([O-])C=CC=C1F)C1=CC(=O)[N-]O1	REAL300028819153	0	46	-2.0	-103.91	393.77	2.72	-101.19
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300028819154	0	46	-2.0	-117.70	383.50	4.23	-113.47
CC1=CC(=O)C(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300028819263	0	47	-2.0	-95.98	393.26	3.16	-92.82
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300028819281	0	46	-2.0	-131.69	368.28	5.54	-126.15
N#CC1=CC=C(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028819301	0	46	-2.0	-100.55	397.63	1.71	-98.84
CN1N=C(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300028819331	0	45	-2.0	-98.09	381.78	-0.42	-98.51
N#CC1=CC=C(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300028819366	0	47	-2.0	-114.46	398.51	4.44	-110.02
N#CC1=CC=C([O-])C(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300028819372	0	47	-2.0	-109.62	393.74	4.94	-104.68
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300028819470	1	46	-2.0	-99.49	381.44	3.05	-96.44
O=C(NCC1CC2(CCC2)CN1C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300028819528	0	44	-2.0	-86.88	377.95	-2.29	-89.17
O=C(NCC1CC2(CCC2)CN1C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300028819528	1	44	-2.0	-86.88	377.95	-2.29	-89.17
NC1=NC=C(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300028819568	0	46	-2.0	-102.88	381.01	0.48	-102.40
NC1=NC=C(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028819568	1	46	-2.0	-102.88	381.01	0.48	-102.40
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300028819665	0	42	-2.0	-93.17	359.34	-0.43	-93.60
CC1SC(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300028819682	0	45	-2.0	-94.21	391.44	0.04	-94.17
CC1=C([O-])N=C(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300028819682	1	45	-2.0	-94.21	391.44	0.04	-94.17
O=C(NCC1CC2(CCC2)CN1C(=O)C(=O)C1=CC=C(O)C=C1)C1=CC(=O)[N-]O1	REAL300028819761	0	48	-2.0	-98.69	397.34	3.34	-95.35
O=C(NCC1CC2(CCC2)CN1C(=O)C(=O)C1=CC=C([O-])C=C1)C1=CC(=O)[N-]O1	REAL300028819761	1	48	-2.0	-98.69	397.34	3.34	-95.35
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300028819799	0	46	-2.0	-98.45	380.83	-1.15	-99.60
CCN1[N-]C(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028819844	0	49	-2.0	-105.84	404.39	2.69	-103.15
CN1[N-]C(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028819860	0	46	-2.0	-104.63	382.58	1.75	-102.88
O=C(CC1=CC(=O)N[N-]1)N1CC2(CCC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300028819950	1	46	-2.0	-100.37	387.61	-0.11	-100.48
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300028819954	1	46	-2.0	-101.29	381.41	3.09	-98.20
CC1=CN=C(C(=O)N2CC3(CCC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300028820023	1	48	-2.0	-109.46	397.69	3.68	-105.78
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300028820036	0	43	-2.0	-113.87	366.56	2.06	-111.81
O=C(NCC1CC2(CCC2)CN1C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300028820049	0	46	-2.0	-117.14	380.34	3.75	-113.39
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300028820608	1	42	-2.0	-93.78	363.92	-0.17	-93.95
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028820915	0	42	-2.0	-92.16	366.42	-0.86	-93.02
O=C(CCCN1C(=O)[N-]NC1=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821465	0	43	-2.0	-102.42	377.24	-2.01	-104.43
CC(C)CN1[N-]C(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028821663	0	49	-2.0	-110.88	411.98	1.79	-109.09
O=C(CCC1=NNC(=O)[N-]C1=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821757	0	41	-2.0	-98.25	364.98	-4.74	-102.99
CC(=O)[N-]C1=NC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300028821758	1	39	-2.0	-87.46	355.97	-0.75	-88.21
O=C(CCN1C=C[N-]C(=O)C1=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028821972	1	42	-2.0	-100.08	370.79	-0.62	-100.70
COC1=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300028822117	1	40	-2.0	-95.55	352.03	-3.55	-99.10
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300028822268	0	35	-2.0	-100.29	317.33	-4.64	-104.93
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028822410	0	37	-2.0	-104.06	334.42	-3.24	-107.30
CC1=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C(C)C)=N1	REAL300028822453	1	47	-2.0	-108.86	399.99	0.37	-108.49
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CN([O-])C(=O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300028823506	0	37	-2.0	-101.10	336.12	1.13	-99.97
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)NC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300028823713	0	37	-2.0	-91.68	329.59	-4.04	-95.72
O=C(N[C@]12C[C@H]1CN(C(=O)C1=COC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300028823729	1	33	-2.0	-89.55	300.83	-2.73	-92.28
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300028823792	1	45	-2.0	-107.06	387.32	0.48	-106.58
CCN1[N-]C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028824013	0	40	-2.0	-97.38	350.41	0.08	-97.30
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824024	1	37	-2.0	-107.51	329.98	-2.16	-109.67
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC=CC(=S)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300028824051	0	37	-2.0	-128.25	346.43	1.52	-126.73
O=C(CC1SC(=O)[N-]C1=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824070	0	37	-2.0	-93.17	342.74	-3.66	-96.83
CN1N=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300028824090	0	36	-2.0	-100.79	323.40	-2.38	-103.17
CC1=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)NC(C2CC2)=N1	REAL300028824222	0	45	-2.0	-109.37	390.17	0.57	-108.80
CC1=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300028824222	1	45	-2.0	-109.37	390.17	0.57	-108.80
O=C(N[C@]12C[C@H]1CN(C(=O)C1=C[N-]N=CC1=O)C2)C1=CC(=O)[N-]O1	REAL300028824238	0	35	-2.0	-96.11	319.67	-1.03	-97.14
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2)C1=CC(=O)[N-]O1	REAL300028824282	0	39	-2.0	-110.78	345.43	-0.66	-111.44
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300028824409	0	34	-2.0	-93.48	305.85	-2.58	-96.06
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824414	0	39	-2.0	-95.48	344.83	-1.47	-96.95
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC=CN([O-])C1=O)C2)C1=CC(=O)[N-]O1	REAL300028824468	0	37	-2.0	-103.11	329.81	0.90	-102.21
CSC1=NC=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300028824494	0	39	-2.0	-106.67	361.79	-1.15	-107.82
CSC1=NC=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028824494	1	39	-2.0	-106.67	361.79	-1.15	-107.82
CC1SC(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300028824522	0	36	-2.0	-94.45	332.82	-1.91	-96.36
CC1=C([O-])N=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300028824522	1	36	-2.0	-94.45	332.82	-1.91	-96.36
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)C=C(Cl)N1)C2)C1=CC(=O)[N-]O1	REAL300028824546	0	36	-2.0	-89.92	335.81	0.95	-88.97
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300028824546	1	36	-2.0	-89.92	335.81	0.95	-88.97
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300028824574	0	37	-2.0	-101.82	336.60	1.13	-100.69
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC=CC(=O)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300028824649	0	37	-2.0	-124.98	335.32	0.89	-124.09
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824867	0	36	-2.0	-94.53	339.22	-2.96	-97.49
NC1=NC([O-])=C(CC(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300028824868	0	38	-2.0	-118.66	350.48	-3.78	-122.44
O=C(CC1=NC([O-])=CS1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824947	0	36	-2.0	-119.17	335.44	-2.90	-122.07
CCC1=NC=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028824979	1	41	-2.0	-92.50	352.81	-0.76	-93.26
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028824993	0	38	-2.0	-110.08	344.77	-4.36	-114.44
O=C(N[C@]12C[C@H]1CN(C(=O)C1=C(Cl)C(=O)[N-]S1)C2)C1=CC(=O)[N-]O1	REAL300028825092	0	33	-2.0	-94.74	321.14	-1.92	-96.66
COCC1=NC=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300028825232	0	42	-2.0	-94.68	367.43	-2.59	-97.27
COCC1=NC=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028825232	1	42	-2.0	-94.68	367.43	-2.59	-97.27
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CN=C(CC3CC3)NC1=O)C2)C1=CC(=O)[N-]O1	REAL300028825247	0	45	-2.0	-105.54	391.40	0.94	-104.60
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CN=C(CC3CC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300028825247	1	45	-2.0	-105.54	391.40	0.94	-104.60
CC1=CC(=O)C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300028825355	0	38	-2.0	-100.21	334.53	1.22	-98.99
CN1N=CC2=C1[N-]C=C(C(=O)N1C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C1)C2=O	REAL300028825360	0	42	-2.0	-100.41	374.48	0.80	-99.61
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NNC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300028825378	0	33	-2.0	-97.17	300.33	-4.06	-101.23
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300028825408	0	38	-2.0	-92.07	350.72	0.08	-91.99
O=C(N[C@]12C[C@H]1CN(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300028825408	1	38	-2.0	-92.07	350.72	0.08	-91.99
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CN=C(C=N[O-])S1)C2)C1=CC(=O)[N-]O1	REAL300028825571	0	36	-2.0	-104.16	339.62	-1.67	-105.83
CN1[N-]C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028825857	0	37	-2.0	-96.28	328.46	-0.89	-97.17
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC=CC3=C1C(=O)[N-]C3=O)C2)C1=CC(=O)[N-]O1	REAL300028825867	1	40	-2.0	-120.81	354.43	-1.24	-122.05
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028825871	0	37	-2.0	-97.16	345.90	-2.95	-100.11
CC1=C(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300028825872	1	39	-2.0	-114.93	358.70	-1.53	-116.46
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2)C1=CC(=O)[N-]O1	REAL300028826137	0	35	-2.0	-89.82	318.68	-5.05	-94.87
O=C(N[C@]12C[C@H]1CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300028826137	1	35	-2.0	-87.70	319.82	-4.20	-91.90
O=C(COC1=NC(=O)[N-]C(=O)N1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028826237	0	39	-2.0	-97.46	355.82	-6.63	-104.09
O=C(COC1=NC(=O)NC(=O)[N-]1)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028826237	1	39	-2.0	-93.86	356.23	-6.53	-100.39
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028826415	0	39	-2.0	-104.45	350.94	-2.28	-106.73
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC=CC=C1[O-]	REAL300028826660	1	36	-2.0	-106.10	317.78	0.41	-105.69
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028826790	1	42	-2.0	-96.18	367.53	-0.73	-96.91
CC(=O)[N-]C1=NC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CS1	REAL300028826808	1	39	-2.0	-88.98	355.85	-1.37	-90.35
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NNC(=O)[N-]C1=O	REAL300028826849	0	35	-2.0	-96.62	317.49	-5.10	-101.72
COC1=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)NC(=O)[N-]C1=O	REAL300028826919	1	40	-2.0	-96.16	351.06	-3.76	-99.92
O=C(CN1C(=O)[N-]NC1=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028827132	0	37	-2.0	-101.58	331.41	-3.31	-104.89
O=C(CN1[N-]C=C2C1=NC=NC2=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028827202	0	41	-2.0	-99.11	365.05	-0.44	-99.55
O=C(CCCN1C(=O)[N-]NC1=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828400	0	43	-2.0	-98.79	373.91	-2.16	-100.95
CC(C)CN1[N-]C(CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300028828611	0	49	-2.0	-103.27	408.53	1.60	-101.67
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C2CC2)[N-]C1=O	REAL300028828671	1	42	-2.0	-93.36	362.20	0.17	-93.19
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028828925	0	42	-2.0	-83.03	367.97	-1.51	-84.54
CC1=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]C(C(C)C)=N1	REAL300028829480	1	47	-2.0	-93.53	388.83	0.63	-92.90
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028829827	0	41	-2.0	-94.72	361.78	-4.87	-99.59
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300028829837	0	39	-2.0	-95.81	348.71	2.42	-93.39
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(Cl)=CC=C1[O-]	REAL300028829856	1	37	-2.0	-102.09	337.38	2.65	-99.44
N#CC1=CC([O-])=CC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028829897	1	38	-2.0	-88.96	343.70	0.95	-88.01
NC1=CC=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1Cl	REAL300028829934	0	39	-2.0	-107.74	349.78	0.69	-107.05
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300028830006	0	39	-2.0	-111.05	346.69	3.41	-107.64
CCC1=NC=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300028830045	1	41	-2.0	-92.06	350.60	-0.39	-92.45
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=COC(=O)[N-]1	REAL300028830075	1	33	-2.0	-91.74	301.03	-3.93	-95.67
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC([O-])=C1[N+](=O)[O-]	REAL300028830172	0	39	-2.0	-110.84	349.69	2.35	-108.49
O=C(C[N-]C(=O)C(F)(F)F)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830192	0	36	-2.0	-91.79	335.84	-3.05	-94.84
NC1=NC([O-])=C(CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300028830193	0	38	-2.0	-105.50	347.16	-3.89	-109.39
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C(F)C=C([O-])C=C1F	REAL300028830206	0	37	-2.0	-90.29	339.14	0.55	-89.74
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([O-])C=C1F	REAL300028830239	1	37	-2.0	-94.99	327.26	0.70	-94.29
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC([O-])=C2SC=CC2=C1	REAL300028830250	1	40	-2.0	-98.09	359.66	1.96	-96.13
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC([O-])=CC(=O)O1	REAL300028830253	0	36	-2.0	-91.46	326.17	-0.18	-91.64
N#CC1=CC=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1[O-]	REAL300028830268	1	38	-2.0	-91.67	342.86	1.01	-90.66
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(Cl)=NC=C1[O-]	REAL300028830274	0	36	-2.0	-97.88	333.41	0.80	-97.08
N#CC1=CC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C(N)[N-]C1=O	REAL300028830283	0	39	-2.0	-90.16	346.64	-2.03	-92.19
O=C([N-][C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C(F)(F)C(F)(F)C(F)F	REAL300028830285	0	35	-2.0	-89.51	331.06	0.19	-89.32
O=C(CN1N=CC(=O)[N-]C1=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830304	0	38	-2.0	-99.01	341.47	-4.45	-103.46
O=C(CCC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830421	0	39	-2.0	-95.16	341.74	-2.76	-97.92
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]N=CC1=O	REAL300028830450	0	35	-2.0	-85.09	310.30	-0.74	-85.83
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(F)=C1[O-]	REAL300028830465	0	37	-2.0	-110.45	326.90	2.21	-108.24
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC([O-])=C1F	REAL300028830623	1	37	-2.0	-107.05	327.22	0.66	-106.39
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300028830721	0	39	-2.0	-93.10	348.70	2.36	-90.74
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N[N-]1	REAL300028830800	0	34	-2.0	-92.11	305.71	-2.93	-95.04
C[PH](C)([O-])C(=O)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830808	0	39	-2.0	-92.50	344.72	-1.65	-94.15
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028830843	0	42	-2.0	-107.08	373.71	2.02	-105.06
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(CC2CC2)[N-]C1=O	REAL300028830867	1	45	-2.0	-92.17	381.53	1.20	-90.97
NC1=CC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C(F)C([O-])=C1F	REAL300028830882	0	39	-2.0	-108.10	347.73	-1.33	-109.43
COCC1=NC=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300028830893	1	42	-2.0	-92.90	363.53	-2.15	-95.05
CC1=CC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC([N+](=O)[O-])=C1[O-]	REAL300028830903	0	42	-2.0	-92.29	368.90	3.11	-89.18
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(F)=CC(F)=C1[O-]	REAL300028830932	0	37	-2.0	-101.93	333.28	2.26	-99.67
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N([O-])C=C1	REAL300028830969	0	37	-2.0	-108.15	328.74	1.12	-107.03
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(F)=C(F)C([O-])=C1F	REAL300028831010	0	37	-2.0	-99.76	339.54	0.77	-98.99
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)N[N-]1	REAL300028831012	0	33	-2.0	-92.10	300.78	-4.20	-96.30
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C([O-])C=CC=C1Cl	REAL300028831017	1	37	-2.0	-96.17	341.94	0.91	-95.26
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CN([O-])C1=O	REAL300028831027	0	37	-2.0	-104.09	325.71	1.31	-102.78
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C(F)C=CC([O-])=C1F	REAL300028831076	1	37	-2.0	-102.20	339.03	0.51	-101.69
CC1=NC2=NC=C(C(=O)N[C@]34C[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)C(=O)N2[N-]1	REAL300028831171	0	41	-2.0	-90.64	357.73	2.35	-88.29
NC1=CC(=O)[N-]C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028831221	0	37	-2.0	-101.44	329.62	-3.50	-104.94
N#CC1=CN(CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]C1=O	REAL300028831237	0	40	-2.0	-112.48	366.14	-2.16	-114.64
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([O-])C(Cl)=C1	REAL300028831314	0	37	-2.0	-91.67	338.69	1.15	-90.52
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(F)=CC=C1[O-]	REAL300028831323	1	37	-2.0	-101.45	327.06	2.19	-99.26
CC1=CC=NC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1[O-]	REAL300028831439	1	39	-2.0	-106.09	338.09	1.11	-104.98
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C(Cl)C(F)=C1[O-]	REAL300028831508	0	37	-2.0	-105.98	343.62	2.76	-103.22
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=CC([O-])=C1	REAL300028831649	1	36	-2.0	-97.94	317.72	-1.22	-99.16
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=S)N1[O-]	REAL300028831665	0	37	-2.0	-127.17	337.05	3.11	-124.06
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C2CCC2)[N-]C1=O	REAL300028831840	1	45	-2.0	-93.15	377.82	0.79	-92.36
NC1=CC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC([O-])=C1Cl	REAL300028831859	1	39	-2.0	-93.74	351.46	-0.92	-94.66
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([O-])C(Cl)=N1	REAL300028831864	0	36	-2.0	-88.32	336.07	-0.67	-88.99
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831942	0	41	-2.0	-94.40	358.44	0.64	-93.76
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([O-])C=C1Cl	REAL300028831949	1	37	-2.0	-93.40	335.24	1.14	-92.26
N#CC1=CC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C([O-])C=C1N	REAL300028831952	0	40	-2.0	-100.71	354.98	0.48	-100.23
O=C(CC1=NC([O-])=CS1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831967	0	36	-2.0	-107.96	332.23	-3.03	-110.99
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C([O-])C=CC=C1F	REAL300028831995	1	37	-2.0	-108.82	332.45	0.54	-108.28
O=C(CN1[N-]C(=O)C=CC1=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028831999	0	39	-2.0	-101.07	347.74	-2.37	-103.44
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C(F)C=C1[O-]	REAL300028832004	0	37	-2.0	-104.45	326.98	2.23	-102.22
CC1=CC=C(F)C([O-])=C1C(=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028832064	0	40	-2.0	-97.87	352.02	1.11	-96.76
O=C(CC1SC(=O)[N-]C1=O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028832177	0	37	-2.0	-93.17	340.34	-3.76	-96.93
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([O-])C(F)=C1F	REAL300028832211	0	37	-2.0	-96.85	334.03	0.80	-96.05
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300028832215	1	38	-2.0	-83.89	342.03	-0.61	-84.50
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(Cl)=C1[O-]	REAL300028832222	0	37	-2.0	-105.10	336.71	2.68	-102.42
CC1=CC(=O)C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300028832266	0	38	-2.0	-96.71	334.65	0.75	-95.96
O=C(C=C([O-])C1=CC=C(O)C=C1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028832271	0	42	-2.0	-108.76	364.44	0.62	-108.14
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=O)N1[O-]	REAL300028832310	0	37	-2.0	-124.11	325.94	2.08	-122.03
N#CC1=CC=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300028832360	0	37	-2.0	-86.86	335.81	-0.87	-87.73
O=C(COC1=NC(=O)[N-]C(=O)N1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028832361	0	39	-2.0	-96.11	352.78	-6.85	-102.96
O=C(COC1=NC(=O)NC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028832361	1	39	-2.0	-91.59	352.55	-6.81	-98.40
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300028832393	0	39	-2.0	-91.19	348.81	1.80	-89.39
CN1N=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300028832443	0	36	-2.0	-98.75	323.50	-2.69	-101.44
[N-]=[N+]=NC1=CC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC=C1[O-]	REAL300028832490	0	39	-2.0	-91.99	350.47	-1.54	-93.53
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C(F)C=CC(O)=C1O	REAL300028832537	0	38	-2.0	-108.93	343.40	-1.40	-110.33
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C(F)C=CC(O)=C1[O-]	REAL300028832537	1	38	-2.0	-108.93	343.40	-1.40	-110.33
N#CC1=CC=C([O-])C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028832551	0	38	-2.0	-98.61	341.42	2.58	-96.03
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)NC1=O	REAL300028832714	0	37	-2.0	-91.66	330.93	-1.21	-92.87
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(Cl)=C(F)C=C1[O-]	REAL300028832758	0	37	-2.0	-98.22	343.81	2.76	-95.46
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C(F)C([O-])=C1	REAL300028832798	1	37	-2.0	-95.53	328.93	0.62	-94.91
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C([O-])C2=NC=CC=C2C=C1	REAL300028832808	1	42	-2.0	-116.57	362.03	2.67	-113.90
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300028832812	0	39	-2.0	-101.19	349.05	2.85	-98.34
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300028832816	0	39	-2.0	-94.36	348.76	2.83	-91.53
O=C([N-][C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C(F)(F)C(F)(F)F	REAL300028832818	0	32	-2.0	-85.35	306.67	-0.51	-85.86
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C(Cl)C=C1[O-]	REAL300028832830	1	37	-2.0	-104.30	337.31	2.68	-101.62
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300028832862	0	39	-2.0	-88.25	350.95	1.23	-87.02
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)[N-]C(=O)N1	REAL300028832971	0	35	-2.0	-88.82	319.71	-5.25	-94.07
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)NC(=O)[N-]1	REAL300028832971	1	35	-2.0	-88.82	319.71	-5.25	-94.07
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C2N=NN([O-])C2=C1	REAL300028833021	0	39	-2.0	-105.10	345.38	-0.32	-105.42
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C(O)C2=CC=CC=C2C=N1	REAL300028833070	0	42	-2.0	-111.65	363.02	2.76	-108.89
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C([O-])C2=CC=CC=C2C=N1	REAL300028833070	1	42	-2.0	-111.65	363.02	2.76	-108.89
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C(Cl)C(=O)[N-]S1	REAL300028833071	0	33	-2.0	-92.44	323.27	-1.63	-94.07
NC1=NC=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300028833100	0	37	-2.0	-92.29	324.43	-2.07	-94.36
NC1=NC=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300028833100	1	37	-2.0	-92.29	324.43	-2.07	-94.36
CC1=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C(=O)C(C#N)=C1	REAL300028833143	0	40	-2.0	-88.87	355.59	-0.27	-89.14
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(F)=C([O-])C(Cl)=C1	REAL300028833244	0	37	-2.0	-91.82	344.94	1.24	-90.58
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300028833253	0	38	-2.0	-90.36	342.64	0.08	-90.28
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300028833253	1	38	-2.0	-90.36	342.64	0.08	-90.28
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C2N[N-]N=C2C1=O	REAL300028833263	0	39	-2.0	-101.67	340.90	0.50	-101.17
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC=CC(Cl)=C1[O-]	REAL300028833276	0	36	-2.0	-102.14	333.95	0.94	-101.20
O=C(CC1=CC=C(O)C(Cl)=C1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833283	0	40	-2.0	-102.48	363.38	1.81	-100.67
O=C(CC1=CC=C([O-])C(Cl)=C1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833283	1	40	-2.0	-102.48	363.38	1.81	-100.67
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C(F)(F)C(F)F	REAL300028833338	0	32	-2.0	-88.58	300.85	-0.64	-89.22
O=C([N-][C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C(F)(F)C(F)F	REAL300028833338	1	32	-2.0	-88.58	300.85	-0.64	-89.22
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=NC=C1O	REAL300028833347	0	36	-2.0	-104.82	315.57	0.32	-104.50
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=NC=C1[O-]	REAL300028833347	1	36	-2.0	-104.82	315.57	0.32	-104.50
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)[N-]O1	REAL300028833357	0	33	-2.0	-95.48	300.45	-2.46	-97.94
CC1SC(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300028833408	0	36	-2.0	-98.15	332.95	-2.80	-100.95
CC1=C([O-])N=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300028833408	1	36	-2.0	-98.15	332.95	-2.80	-100.95
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C(O)C=CC2=CC=CC=C21	REAL300028833470	0	43	-2.0	-116.51	371.13	2.67	-113.84
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C([O-])C=CC2=CC=CC=C21	REAL300028833470	1	43	-2.0	-116.51	371.13	2.67	-113.84
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C(O)C2=CC=CC=C2C=C1	REAL300028833489	0	43	-2.0	-110.65	365.50	4.50	-106.15
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C([O-])C2=CC=CC=C2C=C1	REAL300028833489	1	43	-2.0	-110.65	365.50	4.50	-106.15
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC2=CC=CC=C2C=C1O	REAL300028833498	0	43	-2.0	-113.40	367.29	4.48	-108.92
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC2=CC=CC=C2C=C1[O-]	REAL300028833498	1	43	-2.0	-113.40	367.29	4.48	-108.92
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C(=O)C1=CC=C(O)C=C1	REAL300028833557	0	39	-2.0	-93.32	343.02	0.45	-92.87
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C(=O)C1=CC=C([O-])C=C1	REAL300028833557	1	39	-2.0	-93.32	343.02	0.45	-92.87
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C=N[O-])S1	REAL300028833597	0	36	-2.0	-101.74	341.20	-1.36	-103.10
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)C=C(Cl)N1	REAL300028833635	0	36	-2.0	-88.64	336.09	0.33	-88.31
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)C=C(Cl)[N-]1	REAL300028833635	1	36	-2.0	-88.64	336.09	0.33	-88.31
CSC1=NC=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300028833666	0	39	-2.0	-92.54	352.37	-0.90	-93.44
CSC1=NC=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300028833666	1	39	-2.0	-92.54	352.37	-0.90	-93.44
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)NC([O-])=C1	REAL300028833676	0	37	-2.0	-90.33	328.93	-3.77	-94.10
CCN1[N-]C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300028833774	0	40	-2.0	-95.56	350.49	-0.31	-95.87
O=C(CNC(=O)C1=NC=CC=C1O)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833786	0	43	-2.0	-104.48	376.91	-0.99	-105.47
O=C(CNC(=O)C1=NC=CC=C1[O-])N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833786	1	43	-2.0	-104.48	376.91	-0.99	-105.47
CN1[N-]C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300028833800	0	37	-2.0	-94.68	328.76	-1.23	-95.91
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC2=C1C(=O)NC2=O	REAL300028833814	0	40	-2.0	-111.25	351.24	-0.90	-112.15
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300028833814	1	40	-2.0	-111.25	351.24	-0.90	-112.15
O=C(CSC1=NNC(=O)[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028833819	0	37	-2.0	-95.00	342.87	-3.10	-98.10
CC1=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=S)NC(=O)N1	REAL300028833821	0	39	-2.0	-119.38	355.91	-1.81	-121.19
CC1=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=S)[N-]C(=O)N1	REAL300028833821	1	39	-2.0	-119.38	355.91	-1.81	-121.19
CC1=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)NC(C2CC2)=N1	REAL300028833832	0	45	-2.0	-93.82	377.58	0.85	-92.97
CC1=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]C(C2CC2)=N1	REAL300028833832	1	45	-2.0	-93.82	377.58	0.85	-92.97
O=C(CC1=CC(=O)N[N-]1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028834027	1	37	-2.0	-100.50	326.48	-2.31	-102.81
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([O-])C(F)=C1	REAL300028834034	1	37	-2.0	-94.99	328.89	0.66	-94.33
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(F)=C([O-])C(F)=C1	REAL300028834108	0	37	-2.0	-95.22	335.21	0.73	-94.49
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=NC(Cl)=C1[O-]	REAL300028834114	0	36	-2.0	-102.28	332.73	0.84	-101.44
CC1=C(CC(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N(C)[N-]1	REAL300028834139	0	43	-2.0	-107.96	370.02	0.12	-107.84
O=C(CCC(=O)C1=CC=C([O-])C=C1)N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300028834151	1	45	-2.0	-95.46	388.82	1.92	-93.54
CC1=CN=C(C(=O)N[C@]23C[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300028834195	1	39	-2.0	-107.37	339.57	1.10	-106.27
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C(O)C=CC(Cl)=C1[O-]	REAL300028834214	0	38	-2.0	-93.60	353.10	-1.76	-95.36
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC([O-])=CS1	REAL300028834240	0	34	-2.0	-100.21	314.99	-0.46	-100.67
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)C=C1	REAL300028834268	0	37	-2.0	-107.36	328.49	1.15	-106.21
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(F)=CC(Cl)=C1[O-]	REAL300028834276	0	37	-2.0	-98.10	343.08	2.73	-95.37
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CN([O-])C(=O)NC1=O)C2)C1=CC(=O)[N-]O1	REAL300028834334	0	37	-2.0	-94.14	335.19	-1.65	-95.79
O=C(N[C@]12C[C@H]1CN(C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300028834374	1	38	-2.0	-94.28	351.99	-0.91	-95.19
O=C(C1=CC(=O)[N-]O1)N1CCC[C@@H]2CN(C(=O)C3=NNC(=O)[N-]C3=O)CC[C@@H]21	REAL300028835298	0	44	-2.0	-88.92	352.40	-1.73	-90.65
O=C(CN1C(=O)[N-]NC1=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835359	0	46	-2.0	-90.43	369.44	-0.18	-90.61
O=C(C1=CC(=O)[N-]O1)N1CCC[C@@H]2CN(C(=O)C3=CN([O-])C(=O)C=C3)CC[C@@H]21	REAL300028835787	0	46	-2.0	-98.55	363.56	3.86	-94.69
O=C(C1=CC(=O)[N-]O1)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)NC([O-])=C3)CC[C@@H]21	REAL300028835875	0	46	-2.0	-84.76	365.70	-1.08	-85.84
O=C(C1=COC(=O)[N-]1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028835886	1	42	-2.0	-87.07	335.74	0.56	-86.51
CCN1[N-]C(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028836010	0	49	-2.0	-88.16	384.74	3.01	-85.15
O=C(CC1=CC(=O)N[N-]1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836017	1	46	-2.0	-93.25	364.37	0.87	-92.38
CN1N=C(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300028836044	0	45	-2.0	-90.95	357.69	0.57	-90.38
O=C(C1=CC(=O)[N-]O1)N1CCC[C@@H]2CN(C(=O)C3=C[N-]N=CC3=O)CC[C@@H]21	REAL300028836107	0	44	-2.0	-87.05	354.32	2.03	-85.02
O=C(C1=CC(=O)N[N-]1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836178	0	43	-2.0	-85.07	340.08	0.36	-84.71
C[PH](C)([O-])C(=O)C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836183	0	48	-2.0	-84.54	379.18	1.28	-83.26
O=C(C1=CC(=O)[N-]O1)N1CCC[C@@H]2CN(C(=O)C3=CC=CN([O-])C3=O)CC[C@@H]21	REAL300028836208	0	46	-2.0	-113.22	370.06	4.01	-109.21
CC1SC(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300028836229	0	45	-2.0	-94.54	366.90	1.20	-93.34
CC1=C([O-])N=C(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300028836229	1	45	-2.0	-94.54	366.90	1.20	-93.34
O=C(C1=CC(=O)[N-]O1)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)N([O-])C=C3)CC[C@@H]21	REAL300028836247	0	46	-2.0	-98.59	370.58	4.05	-94.54
O=C(C1=CC(=O)[N-]O1)N1CCC[C@@H]2CN(C(=O)C3=CC=CC(=O)N3[O-])CC[C@@H]21	REAL300028836272	0	46	-2.0	-114.72	370.41	3.83	-110.89
O=C(CC1=NC([O-])=CS1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836391	0	45	-2.0	-104.74	370.27	0.17	-104.57
CC1=CC(=O)C(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300028836561	0	47	-2.0	-87.64	369.58	4.13	-83.51
O=C(C1=NC(=O)N[N-]1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028836572	0	42	-2.0	-86.43	334.82	-0.20	-86.63
CN1[N-]C(C(=O)N2CC[C@H]3[C@H](CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028836773	0	46	-2.0	-87.42	363.01	2.06	-85.36
O=C(C1=CC(=O)[N-]O1)N1CCC[C@@H]2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)CC[C@@H]21	REAL300028836879	0	44	-2.0	-89.36	353.89	-2.04	-91.40
O=C(C1=CC(=O)[N-]O1)N1CCC[C@@H]2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)CC[C@@H]21	REAL300028836879	1	44	-2.0	-83.05	356.06	-1.76	-84.81
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=NC=CC=C2[O-])C1	REAL300028837234	1	45	-2.0	-97.94	352.87	4.07	-93.87
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300028837337	0	44	-2.0	-89.40	352.49	-1.71	-91.11
O=C(CN1C(=O)[N-]NC1=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028837445	0	46	-2.0	-91.10	369.31	-0.28	-91.38
N#CC1=CC([O-])=CC(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=C1	REAL300028838381	1	47	-2.0	-84.21	380.40	3.68	-80.53
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=COC(=O)[N-]2)C1	REAL300028838451	1	42	-2.0	-84.92	335.35	0.48	-84.44
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC=C([O-])C=C2F)C1	REAL300028838524	1	46	-2.0	-87.50	365.22	3.40	-84.10
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300028838529	0	45	-2.0	-85.42	363.02	2.92	-82.50
N#CC1=CC=C(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C=C1[O-]	REAL300028838532	1	47	-2.0	-87.68	378.45	3.73	-83.95
CC1=CC=C([O-])C(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=N1	REAL300028838591	1	48	-2.0	-98.39	377.33	3.94	-94.45
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=C[N-]N=CC2=O)C1	REAL300028838603	0	44	-2.0	-83.86	353.65	1.91	-81.95
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300028838610	0	46	-2.0	-99.54	367.69	3.77	-95.77
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC=CC([O-])=C2F)C1	REAL300028838682	1	46	-2.0	-96.28	367.97	3.45	-92.83
O=C(C1=CC(=O)N[N-]1)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838757	0	43	-2.0	-85.00	340.19	0.40	-84.60
C[PH](C)([O-])C(=O)C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028838763	0	48	-2.0	-85.33	379.26	1.36	-83.97
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300028838822	0	46	-2.0	-99.98	370.59	4.08	-95.90
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=NC(=O)N[N-]2)C1	REAL300028838839	0	42	-2.0	-84.32	335.07	-0.22	-84.54
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC=CN([O-])C2=O)C1	REAL300028838844	0	46	-2.0	-106.21	365.41	3.88	-102.33
NC1=CC(=O)[N-]C(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=N1	REAL300028838931	0	46	-2.0	-93.06	364.87	0.01	-93.05
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300028838964	1	46	-2.0	-93.02	364.40	4.59	-88.43
CC1=CC=NC(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=C1[O-]	REAL300028839011	1	48	-2.0	-97.37	376.67	3.70	-93.67
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CN=CC([O-])=C2)C1	REAL300028839079	1	45	-2.0	-89.28	351.21	1.35	-87.93
O=C(CC1=NC([O-])=CS1)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839181	0	45	-2.0	-103.09	370.14	0.10	-102.99
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=C([O-])C=CC=C2F)C1	REAL300028839194	0	46	-2.0	-96.49	371.12	3.67	-92.82
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300028839195	0	46	-2.0	-95.42	360.91	4.68	-90.74
CC1=CC(=O)C(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=N[N-]1	REAL300028839304	0	47	-2.0	-89.03	369.66	4.16	-84.87
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300028839322	0	46	-2.0	-112.41	370.65	3.85	-108.56
N#CC1=CC=C(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C(=O)[N-]1	REAL300028839342	0	46	-2.0	-82.12	366.66	1.48	-80.64
CN1N=C(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)[N-]C1=O	REAL300028839372	0	45	-2.0	-91.05	357.95	0.70	-90.35
N#CC1=CC=C(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C([O-])=C1	REAL300028839407	0	47	-2.0	-92.62	379.37	4.89	-87.73
N#CC1=CC=C([O-])C(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=C1	REAL300028839413	0	47	-2.0	-90.57	378.50	5.00	-85.57
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300028839511	1	46	-2.0	-91.54	364.51	3.36	-88.18
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300028839569	0	44	-2.0	-82.08	354.37	-1.30	-83.38
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300028839569	1	44	-2.0	-82.08	354.37	-1.30	-83.38
NC1=NC=C(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C(=O)N1	REAL300028839609	0	46	-2.0	-91.41	363.06	0.52	-90.89
NC1=NC=C(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C(=O)[N-]1	REAL300028839609	1	46	-2.0	-91.41	363.06	0.52	-90.89
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300028839706	0	42	-2.0	-89.42	335.55	0.47	-88.95
CC1SC(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=NC1=O	REAL300028839723	0	45	-2.0	-90.81	367.29	1.19	-89.62
CC1=C([O-])N=C(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)S1	REAL300028839723	1	45	-2.0	-90.81	367.29	1.19	-89.62
O=C(C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C1=CC=C(O)C=C1	REAL300028839802	0	48	-2.0	-87.97	387.16	3.45	-84.52
O=C(C(=O)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C1=CC=C([O-])C=C1	REAL300028839802	1	48	-2.0	-87.97	387.16	3.45	-84.52
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300028839840	0	46	-2.0	-84.11	371.70	-0.77	-84.88
CCN1[N-]C(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=CC1=O	REAL300028839885	0	49	-2.0	-88.10	385.03	3.02	-85.08
CN1[N-]C(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=CC1=O	REAL300028839901	0	46	-2.0	-87.09	363.46	2.19	-84.90
O=C(CC1=CC(=O)N[N-]1)N1CCC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300028839991	1	46	-2.0	-93.44	364.27	0.78	-92.66
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300028839995	1	46	-2.0	-89.11	364.47	3.41	-85.70
CC1=CN=C(C(=O)N2CCC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C([O-])=C1	REAL300028840064	1	48	-2.0	-99.31	374.23	4.67	-94.64
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CC([O-])=CS2)C1	REAL300028840077	0	43	-2.0	-95.07	348.99	2.16	-92.91
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCCN2C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300028840090	0	46	-2.0	-100.04	370.92	4.04	-96.00
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300028841360	0	41	-2.0	-92.29	363.64	-8.02	-100.31
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COC1=NC(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)=CC(=O)[N-]1	REAL300028843294	0	45	-2.0	-91.95	392.81	-7.95	-99.90
CN1[N-]C(C(=O)NC[C@H]2C[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@H]2O)=CC1=O	REAL300028843450	0	43	-2.0	-90.65	374.82	-4.26	-94.91
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NC1=NC([O-])=C(CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300028845897	0	44	-2.0	-107.02	393.60	-6.97	-113.99
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N#CC1=CC=C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300028845935	1	44	-2.0	-87.90	389.43	-2.14	-90.04
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C[PH](C)([O-])C(=O)C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028846244	0	45	-2.0	-86.79	385.12	-4.75	-91.54
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CC1=CC=NC(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C1O	REAL300028846604	0	45	-2.0	-99.17	384.94	-1.88	-101.05
CC1=CC=NC(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300028846604	1	45	-2.0	-99.17	384.94	-1.88	-101.05
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CC1=CC=C(F)C([O-])=C1C(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028846934	0	46	-2.0	-98.82	397.18	-1.47	-100.29
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CC1=CC(=O)C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300028847060	0	44	-2.0	-90.93	380.81	-2.18	-93.11
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=CC(=O)N2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028847085	0	43	-2.0	-118.72	372.65	-0.95	-119.67
N#CC1=CC=C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028847114	0	43	-2.0	-81.53	382.63	-3.99	-85.52
CN1N=C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300028847162	0	42	-2.0	-93.62	369.36	-5.75	-99.37
O=C(NC[C@H]1C[C@H](NC(=O)C2=C(F)C=CC(O)=C2O)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028847215	0	44	-2.0	-96.86	389.68	-4.47	-101.33
O=C(NC[C@H]1C[C@H](NC(=O)C2=C(F)C=CC(O)=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028847215	1	44	-2.0	-96.86	389.68	-4.47	-101.33
N#CC1=CC=C([O-])C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028847224	0	44	-2.0	-94.82	387.95	-0.55	-95.37
O=C(NC[C@H]1C[C@H](NC(=O)C2=CN([O-])C(=O)NC2=O)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028847312	0	43	-2.0	-87.71	377.70	-4.39	-92.10
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=C(F)C(O)=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028847364	0	43	-2.0	-91.29	375.50	-2.52	-93.81
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=C(F)C([O-])=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028847364	1	43	-2.0	-91.29	375.50	-2.52	-93.81
O=C(NC[C@H]1C[C@H](NC(=O)C(F)(F)C(F)(F)F)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028847374	0	38	-2.0	-84.18	352.15	-3.75	-87.93
O=C([N-][C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)(F)F	REAL300028847374	1	38	-2.0	-84.18	352.15	-3.75	-87.93
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=C(Cl)C=C2O)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028847382	0	43	-2.0	-100.62	383.83	-0.44	-101.06
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=C(Cl)C=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028847382	1	43	-2.0	-100.62	383.83	-0.44	-101.06
O=C(NC[C@H]1C[C@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028847451	0	41	-2.0	-89.60	365.42	-9.16	-98.76
O=C(NC[C@H]1C[C@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028847451	1	41	-2.0	-84.04	366.07	-8.40	-92.44
NC1=NC=C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028847508	1	43	-2.0	-86.52	370.81	-5.22	-91.74
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=C(F)C([O-])=C2F)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028847542	0	43	-2.0	-103.68	379.85	-2.45	-106.13
COC1=NC(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300028847585	0	45	-2.0	-91.74	392.96	-8.00	-99.74
O=C(NC[C@H]1C[C@H](NC(=O)C2=NC=CC(Cl)=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028847595	0	42	-2.0	-95.41	380.82	-2.05	-97.46
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=C(Cl)C([O-])=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028847633	0	43	-2.0	-87.73	385.30	-2.03	-89.76
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=NC=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028847642	1	42	-2.0	-99.13	362.67	-2.68	-101.81
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028847648	0	39	-2.0	-92.19	346.83	-5.49	-97.68
CC1=C([O-])N=C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300028847671	1	42	-2.0	-94.10	379.14	-5.87	-99.97
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=C([O-])C=C1	REAL300028847764	1	45	-2.0	-89.71	389.87	-2.62	-92.33
O=C(NC[C@H]1C[C@H](NC(=O)C2=CN=C(C=N[O-])S2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028847784	0	42	-2.0	-100.16	387.96	-4.43	-104.59
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)C=C(Cl)[N-]2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028847806	1	42	-2.0	-84.45	380.94	-2.22	-86.67
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(=O)NC([O-])=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028847826	0	43	-2.0	-87.50	375.37	-6.85	-94.35
CCN1[N-]C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028847887	0	46	-2.0	-92.33	396.19	-3.46	-95.79
CN1[N-]C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028847906	0	43	-2.0	-89.63	375.38	-4.30	-93.93
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028847916	0	43	-2.0	-92.39	389.31	-6.28	-98.67
O=C(CC1=CC(=O)N[N-]1)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028848046	1	43	-2.0	-96.64	372.94	-5.38	-102.02
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=C([O-])C(F)=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028848051	1	43	-2.0	-91.79	375.46	-2.49	-94.28
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC(F)=C([O-])C(F)=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028848098	0	43	-2.0	-92.64	381.71	-2.43	-95.07
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC=NC(Cl)=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028848103	0	42	-2.0	-97.34	378.85	-2.21	-99.55
CC1=C(CC(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300028848118	0	49	-2.0	-101.66	415.15	-3.04	-104.70
CC1=CN=C(C(=O)N[C@@H]2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300028848154	1	45	-2.0	-100.46	385.60	-1.89	-102.35
O=C(NC[C@H]1C[C@H](NC(=O)C2=CC([O-])=CS2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028848176	0	40	-2.0	-97.09	361.52	-3.65	-100.74
O=C(NC[C@H]1C[C@H](NC(=O)C2=CN([O-])C(=O)C=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300028848192	0	43	-2.0	-105.20	374.93	-2.03	-107.23
O=C(N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=CC(=O)[N-]O1	REAL300028848220	0	43	-2.0	-88.78	377.58	-4.26	-93.04
O=C(NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2)C1=COC(=O)[N-]1	REAL300028848613	1	46	-2.0	-88.52	380.31	-3.33	-91.85
O=C(NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2)C1=CC(=O)N[N-]1	REAL300028848697	0	47	-2.0	-90.82	384.35	-2.33	-93.15
O=C(NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2)C1=NC(=O)N[N-]1	REAL300028848771	0	46	-2.0	-88.88	379.73	-3.63	-92.51
O=C(NCC1CC2(CN1C(=O)C1=COC(=O)[N-]1)CCOCC2)C1=CC(=O)[N-]O1	REAL300028849206	1	46	-2.0	-88.29	379.42	-2.06	-90.35
O=C(NCC1CC2(CN1C(=O)C1=CC(=O)N[N-]1)CCOCC2)C1=CC(=O)[N-]O1	REAL300028849263	0	47	-2.0	-90.89	385.15	-2.02	-92.91
O=C(NCC1CC2(CN1C(=O)C1=NC(=O)N[N-]1)CCOCC2)C1=CC(=O)[N-]O1	REAL300028849276	0	46	-2.0	-89.03	379.06	-2.70	-91.73
O=C(NCC1CC2(CN1C(=O)C1=CC(=O)[N-]O1)CCOCC2)C1=CC(=O)[N-]O1	REAL300028849429	0	46	-2.0	-92.71	379.27	-1.83	-94.54
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2)C1=COC(=O)[N-]1	REAL300028850312	1	45	-2.0	-93.04	361.21	-1.83	-94.87
O=C(CC1=CC(=O)N[N-]1)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL300028850394	1	49	-2.0	-93.17	388.62	-0.05	-93.22
CN1N=C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC23CCC3)[N-]C1=O	REAL300028850404	0	48	-2.0	-93.89	383.79	-0.59	-94.48
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2)C1=C[N-]N=CC1=O	REAL300028850437	0	47	-2.0	-85.71	372.18	1.47	-84.24
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2)C1=CC(=O)N[N-]1	REAL300028850473	0	46	-2.0	-88.78	366.04	-0.84	-89.62
C[PH](C)([O-])C(=O)C(=O)NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2	REAL300028850477	0	51	-2.0	-87.16	404.56	0.49	-86.67
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2)C1=NC(=O)N[N-]1	REAL300028850667	0	45	-2.0	-91.58	361.05	-2.09	-93.67
CN1[N-]C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC23CCC3)=CC1=O	REAL300028850766	0	49	-2.0	-91.03	389.28	0.91	-90.12
O=C(NCC1CN(C(=O)C2=NC=CC=C2[O-])CCC12CCC2)C1=CC(=O)[N-]O1	REAL300028851133	1	48	-2.0	-107.14	381.23	2.68	-104.46
O=C(NCC1CN(C(=O)C2=COC(=O)[N-]2)CCC12CCC2)C1=CC(=O)[N-]O1	REAL300028851693	1	45	-2.0	-86.38	361.15	-0.25	-86.63
O=C(NCC1CN(C(=O)C2=C[N-]N=CC2=O)CCC12CCC2)C1=CC(=O)[N-]O1	REAL300028851775	0	47	-2.0	-85.30	376.61	1.17	-84.13
O=C(NCC1CN(C(=O)C2=CC(=O)N[N-]2)CCC12CCC2)C1=CC(=O)[N-]O1	REAL300028851848	0	46	-2.0	-89.84	367.39	-0.28	-90.12
C[PH](C)([O-])C(=O)C(=O)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028851852	0	51	-2.0	-89.83	400.95	0.58	-89.25
O=C(NCC1CN(C(=O)C2=NC(=O)N[N-]2)CCC12CCC2)C1=CC(=O)[N-]O1	REAL300028851886	0	45	-2.0	-87.38	361.02	-0.96	-88.34
O=C(NCC1CN(C(=O)C2=CN=CC([O-])=C2)CCC12CCC2)C1=CC(=O)[N-]O1	REAL300028852017	1	48	-2.0	-88.73	383.26	0.91	-87.82
CN1N=C(C(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300028852145	0	48	-2.0	-97.34	384.85	-0.10	-97.44
O=C(NCC1CN(C(=O)C2=CC=NC=C2[O-])CCC12CCC2)C1=CC(=O)[N-]O1	REAL300028852304	0	48	-2.0	-105.55	382.91	1.04	-104.51
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCC2)C1=CC(=O)[N-]O1	REAL300028852307	0	45	-2.0	-93.03	360.78	-0.34	-93.37
CN1[N-]C(C(=O)N2CCC3(CCC3)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028852402	0	49	-2.0	-92.96	390.49	1.46	-91.50
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CCC2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028852456	1	49	-2.0	-103.25	389.71	0.06	-103.19
O=C(NCC1CN(C(=O)C2=CC([O-])=CS2)CCC12CCC2)C1=CC(=O)[N-]O1	REAL300028852504	0	46	-2.0	-100.21	378.04	1.62	-98.59
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300028853343	0	42	-2.0	-108.20	358.44	-5.66	-113.86
O=C(CN1C(=O)[N-]NC1=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028853396	0	44	-2.0	-114.79	368.53	-4.00	-118.79
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300028853797	0	44	-2.0	-118.02	366.08	0.54	-117.48
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300028853879	0	44	-2.0	-98.74	369.98	-4.42	-103.16
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300028853890	1	40	-2.0	-97.97	342.03	-4.59	-102.56
O=C([N-]CC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300028853954	1	39	-2.0	-104.40	344.14	-1.24	-105.64
CCN1[N-]C(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028854011	0	47	-2.0	-108.76	387.95	-0.91	-109.67
O=C(CC1=CC(=O)N[N-]1)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854018	1	44	-2.0	-113.01	364.04	-2.91	-115.92
CN1N=C(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300028854041	0	43	-2.0	-109.15	363.98	-3.38	-112.53
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300028854100	0	42	-2.0	-94.03	351.71	-1.25	-95.28
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300028854170	0	41	-2.0	-102.39	343.42	-3.54	-105.93
C[PH](C)([O-])C(=O)C(=O)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854175	0	46	-2.0	-103.25	386.28	-2.05	-105.30
O=C(CCC1=NC(=O)NN1)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854196	0	46	-2.0	-108.85	378.77	-3.92	-112.77
O=C(CCC1=NC(=O)[N-]N1)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854196	1	46	-2.0	-108.85	378.77	-3.92	-112.77
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300028854199	0	44	-2.0	-107.65	367.06	0.64	-107.01
CC1SC(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300028854220	0	43	-2.0	-102.61	373.40	-3.46	-106.07
CC1=C([O-])N=C(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)S1	REAL300028854220	1	43	-2.0	-102.61	373.40	-3.46	-106.07
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300028854237	0	44	-2.0	-117.51	366.45	0.53	-116.98
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300028854262	0	44	-2.0	-105.89	366.59	0.74	-105.15
O=C(CC1=NC([O-])=CS1)NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300028854377	0	43	-2.0	-117.95	369.37	-3.68	-121.63
CC1=CC(=O)C(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300028854535	0	45	-2.0	-110.48	375.60	0.20	-110.28
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300028854545	0	40	-2.0	-103.47	337.05	-4.88	-108.35
CN1[N-]C(C(=O)NCC2CC3COCC3N2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028854731	0	44	-2.0	-105.25	369.67	-1.88	-107.13
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300028854828	0	42	-2.0	-99.80	356.55	-6.60	-106.40
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300028854828	1	42	-2.0	-98.14	356.63	-5.90	-104.04
O=C(NCC1CC2COCC2N1C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300028855180	1	43	-2.0	-122.81	354.86	1.68	-121.13
O=C(NCC1CC2COCC2N1C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028855279	0	42	-2.0	-111.20	353.42	-4.32	-115.52
O=C(CN1C(=O)[N-]NC1=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028855374	0	44	-2.0	-108.48	369.07	-3.24	-111.72
N#CC1=CC([O-])=CC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)=C1	REAL300028856231	1	45	-2.0	-96.06	375.22	0.84	-95.22
O=C(NCC1CC2COCC2N1C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300028856299	1	40	-2.0	-100.37	338.13	-2.61	-102.98
O=C(NCC1CC2COCC2N1C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300028856369	1	44	-2.0	-105.71	356.96	0.88	-104.83
O=C(NCC1CC2COCC2N1C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300028856373	0	43	-2.0	-102.84	361.52	0.40	-102.44
N#CC1=CC=C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C=C1[O-]	REAL300028856376	1	45	-2.0	-114.36	374.06	0.85	-113.51
CC1=CC=C([O-])C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)=N1	REAL300028856429	1	46	-2.0	-104.09	375.70	1.54	-102.55
O=C(NCC1CC2COCC2N1C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300028856440	0	42	-2.0	-83.38	347.50	-1.97	-85.35
O=C(NCC1CC2COCC2N1C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300028856447	0	44	-2.0	-125.80	364.60	1.41	-124.39
O=C(NCC1CC2COCC2N1C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300028856512	1	44	-2.0	-120.75	364.88	0.22	-120.53
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300028856584	0	41	-2.0	-96.67	343.01	-3.03	-99.70
C[PH](C)([O-])C(=O)C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856589	0	46	-2.0	-91.51	385.93	-1.82	-93.33
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300028856643	0	44	-2.0	-119.81	359.87	1.01	-118.80
O=C(NCC1CC2COCC2N1C(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300028856660	0	40	-2.0	-100.09	337.55	-3.57	-103.66
O=C(NCC1CC2COCC2N1C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300028856665	0	44	-2.0	-106.48	362.88	0.93	-105.55
O=C(NCC1CC2COCC2N1C(=O)C1=CC(F)=CC=C1O)C1=CC(=O)[N-]O1	REAL300028856778	0	44	-2.0	-114.75	364.88	1.40	-113.35
O=C(NCC1CC2COCC2N1C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300028856778	1	44	-2.0	-114.75	364.88	1.40	-113.35
CC1=CC=NC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)=C1O	REAL300028856821	0	46	-2.0	-103.55	375.52	1.49	-102.06
CC1=CC=NC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)=C1[O-]	REAL300028856821	1	46	-2.0	-103.55	375.52	1.49	-102.06
O=C(NCC1CC2COCC2N1C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300028856881	1	43	-2.0	-112.84	349.51	-1.45	-114.29
O=C(CC1=NC([O-])=CS1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028856977	0	43	-2.0	-119.22	370.36	-2.78	-122.00
O=C(NCC1CC2COCC2N1C(=O)C1=C([O-])C=CC=C1F)C1=CC(=O)[N-]O1	REAL300028856988	0	44	-2.0	-100.82	369.40	0.63	-100.19
O=C(NCC1CC2COCC2N1C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300028856989	0	44	-2.0	-120.65	356.69	2.26	-118.39
CC1=CC(=O)C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)=N[N-]1	REAL300028857086	0	45	-2.0	-99.39	371.52	0.69	-98.70
O=C(NCC1CC2COCC2N1C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300028857101	0	44	-2.0	-99.87	354.20	-0.19	-100.06
N#CC1=CC=C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C(=O)[N-]1	REAL300028857120	0	44	-2.0	-97.34	373.04	-1.10	-98.44
CN1N=C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)[N-]C1=O	REAL300028857148	0	43	-2.0	-101.44	364.75	-2.96	-104.40
N#CC1=CC=C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C([O-])=C1	REAL300028857181	0	45	-2.0	-117.45	371.07	2.57	-114.88
N#CC1=CC=C([O-])C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)=C1	REAL300028857187	0	45	-2.0	-110.45	379.35	1.76	-108.69
O=C(NCC1CC2COCC2N1C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300028857279	1	44	-2.0	-119.96	360.14	0.47	-119.49
O=C(NCC1CC2COCC2N1C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300028857331	0	42	-2.0	-95.50	356.69	-4.43	-99.93
O=C(NCC1CC2COCC2N1C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300028857331	1	42	-2.0	-95.50	356.69	-4.43	-99.93
NC1=NC=C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C(=O)N1	REAL300028857367	0	44	-2.0	-103.72	361.11	-2.27	-105.99
NC1=NC=C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C(=O)[N-]1	REAL300028857367	1	44	-2.0	-103.72	361.11	-2.27	-105.99
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300028857458	0	40	-2.0	-103.96	338.16	-3.04	-107.00
CC1SC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)=NC1=O	REAL300028857475	0	43	-2.0	-108.22	369.76	-2.00	-110.22
CC1=C([O-])N=C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)S1	REAL300028857475	1	43	-2.0	-108.22	369.76	-2.00	-110.22
O=C(NCC1CC2COCC2N1C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300028857577	0	44	-2.0	-100.57	357.91	-3.69	-104.26
CCN1[N-]C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)=CC1=O	REAL300028857619	0	47	-2.0	-110.50	383.17	0.34	-110.16
CN1[N-]C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)=CC1=O	REAL300028857635	0	44	-2.0	-98.42	365.41	-1.34	-99.76
O=C(CC1=CC(=O)NN1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857721	0	44	-2.0	-108.69	364.44	-2.15	-110.84
O=C(CC1=CC(=O)N[N-]1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2COCC21	REAL300028857721	1	44	-2.0	-108.69	364.44	-2.15	-110.84
O=C(NCC1CC2COCC2N1C(=O)C1=CC=C(O)C(F)=C1)C1=CC(=O)[N-]O1	REAL300028857725	0	44	-2.0	-107.76	360.09	0.51	-107.25
O=C(NCC1CC2COCC2N1C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300028857725	1	44	-2.0	-107.76	360.09	0.51	-107.25
CC1=CN=C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C(O)=C1	REAL300028857788	0	46	-2.0	-124.85	376.34	2.31	-122.54
CC1=CN=C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3COCC32)C([O-])=C1	REAL300028857788	1	46	-2.0	-124.85	376.34	2.31	-122.54
O=C(NCC1CC2COCC2N1C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300028857801	0	41	-2.0	-109.12	348.29	-1.46	-110.58
O=C(NCC1CC2COCC2N1C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300028857813	0	44	-2.0	-122.40	359.36	1.01	-121.39
CC(C)(C)C[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028858912	1	47	-2.0	-95.78	385.08	-0.55	-96.33
CC(C)(C)C[C@@H]1CN(C(=O)CC2=CC(=O)N[N-]2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028858991	1	51	-2.0	-93.19	411.94	0.10	-93.09
CN1N=C(C(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300028859000	0	50	-2.0	-95.78	405.03	-0.06	-95.84
CC(C)(C)C[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028859032	0	49	-2.0	-89.35	403.67	1.37	-87.98
CC(C)(C)C[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028859066	0	48	-2.0	-90.16	389.92	-0.32	-90.48
CC(C)(C)C[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028859244	0	47	-2.0	-94.57	382.28	-0.95	-95.52
CN1[N-]C(C(=O)N2C[C@@H](CC(C)(C)C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028859332	0	51	-2.0	-91.74	410.69	1.38	-90.36
CC(C)(C)C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=NC=CC=C1[O-]	REAL300028859688	1	50	-2.0	-111.57	399.80	2.83	-108.74
CC(C)(C)C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=COC(=O)[N-]1	REAL300028860184	1	47	-2.0	-90.13	382.91	-1.58	-91.71
CC(C)(C)C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300028860258	0	49	-2.0	-85.34	394.49	1.55	-83.79
CC(C)(C)C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300028860319	0	48	-2.0	-92.01	388.24	-0.67	-92.68
CC(C)(C)C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300028860353	0	47	-2.0	-91.26	382.33	-1.89	-93.15
CC(C)(C)C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CN=CC([O-])=C1	REAL300028860463	1	50	-2.0	-101.85	399.75	1.14	-100.71
CN1N=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)[N-]C1=O	REAL300028860574	0	50	-2.0	-99.95	405.42	-0.32	-100.27
CC(C)(C)C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC=NC=C1[O-]	REAL300028860707	1	50	-2.0	-107.57	397.62	2.77	-104.80
CC(C)(C)C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300028860710	0	47	-2.0	-95.49	383.05	-0.18	-95.67
CN1[N-]C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC(C)(C)C)=CC1=O	REAL300028860799	0	51	-2.0	-94.88	410.98	1.04	-93.84
CC(C)(C)C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1=CC(=O)N[N-]1	REAL300028860847	1	51	-2.0	-109.24	408.41	0.04	-109.20
CC(C)(C)C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC([O-])=CS1	REAL300028860891	0	48	-2.0	-100.98	399.50	1.84	-99.14
O=C(N[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028861354	1	48	-2.0	-102.86	415.18	1.56	-101.30
O=C(N[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028862321	0	41	-2.0	-94.26	360.71	-3.01	-97.27
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028862423	0	43	-2.0	-92.08	378.66	-1.62	-93.70
O=C(N[C@@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863130	0	43	-2.0	-102.46	371.36	2.54	-99.92
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863261	0	43	-2.0	-89.22	372.17	-2.37	-91.59
O=C(N[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863272	1	39	-2.0	-96.07	343.78	-0.93	-97.00
CCN1[N-]C(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028863465	0	46	-2.0	-94.27	393.72	1.73	-92.54
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863473	1	43	-2.0	-93.41	372.42	-0.33	-93.74
O=C(N[C@@H]1CN(C(=O)C2=CC=CC(=S)N2[O-])C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863493	0	43	-2.0	-126.25	390.28	3.25	-123.00
O=C(CC1SC(=O)[N-]C1=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863504	0	43	-2.0	-87.96	386.12	-2.01	-89.97
CN1N=C(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300028863521	0	42	-2.0	-95.32	367.48	-0.65	-95.97
O=C(N[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863618	0	41	-2.0	-89.43	362.25	0.99	-88.44
O=C(N[C@@H]1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863654	0	45	-2.0	-103.41	387.53	1.02	-102.39
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863739	0	40	-2.0	-94.94	348.17	-0.92	-95.86
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863744	0	45	-2.0	-89.09	388.07	0.23	-88.86
O=C(CCC1=NC(=O)NN1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863776	0	45	-2.0	-104.01	388.30	-1.41	-105.42
O=C(CCC1=NC(=O)[N-]N1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028863776	1	45	-2.0	-104.01	388.30	-1.41	-105.42
O=C(N[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863781	0	43	-2.0	-110.22	372.00	2.64	-107.58
CC1SC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300028863816	0	42	-2.0	-103.88	374.74	-0.01	-103.89
CC1=C([O-])N=C(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300028863816	1	42	-2.0	-103.88	374.74	-0.01	-103.89
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)C=C(Cl)N2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863830	0	42	-2.0	-84.78	379.24	2.57	-82.21
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863830	1	42	-2.0	-84.78	379.24	2.57	-82.21
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863850	0	43	-2.0	-106.09	379.26	3.14	-102.95
O=C(N[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028863893	0	43	-2.0	-121.62	379.17	2.61	-119.01
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864031	0	42	-2.0	-90.53	382.51	-1.23	-91.76
NC1=NC([O-])=C(CC(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300028864032	0	44	-2.0	-105.27	393.18	-2.07	-107.34
O=C(CC1=NC([O-])=CS1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864084	0	42	-2.0	-102.44	378.37	-1.21	-103.65
CCC1=NC=C(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028864105	1	47	-2.0	-97.38	403.36	1.32	-96.06
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864116	0	44	-2.0	-94.70	387.87	-2.67	-97.37
O=C(N[C@@H]1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028864181	0	39	-2.0	-91.50	364.27	-0.09	-91.59
CC1=CC(=O)C(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300028864356	0	44	-2.0	-94.36	377.09	2.88	-91.48
O=C(N[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028864372	0	39	-2.0	-96.28	343.97	-1.67	-97.95
O=C(N[C@@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028864506	0	42	-2.0	-103.38	383.15	0.13	-103.25
COC1=NC(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300028864522	0	45	-2.0	-90.76	386.07	-2.45	-93.21
CN1[N-]C(C(=O)N2C[C@@H](C3CC3)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028864701	0	43	-2.0	-93.89	371.91	0.82	-93.07
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028864709	0	43	-2.0	-96.35	389.21	-1.25	-97.60
O=C(N[C@@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028864884	0	41	-2.0	-100.29	362.20	-3.36	-103.65
O=C(N[C@@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028864884	1	41	-2.0	-89.48	363.42	-2.67	-92.15
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@@H](C2CC2)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028865053	0	45	-2.0	-93.35	393.64	-0.57	-93.92
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=NC=CC=C1[O-]	REAL300028865307	1	42	-2.0	-107.59	361.01	2.48	-105.11
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=NNC(=O)[N-]C1=O	REAL300028865442	0	41	-2.0	-101.30	360.69	-3.36	-104.66
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028865635	0	43	-2.0	-102.71	373.93	-1.67	-104.38
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CN=C(C2CC2)[N-]C1=O	REAL300028866599	1	48	-2.0	-92.11	404.75	2.08	-90.03
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC(Cl)=CC=C1[O-]	REAL300028867287	1	43	-2.0	-109.76	380.69	4.37	-105.39
N#CC1=CC([O-])=CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)=C1	REAL300028867314	1	44	-2.0	-88.81	386.79	2.94	-85.87
CCC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C(=O)[N-]1	REAL300028867413	1	47	-2.0	-90.48	393.91	1.43	-89.05
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=COC(=O)[N-]1	REAL300028867433	1	39	-2.0	-99.24	343.60	-2.25	-101.49
O=C(C[N-]C(=O)C(F)(F)F)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867510	0	42	-2.0	-92.57	380.49	-1.23	-93.80
NC1=NC([O-])=C(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)S1	REAL300028867511	0	44	-2.0	-120.01	390.29	-1.91	-121.92
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=C(F)C=C([O-])C=C1F	REAL300028867521	0	43	-2.0	-93.14	382.68	2.26	-90.88
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=C([O-])C=C1F	REAL300028867537	1	43	-2.0	-99.57	370.64	2.34	-97.23
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC([O-])=CC(=O)O1	REAL300028867543	0	42	-2.0	-91.36	369.15	1.67	-89.69
N#CC1=CC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C=C1[O-]	REAL300028867552	1	44	-2.0	-102.29	385.59	2.70	-99.59
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC(Cl)=NC=C1[O-]	REAL300028867556	0	42	-2.0	-103.82	375.63	2.50	-101.32
N#CC1=CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)=C(N)[N-]C1=O	REAL300028867562	0	45	-2.0	-90.84	389.53	-0.36	-91.20
O=C(CN1N=CC(=O)[N-]C1=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867579	0	44	-2.0	-112.90	384.43	-2.78	-115.68
O=C(CCC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867652	0	45	-2.0	-95.99	384.97	-0.76	-96.75
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=C[N-]N=CC1=O	REAL300028867671	0	41	-2.0	-84.01	352.86	0.91	-83.10
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=CC(F)=C1[O-]	REAL300028867682	0	43	-2.0	-112.40	370.04	4.26	-108.14
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=CC([O-])=C1F	REAL300028867786	1	43	-2.0	-108.53	370.36	2.65	-105.88
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC(=O)N[N-]1	REAL300028867911	0	40	-2.0	-92.89	348.64	-1.25	-94.14
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028867917	0	45	-2.0	-95.06	386.55	0.06	-95.00
CN1[N-]C(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)=CC1=O	REAL300028867922	0	46	-2.0	-108.34	391.68	1.10	-107.24
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC(F)=CC(F)=C1[O-]	REAL300028867997	0	43	-2.0	-109.74	376.59	3.97	-105.77
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC(=O)N([O-])C=C1	REAL300028868025	0	43	-2.0	-111.14	371.47	2.79	-108.35
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=NC(=O)N[N-]1	REAL300028868054	0	39	-2.0	-91.88	343.56	-2.26	-94.14
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=C([O-])C=CC=C1Cl	REAL300028868058	1	43	-2.0	-97.99	384.47	2.83	-95.16
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=CN([O-])C1=O	REAL300028868063	0	43	-2.0	-100.04	369.00	3.15	-96.89
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=C(F)C=CC([O-])=C1F	REAL300028868093	1	43	-2.0	-97.39	382.11	2.24	-95.15
NC1=CC(=O)[N-]C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)=N1	REAL300028868191	0	43	-2.0	-103.36	373.61	-1.78	-105.14
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=C([O-])C(Cl)=C1	REAL300028868250	0	43	-2.0	-97.56	381.43	2.83	-94.73
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC(F)=CC=C1[O-]	REAL300028868255	1	43	-2.0	-108.84	370.38	3.91	-104.93
CC1=CC=NC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)=C1[O-]	REAL300028868322	1	45	-2.0	-107.68	381.33	3.16	-104.52
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CN=CC([O-])=C1	REAL300028868453	1	42	-2.0	-98.65	362.28	0.62	-98.03
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=CC(=S)N1[O-]	REAL300028868463	0	43	-2.0	-129.16	380.19	5.17	-123.99
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=C([O-])C(Cl)=N1	REAL300028868591	0	42	-2.0	-88.26	379.50	1.02	-87.24
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=C([O-])C=C1Cl	REAL300028868637	1	43	-2.0	-97.31	378.61	2.78	-94.53
N#CC1=CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)=C([O-])C=C1N	REAL300028868639	0	46	-2.0	-106.77	397.18	2.17	-104.60
O=C(CC1=NC([O-])=CS1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868649	0	42	-2.0	-123.14	375.67	-1.37	-124.51
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=C([O-])C=CC=C1F	REAL300028868664	1	43	-2.0	-107.92	374.98	2.46	-105.46
O=C(CN1[N-]C(=O)C=CC1=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868666	0	45	-2.0	-103.58	390.21	-0.68	-104.26
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=C(F)C=C1[O-]	REAL300028868668	0	43	-2.0	-113.35	370.36	3.93	-109.42
CC1=CC=C(F)C([O-])=C1C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868708	0	46	-2.0	-121.36	392.41	2.71	-118.65
O=C(CC1SC(=O)[N-]C1=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868783	0	43	-2.0	-96.25	383.21	-2.07	-98.32
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=C([O-])C(F)=C1F	REAL300028868809	0	43	-2.0	-101.40	376.24	2.44	-98.96
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=CC(Cl)=C1[O-]	REAL300028868816	0	43	-2.0	-107.06	379.85	4.72	-102.34
CC1=CC(=O)C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)=N[N-]1	REAL300028868847	0	44	-2.0	-99.23	377.37	2.53	-96.70
O=C(C=C([O-])C1=CC=C(O)C=C1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028868851	0	48	-2.0	-115.77	407.15	2.40	-113.37
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=CC(=O)N1[O-]	REAL300028868875	0	43	-2.0	-125.93	369.07	4.13	-121.80
N#CC1=CC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C(=O)[N-]1	REAL300028868908	0	43	-2.0	-84.62	378.76	0.94	-83.68
CN1N=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)[N-]C1=O	REAL300028868963	0	42	-2.0	-98.75	366.26	-0.73	-99.48
[N-]=[N+]=NC1=CC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)=CC=C1[O-]	REAL300028868989	0	45	-2.0	-96.63	393.16	0.12	-96.51
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=C(F)C=CC(O)=C1O	REAL300028869025	0	44	-2.0	-107.73	386.11	0.31	-107.42
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=C(F)C=CC(O)=C1[O-]	REAL300028869025	1	44	-2.0	-107.73	386.11	0.31	-107.42
N#CC1=CC=C([O-])C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)=C1	REAL300028869035	0	44	-2.0	-105.59	384.79	4.28	-101.31
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CN([O-])C(=O)NC1=O	REAL300028869137	0	43	-2.0	-93.25	374.56	0.43	-92.82
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=C(F)C(O)=C1	REAL300028869196	0	43	-2.0	-107.13	371.67	2.30	-104.83
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=C(F)C([O-])=C1	REAL300028869196	1	43	-2.0	-107.13	371.67	2.30	-104.83
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=C(Cl)C=C1O	REAL300028869216	0	43	-2.0	-113.01	380.68	4.37	-108.64
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=C(Cl)C=C1[O-]	REAL300028869216	1	43	-2.0	-113.01	380.68	4.37	-108.64
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=NC(=O)[N-]C(=O)N1	REAL300028869294	0	41	-2.0	-91.71	361.37	-4.06	-95.77
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=NC(=O)NC(=O)[N-]1	REAL300028869294	1	41	-2.0	-88.81	362.74	-3.25	-92.06
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=C2N=NN([O-])C2=C1	REAL300028869315	0	45	-2.0	-106.77	389.46	1.48	-105.29
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=C(Cl)C(=O)[N-]S1	REAL300028869346	0	39	-2.0	-93.20	365.81	0.28	-92.92
NC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C(=O)[N-]1	REAL300028869364	1	43	-2.0	-91.01	367.22	-0.22	-91.23
CC1=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)[N-]C(=O)C(C#N)=C1	REAL300028869390	0	46	-2.0	-85.85	398.44	1.43	-84.42
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=C(F)C([O-])=C1F	REAL300028869407	0	43	-2.0	-113.19	376.20	2.42	-110.77
COC1=NC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)=CC(=O)[N-]1	REAL300028869458	0	45	-2.0	-96.75	389.68	-2.96	-99.71
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=C2N[N-]N=C2C1=O	REAL300028869459	0	45	-2.0	-109.55	383.97	2.24	-107.31
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=NC=CC(Cl)=C1[O-]	REAL300028869469	0	42	-2.0	-103.57	377.20	3.00	-100.57
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=C(Cl)C([O-])=C1	REAL300028869509	0	43	-2.0	-103.40	381.47	2.81	-100.59
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=NC=C1[O-]	REAL300028869519	1	42	-2.0	-112.44	359.33	2.04	-110.40
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028869525	0	39	-2.0	-95.74	343.38	-0.77	-96.51
CC1=C([O-])N=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)S1	REAL300028869551	1	42	-2.0	-97.23	375.54	-0.83	-98.06
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C(=O)C1=CC=C([O-])C=C1	REAL300028869650	1	45	-2.0	-94.64	387.37	2.06	-92.58
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CN=C(C=N[O-])S1	REAL300028869676	0	42	-2.0	-104.89	384.39	0.35	-104.54
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC(=O)C=C(Cl)[N-]1	REAL300028869701	1	42	-2.0	-89.30	379.11	2.34	-86.96
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC(=O)NC([O-])=C1	REAL300028869726	0	43	-2.0	-90.75	372.05	-1.79	-92.54
CCN1[N-]C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)=CC1=O	REAL300028869790	0	46	-2.0	-96.89	393.20	1.40	-95.49
CN1[N-]C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)=CC1=O	REAL300028869812	0	43	-2.0	-97.04	371.87	0.42	-96.62
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869824	0	43	-2.0	-96.50	386.44	-1.37	-97.87
O=C(CC1=CC(=O)N[N-]1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1	REAL300028869972	1	43	-2.0	-105.41	368.92	-0.63	-106.04
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=C([O-])C(F)=C1	REAL300028869977	1	43	-2.0	-101.21	371.63	2.34	-98.87
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC(F)=C([O-])C(F)=C1	REAL300028870031	0	43	-2.0	-97.53	378.03	2.43	-95.10
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC=NC(Cl)=C1[O-]	REAL300028870037	0	42	-2.0	-109.50	374.94	2.53	-106.97
CC1=C(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C(=O)N(C)[N-]1	REAL300028870052	0	49	-2.0	-106.64	412.17	1.78	-104.86
CC1=CN=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C2CC2)C([O-])=C1	REAL300028870090	1	45	-2.0	-112.26	382.51	2.84	-109.42
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CC([O-])=CS1	REAL300028870115	0	40	-2.0	-104.59	358.24	1.23	-103.36
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C1CC1)C1=CN([O-])C(=O)C=C1	REAL300028870131	0	43	-2.0	-113.36	371.78	2.79	-110.57
O=C(N[C@@H]1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C[C@H]1C1CC1)C1=CC(=O)[N-]O1	REAL300028870166	0	43	-2.0	-91.96	376.37	0.12	-91.84
O=C(NC1CC2(C1)CCCCN2C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028871086	0	44	-2.0	-104.22	364.27	-3.22	-107.44
O=C(CN1C(=O)[N-]NC1=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028871147	0	46	-2.0	-106.33	380.87	-1.58	-107.91
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300028871575	0	46	-2.0	-106.02	376.65	2.57	-103.45
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300028871663	0	46	-2.0	-93.59	377.12	-2.33	-95.92
O=C(NC1CC2(C1)CCCCN2C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300028871674	1	42	-2.0	-91.51	347.11	-0.79	-92.30
CCN1[N-]C(C(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300028871798	0	49	-2.0	-101.05	396.52	1.74	-99.31
O=C(CC1=CC(=O)N[N-]1)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028871805	1	46	-2.0	-130.96	361.00	1.07	-129.89
CN1N=C(C(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300028871832	0	45	-2.0	-105.40	369.51	-0.73	-106.13
O=C(NC1CC2(C1)CCCCN2C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300028871895	0	44	-2.0	-90.33	359.52	0.56	-89.77
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300028871966	0	43	-2.0	-96.94	351.97	-0.89	-97.83
C[PH](C)([O-])C(=O)C(=O)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028871971	0	48	-2.0	-112.30	383.41	1.34	-110.96
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300028871996	0	46	-2.0	-118.89	367.38	3.91	-114.98
CC1SC(C(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300028872017	0	45	-2.0	-105.69	371.36	1.29	-104.40
CC1=C([O-])N=C(C(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300028872017	1	45	-2.0	-105.69	371.36	1.29	-104.40
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300028872035	0	46	-2.0	-121.64	370.90	4.00	-117.64
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300028872060	0	46	-2.0	-110.87	375.25	2.86	-108.01
O=C(CC1=NC([O-])=CS1)N1CCCCC12CC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300028872179	0	45	-2.0	-123.97	381.71	-1.19	-125.16
CC1=CC(=O)C(C(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300028872349	0	47	-2.0	-113.22	375.02	3.78	-109.44
O=C(NC1CC2(C1)CCCCN2C(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300028872360	0	42	-2.0	-93.91	346.76	-1.50	-95.41
CN1[N-]C(C(=O)N2CCCCC23CC(NC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300028872561	0	46	-2.0	-99.97	374.71	0.80	-99.17
O=C(NC1CC2(C1)CCCCN2C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300028872667	0	44	-2.0	-94.21	365.58	-3.32	-97.53
O=C(NC1CC2(C1)CCCCN2C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300028872667	1	44	-2.0	-92.05	366.15	-2.56	-94.61
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=NC=CC=C1[O-]	REAL300028873022	1	45	-2.0	-120.14	364.25	2.04	-118.10
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300028873125	0	44	-2.0	-102.34	363.80	-3.44	-105.78
O=C(CN1C(=O)[N-]NC1=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028873233	0	46	-2.0	-111.31	377.90	-1.79	-113.10
N#CC1=CC([O-])=CC(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300028874169	1	47	-2.0	-117.17	383.10	3.60	-113.57
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300028874239	1	42	-2.0	-92.63	347.42	-2.35	-94.98
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=C([O-])C=C1F	REAL300028874312	1	46	-2.0	-103.91	373.70	2.24	-101.67
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=CC([O-])=CC(=O)O1	REAL300028874317	0	45	-2.0	-116.80	366.14	2.48	-114.32
N#CC1=CC=C(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300028874320	1	47	-2.0	-122.12	380.70	3.68	-118.44
O=C(CCC1=NC(=O)[N-]N1)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874380	1	48	-2.0	-104.52	388.15	-1.71	-106.23
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300028874391	0	44	-2.0	-108.33	345.83	1.82	-106.51
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(F)=C1[O-]	REAL300028874398	0	46	-2.0	-127.74	373.25	3.81	-123.93
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC([O-])=C1F	REAL300028874470	1	46	-2.0	-120.31	373.57	2.21	-118.10
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300028874545	0	43	-2.0	-95.65	352.25	-1.37	-97.02
C[PH](C)([O-])C(=O)C(=O)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874551	0	48	-2.0	-112.73	378.53	1.13	-111.60
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300028874610	0	46	-2.0	-117.06	366.32	3.77	-113.29
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300028874627	0	42	-2.0	-96.08	346.79	-2.67	-98.75
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300028874632	0	46	-2.0	-103.86	372.49	2.85	-101.01
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=CC(F)=CC=C1O	REAL300028874752	0	46	-2.0	-116.28	373.43	3.81	-112.47
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=CC(F)=CC=C1[O-]	REAL300028874752	1	46	-2.0	-116.28	373.43	3.81	-112.47
CC1=CC=NC(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)=C1O	REAL300028874799	0	48	-2.0	-115.43	384.62	2.75	-112.68
CC1=CC=NC(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300028874799	1	48	-2.0	-115.43	384.62	2.75	-112.68
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=CN=CC([O-])=C1	REAL300028874867	1	45	-2.0	-107.20	364.25	0.34	-106.86
O=C(CC1=NC([O-])=CS1)NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1	REAL300028874969	0	45	-2.0	-124.70	378.72	-1.48	-126.18
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=C([O-])C=CC=C1F	REAL300028874982	1	46	-2.0	-121.01	371.63	3.11	-117.90
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=C(F)C=C1[O-]	REAL300028874983	0	46	-2.0	-120.77	373.42	3.83	-116.94
CC1=CC(=O)C(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300028875092	0	47	-2.0	-103.38	380.96	2.42	-100.96
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300028875110	0	46	-2.0	-135.70	372.33	3.69	-132.01
N#CC1=CC=C(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028875130	0	46	-2.0	-89.59	381.69	0.72	-88.87
CN1N=C(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300028875160	0	45	-2.0	-106.29	369.05	-1.07	-107.36
N#CC1=CC=C(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300028875195	0	47	-2.0	-118.01	387.80	4.17	-113.84
N#CC1=CC=C([O-])C(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300028875201	0	47	-2.0	-112.75	387.85	4.18	-108.57
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=C(F)C([O-])=C1	REAL300028875299	1	46	-2.0	-128.00	366.72	3.31	-124.69
O=C([N-]C1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300028875307	1	41	-2.0	-97.41	353.97	0.95	-96.46
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300028875357	0	44	-2.0	-93.81	365.97	-3.68	-97.49
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NC1=NC=C(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300028875397	0	46	-2.0	-96.62	370.69	-0.50	-97.12
NC1=NC=C(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028875397	1	46	-2.0	-96.62	370.69	-0.50	-97.12
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CC1SC(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300028875511	0	45	-2.0	-99.02	378.27	-1.15	-100.17
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CCN1[N-]C(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028875673	0	49	-2.0	-99.88	396.79	1.27	-98.61
CN1[N-]C(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028875689	0	46	-2.0	-98.81	375.06	0.34	-98.47
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CC1=CN=C(C(=O)NC2CC3(C2)CCCCN3C(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300028875852	1	48	-2.0	-121.38	385.23	2.78	-118.60
O=C(NC1CC2(C1)CCCCN2C(=O)C1=CC(=O)[N-]O1)C1=CC([O-])=CS1	REAL300028875865	0	43	-2.0	-109.23	361.42	1.09	-108.14
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O=C(NC1(C2CCN(C(=O)C3=NNC(=O)[N-]C3=O)CC2)CC1)C1=CC(=O)[N-]O1	REAL300028876797	0	44	-2.0	-94.09	359.24	-2.60	-96.69
O=C(CN1C(=O)[N-]NC1=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028876858	0	46	-2.0	-101.34	380.80	-0.97	-102.31
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O=C(NC1(C2CCN(C(=O)C3=CC(=O)NC([O-])=C3)CC2)CC1)C1=CC(=O)[N-]O1	REAL300028877374	0	46	-2.0	-92.05	377.34	-1.72	-93.77
O=C(NC1(C2CCN(C(=O)C3=COC(=O)[N-]3)CC2)CC1)C1=CC(=O)[N-]O1	REAL300028877385	1	42	-2.0	-84.55	342.28	-0.34	-84.89
CCN1[N-]C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CC1=O	REAL300028877509	0	49	-2.0	-94.62	396.37	2.34	-92.28
O=C(CC1=CC(=O)N[N-]1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028877516	1	46	-2.0	-102.45	375.80	0.11	-102.34
CN1N=C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)[N-]C1=O	REAL300028877543	0	45	-2.0	-98.29	369.26	-0.13	-98.42
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C[PH](C)([O-])C(=O)C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028877682	0	48	-2.0	-87.77	386.60	0.50	-87.27
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CC1SC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)=NC1=O	REAL300028877728	0	45	-2.0	-90.86	374.03	0.34	-90.52
CC1=C([O-])N=C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)S1	REAL300028877728	1	45	-2.0	-90.86	374.03	0.34	-90.52
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CC1=CC(=O)C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N[N-]1	REAL300028878060	0	47	-2.0	-91.90	376.39	3.28	-88.62
O=C(NC1(C2CCN(C(=O)C3=NC(=O)N[N-]3)CC2)CC1)C1=CC(=O)[N-]O1	REAL300028878071	0	42	-2.0	-89.53	342.25	-1.05	-90.58
CN1[N-]C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CC1=O	REAL300028878272	0	46	-2.0	-93.84	374.64	1.41	-92.43
O=C(NC1(C2CCN(C(=O)C3=NC(=O)[N-]C(=O)N3)CC2)CC1)C1=CC(=O)[N-]O1	REAL300028878378	0	44	-2.0	-88.62	366.20	-2.01	-90.63
O=C(NC1(C2CCN(C(=O)C3=NC(=O)NC(=O)[N-]3)CC2)CC1)C1=CC(=O)[N-]O1	REAL300028878378	1	44	-2.0	-88.62	366.20	-2.01	-90.63
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=NC=CC=C1O	REAL300028878733	0	45	-2.0	-102.10	364.31	2.57	-99.53
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=NC=CC=C1[O-]	REAL300028878733	1	45	-2.0	-102.10	364.31	2.57	-99.53
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=NNC(=O)[N-]C1=O	REAL300028878836	0	44	-2.0	-93.94	359.24	-3.07	-97.01
O=C(CN1C(=O)[N-]NC1=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028878944	0	46	-2.0	-95.36	377.94	-1.09	-96.45
N#CC1=CC([O-])=CC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300028879880	1	47	-2.0	-89.59	385.53	3.06	-86.53
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=COC(=O)[N-]1	REAL300028879950	1	42	-2.0	-92.24	342.85	-1.83	-94.07
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CC=C([O-])C=C1F	REAL300028880023	1	46	-2.0	-94.29	373.76	2.95	-91.34
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CC([O-])=CC(=O)O1	REAL300028880028	0	45	-2.0	-91.39	368.01	1.93	-89.46
N#CC1=CC=C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C=C1[O-]	REAL300028880031	1	47	-2.0	-95.10	389.39	3.28	-91.82
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=C[N-]N=CC1=O	REAL300028880102	0	44	-2.0	-84.54	351.91	1.32	-83.22
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CC=CC(F)=C1[O-]	REAL300028880109	0	46	-2.0	-103.71	373.30	4.35	-99.36
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CC=CC([O-])=C1F	REAL300028880181	1	46	-2.0	-101.68	373.62	2.93	-98.75
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CC(=O)N[N-]1	REAL300028880256	0	43	-2.0	-92.80	352.26	-0.68	-93.48
C[PH](C)([O-])C(=O)C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880262	0	48	-2.0	-91.83	390.57	0.52	-91.31
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CC(=O)N([O-])C=C1	REAL300028880321	0	46	-2.0	-105.57	375.27	3.39	-102.18
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=NC(=O)N[N-]1	REAL300028880338	0	42	-2.0	-96.43	346.85	-1.98	-98.41
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CC=CN([O-])C1=O	REAL300028880343	0	46	-2.0	-116.81	372.16	3.43	-113.38
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CC(F)=CC=C1O	REAL300028880463	0	46	-2.0	-97.87	373.49	4.34	-93.53
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CC(F)=CC=C1[O-]	REAL300028880463	1	46	-2.0	-97.87	373.49	4.34	-93.53
CC1=CC=NC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1O	REAL300028880510	0	48	-2.0	-102.27	384.63	3.26	-99.01
CC1=CC=NC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1[O-]	REAL300028880510	1	48	-2.0	-102.27	384.63	3.26	-99.01
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CN=CC(O)=C1	REAL300028880578	0	45	-2.0	-95.35	359.70	0.90	-94.45
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CN=CC([O-])=C1	REAL300028880578	1	45	-2.0	-95.35	359.70	0.90	-94.45
O=C(CC1=NC([O-])=CS1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300028880680	0	45	-2.0	-109.45	374.22	-0.94	-110.39
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=C(O)C=CC=C1F	REAL300028880693	0	46	-2.0	-96.74	374.41	2.66	-94.08
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=C([O-])C=CC=C1F	REAL300028880693	1	46	-2.0	-96.74	374.41	2.66	-94.08
CC1=CC(=O)C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=N[N-]1	REAL300028880803	0	47	-2.0	-94.34	376.44	2.80	-91.54
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CC=CC(=O)N1[O-]	REAL300028880821	0	46	-2.0	-115.08	372.08	4.09	-110.99
N#CC1=CC=C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C(=O)[N-]1	REAL300028880841	0	46	-2.0	-95.00	381.93	1.22	-93.78
CN1N=C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)[N-]C1=O	REAL300028880871	0	45	-2.0	-98.08	369.50	-0.47	-98.55
N#CC1=CC=C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C([O-])=C1	REAL300028880906	0	47	-2.0	-96.04	387.86	4.68	-91.36
N#CC1=CC=C([O-])C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=C1	REAL300028880912	0	47	-2.0	-96.04	387.90	4.70	-91.34
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CC=C(F)C([O-])=C1	REAL300028881010	1	46	-2.0	-102.62	375.46	2.90	-99.72
O=C([N-]C1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(F)(F)C(F)(F)F	REAL300028881018	0	41	-2.0	-82.70	350.88	1.84	-80.86
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=NC(=O)[N-]C(=O)N1	REAL300028881068	0	44	-2.0	-92.07	366.04	-2.98	-95.05
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=NC(=O)NC(=O)[N-]1	REAL300028881068	1	44	-2.0	-92.07	366.04	-2.98	-95.05
NC1=NC=C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C(=O)N1	REAL300028881108	0	46	-2.0	-99.81	370.37	0.07	-99.74
NC1=NC=C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)C(=O)[N-]1	REAL300028881108	1	46	-2.0	-99.81	370.37	0.07	-99.74
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CC=NC=C1O	REAL300028881200	0	45	-2.0	-98.88	362.37	2.47	-96.41
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CC=NC=C1[O-]	REAL300028881200	1	45	-2.0	-98.88	362.37	2.47	-96.41
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CC(=O)[N-]O1	REAL300028881205	0	42	-2.0	-97.35	347.01	-0.21	-97.56
CC1SC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=NC1=O	REAL300028881222	0	45	-2.0	-99.25	374.46	-0.73	-99.98
CC1=C([O-])N=C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)S1	REAL300028881222	1	45	-2.0	-99.25	374.46	-0.73	-99.98
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(=O)C1=CC=C(O)C=C1	REAL300028881301	0	48	-2.0	-92.50	389.22	2.57	-89.93
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C(=O)C1=CC=C([O-])C=C1	REAL300028881301	1	48	-2.0	-92.50	389.22	2.57	-89.93
CCN1[N-]C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CC1=O	REAL300028881384	0	49	-2.0	-95.52	396.80	1.97	-93.55
CN1[N-]C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CC1=O	REAL300028881400	0	46	-2.0	-94.94	375.00	1.04	-93.90
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C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(C#N)C([O-])=C1	REAL300028891043	1	36	-2.0	-95.32	335.68	-0.60	-95.92
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(Cl)=NC=C1[O-]	REAL300028891049	0	34	-2.0	-93.43	325.52	-0.81	-94.24
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(N)[N-]C(=O)C(C#N)=C1	REAL300028891057	0	37	-2.0	-90.52	339.41	-3.66	-94.18
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)[N-]C(=O)C(F)(F)C(F)(F)C(F)F	REAL300028891059	0	33	-2.0	-84.56	320.56	-1.54	-86.10
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1N=CC(=O)[N-]C1=O	REAL300028891077	0	36	-2.0	-95.26	334.56	-6.08	-101.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C[N-]N=CC1=O	REAL300028891216	0	33	-2.0	-83.81	302.77	-2.42	-86.23
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC(F)=C1[O-]	REAL300028891229	0	35	-2.0	-103.89	319.59	0.64	-103.25
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC([O-])=C1F	REAL300028891375	1	35	-2.0	-102.12	319.91	-0.96	-103.08
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300028891468	0	37	-2.0	-94.93	341.52	0.75	-94.18
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300028891549	0	37	-2.0	-89.97	332.71	-3.06	-93.03
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)C=C([O-])C1=CC=CC=N1	REAL300028891580	0	40	-2.0	-106.33	366.31	0.40	-105.93
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=C(CC2CC2)NC1=O	REAL300028891604	0	43	-2.0	-91.11	374.58	-0.44	-91.55
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=C(CC2CC2)[N-]C1=O	REAL300028891604	1	43	-2.0	-91.11	374.58	-0.44	-91.55
COCC1=NC=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300028891629	0	40	-2.0	-91.78	356.59	-3.80	-95.58
COCC1=NC=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028891629	1	40	-2.0	-91.78	356.59	-3.80	-95.58
CC1=CC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=CC([N+](=O)[O-])=C1[O-]	REAL300028891639	0	40	-2.0	-93.30	361.54	1.50	-91.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)N([O-])C=C1	REAL300028891704	0	35	-2.0	-105.45	321.55	-0.49	-105.94
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL300028891744	0	35	-2.0	-96.02	332.38	-0.83	-96.85
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(O)C=CC=C1Cl	REAL300028891750	0	35	-2.0	-93.25	334.76	-0.70	-93.95
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C([O-])C=CC=C1Cl	REAL300028891750	1	35	-2.0	-93.25	334.76	-0.70	-93.95
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CN([O-])C1=O	REAL300028891760	0	35	-2.0	-105.33	318.76	-0.33	-105.66
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(F)C=CC(O)=C1F	REAL300028891805	0	35	-2.0	-100.40	331.64	-1.11	-101.51
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(F)C=CC([O-])=C1F	REAL300028891805	1	35	-2.0	-100.40	331.64	-1.11	-101.51
CC1=NC2=NC=C(C(=O)N[C@H](C)CNC(=O)C3=CC(=O)[N-]O3)C(=O)N2[N-]1	REAL300028891892	0	39	-2.0	-90.36	350.76	0.71	-89.65
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC(N)=CC(=O)[N-]1	REAL300028891937	0	35	-2.0	-97.46	322.71	-5.12	-102.58
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1C=C(C#N)C(=O)[N-]C1=O	REAL300028891949	0	38	-2.0	-104.90	358.99	-3.81	-108.71
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C([O-])C(Cl)=C1	REAL300028892024	0	35	-2.0	-91.35	331.51	-0.46	-91.81
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(F)=CC=C1[O-]	REAL300028892033	1	35	-2.0	-96.56	319.78	0.64	-95.92
CC1=CC=NC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300028892137	1	37	-2.0	-100.21	330.92	-0.44	-100.65
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300028892205	0	35	-2.0	-99.94	335.73	1.15	-98.79
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=CC([O-])=C1	REAL300028892338	1	34	-2.0	-94.69	310.56	-2.84	-97.53
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC(=S)N1[O-]	REAL300028892353	0	35	-2.0	-118.82	329.74	1.54	-117.28
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300028892519	1	43	-2.0	-92.51	370.50	-0.90	-93.41
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300028892538	1	37	-2.0	-95.20	344.24	-2.54	-97.74
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C([O-])C(Cl)=N1	REAL300028892543	0	34	-2.0	-88.40	328.91	-2.28	-90.68
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N	REAL300028892618	0	39	-2.0	-96.01	351.81	-0.99	-97.00
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C([O-])C=C1Cl	REAL300028892625	1	35	-2.0	-92.12	328.02	-0.49	-92.61
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300028892628	0	38	-2.0	-96.24	347.08	-1.13	-97.37
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=NC([O-])=CS1	REAL300028892643	0	34	-2.0	-103.86	325.06	-4.66	-108.52
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C([O-])C=CC=C1F	REAL300028892670	1	35	-2.0	-101.99	325.27	-1.08	-103.07
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300028892674	0	37	-2.0	-96.47	340.33	-3.98	-100.45
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(F)C=C1[O-]	REAL300028892679	0	35	-2.0	-98.62	319.77	0.65	-97.97
CC1=CC=C(F)C([O-])=C1C(=O)N[C@H](C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028892738	0	38	-2.0	-109.65	344.72	-0.53	-110.18
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1SC(=O)[N-]C1=O	REAL300028892846	0	35	-2.0	-90.23	332.33	-5.42	-95.65
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C([O-])C(F)=C1F	REAL300028892877	0	35	-2.0	-94.58	326.14	-0.87	-95.45
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300028892881	1	36	-2.0	-82.52	335.00	-2.24	-84.76
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC(Cl)=C1[O-]	REAL300028892888	0	35	-2.0	-99.00	329.40	1.11	-97.89
CC1=CC(=O)C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300028892929	0	36	-2.0	-93.44	327.26	-0.79	-94.23
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300028892933	0	40	-2.0	-103.55	357.05	-0.92	-104.47
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC(=O)N1[O-]	REAL300028892969	0	35	-2.0	-116.42	318.62	0.50	-115.92
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(C#N)[N-]C1=O	REAL300028893016	0	35	-2.0	-86.55	328.47	-2.54	-89.09
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300028893017	0	37	-2.0	-95.16	345.44	-8.43	-103.59
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300028893017	1	37	-2.0	-88.93	345.38	-8.37	-97.30
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300028893046	0	37	-2.0	-88.16	342.24	0.29	-87.87
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NN(C)C(=O)[N-]1	REAL300028893094	0	34	-2.0	-95.72	315.80	-4.36	-100.08
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300028893140	0	37	-2.0	-90.24	343.25	-3.18	-93.42
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(F)C=CC(O)=C1O	REAL300028893183	0	36	-2.0	-102.78	336.01	-3.02	-105.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300028893183	1	36	-2.0	-102.78	336.01	-3.02	-105.80
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(C#N)=CC=C1[O-]	REAL300028893196	0	36	-2.0	-94.28	334.20	1.00	-93.28
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300028893350	0	35	-2.0	-89.84	323.95	-2.85	-92.69
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300028893390	0	35	-2.0	-93.49	335.92	1.15	-92.34
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(F)C([O-])=C1	REAL300028893427	1	35	-2.0	-99.65	321.75	-0.98	-100.63
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300028893436	1	40	-2.0	-109.97	354.14	1.05	-108.92
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300028893439	0	37	-2.0	-95.31	341.53	1.24	-94.07
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300028893443	0	37	-2.0	-90.88	341.54	1.25	-89.63
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)[N-]C(=O)C(F)(F)C(F)(F)F	REAL300028893445	0	30	-2.0	-81.00	296.44	-2.24	-83.24
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(Cl)C=C1[O-]	REAL300028893457	1	35	-2.0	-98.41	330.09	1.10	-97.31
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300028893489	0	37	-2.0	-89.01	343.73	-0.39	-89.40
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300028893595	0	33	-2.0	-95.01	311.67	-7.62	-102.63
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300028893595	1	33	-2.0	-88.00	312.32	-6.86	-94.86
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300028893645	0	37	-2.0	-100.49	337.74	-1.98	-102.47
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300028893692	1	40	-2.0	-105.32	355.86	1.20	-104.12
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(Cl)C(=O)[N-]S1	REAL300028893693	0	31	-2.0	-90.69	316.11	-3.26	-93.95
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=C(N)[N-]C1=O	REAL300028893721	1	35	-2.0	-91.42	316.95	-3.69	-95.11
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300028893762	0	38	-2.0	-89.55	348.33	-1.89	-91.44
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(F)C([O-])=C1F	REAL300028893790	0	35	-2.0	-101.95	326.10	-0.89	-102.84
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300028893859	0	35	-2.0	-91.44	337.72	-0.39	-91.83
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300028893866	1	36	-2.0	-90.43	335.73	-1.53	-91.96
COC1=NC(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300028893873	0	37	-2.0	-93.47	339.27	-6.55	-100.02
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300028893876	0	37	-2.0	-96.57	333.92	-1.09	-97.66
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC=CC(Cl)=C1[O-]	REAL300028893889	0	34	-2.0	-96.33	326.80	-0.63	-96.96
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300028893896	1	38	-2.0	-97.31	356.21	0.17	-97.14
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C(Cl)C([O-])=C1	REAL300028893941	0	35	-2.0	-95.64	331.55	-0.49	-96.13
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NC=C1[O-]	REAL300028893953	1	34	-2.0	-98.57	308.65	-1.23	-99.80
CC1=C([O-])N=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300028894009	1	34	-2.0	-99.50	325.09	-4.44	-103.94
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C([O-])C=CC2=CC=CC=C21	REAL300028894065	1	41	-2.0	-98.04	364.21	1.07	-96.97
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300028894082	1	41	-2.0	-104.37	358.30	2.91	-101.46
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300028894091	1	41	-2.0	-106.67	359.40	2.84	-103.83
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C(=O)C1=CC=C([O-])C=C1	REAL300028894145	1	37	-2.0	-91.27	335.86	-1.17	-92.44
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN=C(C=N[O-])S1	REAL300028894184	0	34	-2.0	-100.70	333.92	-2.97	-103.67
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300028894220	1	34	-2.0	-86.49	328.70	-1.27	-87.76
CSC1=NC=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028894250	1	37	-2.0	-92.13	344.89	-2.52	-94.65
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)NC([O-])=C1	REAL300028894260	0	35	-2.0	-89.67	321.65	-5.39	-95.06
CCN1[N-]C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028894355	0	38	-2.0	-93.12	343.09	-1.92	-95.04
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CNC(=O)C1=NC=CC=C1[O-]	REAL300028894365	1	41	-2.0	-103.41	369.57	-2.62	-106.03
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300028894375	0	35	-2.0	-92.37	321.36	-2.85	-95.22
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300028894388	1	38	-2.0	-103.28	344.07	-2.46	-105.74
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300028894393	0	35	-2.0	-93.06	335.53	-4.74	-97.80
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300028894394	1	37	-2.0	-112.16	348.90	-3.47	-115.63
CC1=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C2CC2)=N1	REAL300028894403	1	43	-2.0	-93.57	370.77	-0.80	-94.37
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CC1=CC(=O)N[N-]1	REAL300028894584	1	35	-2.0	-95.90	319.22	-3.94	-99.84
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=C([O-])C(F)=C1	REAL300028894591	1	35	-2.0	-95.20	321.71	-0.94	-96.14
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300028894653	0	35	-2.0	-94.84	327.92	-0.87	-95.71
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC=NC(Cl)=C1[O-]	REAL300028894658	0	34	-2.0	-96.79	324.83	-0.78	-97.57
CC1=C(CC(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300028894680	0	41	-2.0	-101.22	362.03	-1.53	-102.75
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)CCC(=O)C1=CC=C([O-])C=C1	REAL300028894690	1	43	-2.0	-92.80	381.65	0.29	-92.51
CC1=CN=C(C(=O)N[C@H](C)CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300028894730	1	37	-2.0	-101.66	332.04	-0.50	-102.16
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=C(O)C=CC(Cl)=C1[O-]	REAL300028894748	0	36	-2.0	-92.06	345.72	-3.39	-95.45
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC([O-])=CS1	REAL300028894773	0	32	-2.0	-97.79	307.77	-2.10	-99.89
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CN([O-])C(=O)C=C1	REAL300028894798	0	35	-2.0	-104.47	321.18	-0.49	-104.96
C[C@H](CNC(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300028894805	0	35	-2.0	-93.25	335.79	1.18	-92.07
C[C@H](CNC(=O)C1=CN([O-])C(=O)NC1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300028894856	0	35	-2.0	-90.51	324.02	-2.84	-93.35
C[C@H](CNC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)NC(=O)C1=CC(=O)[N-]O1	REAL300028894891	1	36	-2.0	-84.88	335.07	-2.23	-87.11
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300028895435	1	47	-2.0	-96.37	388.89	1.10	-95.27
O=C(CCCN1C(=O)[N-]NC1=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896147	0	48	-2.0	-91.24	400.60	-1.30	-92.54
O=C(CCC1=NNC(=O)[N-]C1=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896386	0	46	-2.0	-90.74	388.51	-3.93	-94.67
CC(=O)[N-]C1=NC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300028896387	1	44	-2.0	-89.98	382.49	-0.52	-90.50
O=C(CCN1C=C[N-]C(=O)C1=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896566	1	47	-2.0	-98.83	394.04	0.11	-98.72
COC1=C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300028896688	1	45	-2.0	-94.99	377.91	-2.75	-97.74
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]C1=O	REAL300028896815	0	40	-2.0	-91.83	343.95	-4.16	-95.99
O=C(CN1C(=O)[N-]NC1=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028896943	0	42	-2.0	-92.52	358.08	-2.50	-95.02
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)C=C1	REAL300028897898	0	42	-2.0	-102.06	355.00	1.99	-100.07
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)NC([O-])=C1	REAL300028898082	0	42	-2.0	-89.93	355.49	-2.93	-92.86
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300028898095	1	38	-2.0	-94.16	327.46	-3.11	-97.27
CCN1[N-]C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028898346	0	45	-2.0	-92.76	376.84	0.53	-92.23
O=C(CC1=CC(=O)N[N-]1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898355	1	42	-2.0	-94.14	353.07	-1.47	-95.61
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=S)N1[O-]	REAL300028898380	0	42	-2.0	-115.05	363.59	4.01	-111.04
O=C(CC1SC(=O)[N-]C1=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898396	0	42	-2.0	-86.84	366.63	-2.96	-89.80
CN1N=C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300028898415	0	41	-2.0	-95.28	349.59	-1.91	-97.19
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300028898543	0	40	-2.0	-86.43	336.59	0.07	-86.36
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C2N=NN([O-])C2=C1	REAL300028898583	0	44	-2.0	-97.61	371.56	0.48	-97.13
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300028898690	0	39	-2.0	-89.85	332.36	-2.10	-91.95
C[PH](C)([O-])C(=O)C(=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028898695	0	44	-2.0	-88.01	370.94	-0.77	-88.78
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300028898746	0	42	-2.0	-111.61	352.71	2.15	-109.46
CSC1=NC=C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300028898767	0	44	-2.0	-96.25	378.85	-0.05	-96.30
CSC1=NC=C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028898767	1	44	-2.0	-96.25	378.85	-0.05	-96.30
CC1SC(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300028898793	0	41	-2.0	-102.20	359.17	-1.88	-104.08
CC1=C([O-])N=C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300028898793	1	41	-2.0	-102.20	359.17	-1.88	-104.08
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)N1	REAL300028898816	0	41	-2.0	-86.46	362.52	1.20	-85.26
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300028898816	1	41	-2.0	-86.46	362.52	1.20	-85.26
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300028898841	0	42	-2.0	-103.26	355.63	2.06	-101.20
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300028898906	0	42	-2.0	-113.10	352.48	2.98	-110.12
O=C(C[N-]C(=O)C(F)(F)F)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899090	0	41	-2.0	-87.86	362.52	-2.20	-90.06
NC1=NC([O-])=C(CC(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300028899091	0	43	-2.0	-104.98	373.72	-3.04	-108.02
O=C(CC1=NC([O-])=CS1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899157	0	41	-2.0	-103.82	358.91	-2.18	-106.00
CCC1=NC=C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028899184	1	46	-2.0	-94.92	377.80	0.50	-94.42
O=C(CN1N=CC(=O)[N-]C1=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899197	0	43	-2.0	-95.31	368.42	-3.61	-98.92
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C(Cl)C(=O)[N-]S1	REAL300028899282	0	38	-2.0	-90.00	349.85	-0.80	-90.80
COCC1=NC=C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300028899401	0	47	-2.0	-95.45	390.54	-1.32	-96.77
COCC1=NC=C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028899401	1	47	-2.0	-95.45	390.54	-1.32	-96.77
CC1=CC(=O)C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300028899508	0	43	-2.0	-93.37	361.15	1.70	-91.67
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]1	REAL300028899527	0	38	-2.0	-92.75	326.83	-3.58	-96.33
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300028899553	0	43	-2.0	-90.60	369.81	1.02	-89.58
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300028899553	1	43	-2.0	-90.60	369.81	1.02	-89.58
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C=N[O-])S1	REAL300028899701	0	41	-2.0	-100.33	367.72	-0.55	-100.88
CN1[N-]C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028899954	0	42	-2.0	-92.05	355.10	-0.39	-92.44
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300028899964	1	45	-2.0	-99.79	377.91	0.03	-99.76
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028899967	0	42	-2.0	-91.96	369.53	-2.18	-94.14
CC1=C(C(=O)NC[C@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300028899968	1	44	-2.0	-103.94	382.98	-0.98	-104.92
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300028900197	0	40	-2.0	-96.62	345.51	-5.15	-101.77
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300028900197	1	40	-2.0	-88.83	346.40	-4.31	-93.14
O=C(COC1=NC(=O)[N-]C(=O)N1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028900276	0	44	-2.0	-94.43	379.45	-5.87	-100.30
O=C(COC1=NC(=O)NC(=O)[N-]1)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028900276	1	44	-2.0	-87.79	379.39	-5.81	-93.60
O=C(CN1[N-]C(=O)C=CC1=O)NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028900429	0	44	-2.0	-93.34	374.34	-1.43	-94.77
O=C(NC[C@H]1CCCN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028900686	1	41	-2.0	-109.02	347.12	1.50	-107.52
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028900811	1	47	-2.0	-99.36	397.15	0.37	-98.99
CC(=O)[N-]C1=NC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300028900825	1	44	-2.0	-84.87	382.45	0.19	-84.68
O=C(NC[C@H]1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300028900860	0	40	-2.0	-97.42	348.35	-5.25	-102.67
COC1=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300028900917	1	45	-2.0	-92.82	386.87	-4.05	-96.87
O=C(CN1C(=O)[N-]NC1=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028901104	0	42	-2.0	-101.57	361.15	-2.27	-103.84
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028902205	0	48	-2.0	-92.88	403.46	-1.01	-93.89
O=C(NC[C@H]1CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300028902438	1	47	-2.0	-103.51	397.91	0.91	-102.60
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028903392	0	46	-2.0	-95.82	391.39	-3.76	-99.58
O=C(NC[C@H]1CCCN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300028903402	0	44	-2.0	-108.02	377.55	3.16	-104.86
O=C(NC[C@H]1CCCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028903416	1	42	-2.0	-104.66	369.20	2.17	-102.49
N#CC1=CC([O-])=CC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028903450	1	43	-2.0	-94.45	373.84	1.76	-92.69
NC1=CC=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1Cl	REAL300028903482	0	44	-2.0	-110.40	381.02	0.19	-110.21
O=C(NC[C@H]1CCCN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028903548	0	44	-2.0	-114.35	378.45	3.44	-110.91
CCC1=NC=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028903582	1	46	-2.0	-101.73	386.80	0.23	-101.50
O=C(NC[C@H]1CCCN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300028903607	1	38	-2.0	-87.16	327.34	-1.52	-88.68
O=C(NC[C@H]1CCCN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300028903695	0	44	-2.0	-111.20	382.25	2.24	-108.96
O=C(C[N-]C(=O)C(F)(F)F)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028903713	0	41	-2.0	-92.22	365.61	-1.98	-94.20
NC1=NC([O-])=C(CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300028903714	0	43	-2.0	-113.72	376.81	-2.78	-116.50
O=C(NC[C@H]1CCCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300028903725	0	42	-2.0	-89.31	369.26	1.64	-87.67
O=C(NC[C@H]1CCCN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300028903749	1	42	-2.0	-94.76	359.12	1.44	-93.32
O=C(NC[C@H]1CCCN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300028903758	0	41	-2.0	-90.82	354.89	0.83	-89.99
N#CC1=CC=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300028903769	1	43	-2.0	-105.81	371.32	1.72	-104.09
O=C(NC[C@H]1CCCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028903775	0	41	-2.0	-100.08	364.29	0.19	-99.89
N#CC1=CC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C(N)[N-]C1=O	REAL300028903782	0	44	-2.0	-90.44	383.93	-1.56	-92.00
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028903801	0	43	-2.0	-105.97	371.51	-3.40	-109.37
CC1=CC=C([O-])C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300028903894	1	44	-2.0	-110.02	368.72	2.09	-107.93
O=C(NC[C@H]1CCCN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300028903922	0	40	-2.0	-92.48	345.71	-0.09	-92.57
O=C(NC[C@H]1CCCN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028903936	0	42	-2.0	-113.45	358.46	2.22	-111.23
O=C(NC[C@H]1CCCN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300028904071	1	42	-2.0	-109.20	356.53	1.40	-107.80
O=C(NC[C@H]1CCCN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300028904158	0	44	-2.0	-100.32	378.94	3.18	-97.14
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300028904228	0	39	-2.0	-91.22	332.44	-1.57	-92.79
C[PH](C)([O-])C(=O)C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028904236	0	44	-2.0	-93.80	371.53	-0.65	-94.45
COCC1=NC=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300028904306	0	47	-2.0	-101.89	399.73	-1.53	-103.42
COCC1=NC=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028904306	1	47	-2.0	-101.89	399.73	-1.53	-103.42
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300028904369	0	42	-2.0	-103.37	363.37	2.08	-101.29
O=C(NC[C@H]1CCCN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300028904403	0	42	-2.0	-99.49	371.41	1.57	-97.92
O=C(NC[C@H]1CCCN(C(=O)C2=NNC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300028904405	0	38	-2.0	-95.39	326.88	-3.10	-98.49
O=C(NC[C@H]1CCCN(C(=O)C2=C(O)C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300028904411	0	42	-2.0	-101.63	372.20	2.01	-99.62
O=C(NC[C@H]1CCCN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300028904411	1	42	-2.0	-101.63	372.20	2.01	-99.62
O=C(NC[C@H]1CCCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300028904420	0	42	-2.0	-117.67	362.01	2.03	-115.64
O=C(NC[C@H]1CCCN(C(=O)C2=C(F)C=CC(O)=C2F)C1)C1=CC(=O)[N-]O1	REAL300028904461	0	42	-2.0	-96.74	369.09	1.60	-95.14
O=C(NC[C@H]1CCCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300028904461	1	42	-2.0	-96.74	369.09	1.60	-95.14
O=C(NC[C@H]1CCCN(C(=O)C2=CC(F)=CC=C2O)C1)C1=CC(=O)[N-]O1	REAL300028904673	0	42	-2.0	-103.79	358.88	1.73	-102.06
O=C(NC[C@H]1CCCN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028904673	1	42	-2.0	-103.79	358.88	1.73	-102.06
CC1=CC=NC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C1O	REAL300028904769	0	44	-2.0	-99.67	364.90	2.76	-96.91
CC1=CC=NC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300028904769	1	44	-2.0	-99.67	364.90	2.76	-96.91
O=C(NC[C@H]1CCCN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028904835	0	42	-2.0	-108.90	374.83	2.27	-106.63
O=C(NC[C@H]1CCCN(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300028904964	1	41	-2.0	-89.76	347.28	-0.44	-90.20
O=C(NC[C@H]1CCCN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300028904977	0	42	-2.0	-120.26	373.70	2.47	-117.79
NC1=CC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=CC([O-])=C1Cl	REAL300028905147	1	44	-2.0	-91.66	381.64	-0.13	-91.79
O=C(NC[C@H]1CCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=CC(=O)[N-]O1	REAL300028905152	0	41	-2.0	-85.54	363.40	0.87	-84.67
O=C(NC[C@H]1CCCN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300028905222	1	42	-2.0	-93.06	367.82	1.87	-91.19
N#CC1=CC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C([O-])C=C1N	REAL300028905225	0	45	-2.0	-102.38	386.23	0.00	-102.38
O=C(CC1=NC([O-])=CS1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905238	0	41	-2.0	-115.14	362.00	-1.90	-117.04
O=C(NC[C@H]1CCCN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=CC(=O)[N-]O1	REAL300028905263	0	42	-2.0	-102.84	362.70	1.62	-101.22
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905266	0	44	-2.0	-101.64	377.28	-1.30	-102.94
O=C(NC[C@H]1CCCN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028905269	0	42	-2.0	-107.02	358.87	1.72	-105.30
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905319	0	45	-2.0	-106.76	382.14	2.19	-104.57
O=C(CC1SC(=O)[N-]C1=O)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905416	0	42	-2.0	-86.88	369.06	-2.66	-89.54
O=C(NC[C@H]1CCCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=CC(=O)[N-]O1	REAL300028905449	0	42	-2.0	-96.80	365.21	1.51	-95.29
O=C(NC[C@H]1CCCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300028905452	1	43	-2.0	-85.57	374.60	-0.11	-85.68
O=C(NC[C@H]1CCCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028905458	0	42	-2.0	-107.76	368.27	2.69	-105.07
CC1=CC(=O)C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300028905496	0	43	-2.0	-97.35	361.33	2.11	-95.24
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905502	0	47	-2.0	-113.58	392.88	1.78	-111.80
O=C(NC[C@H]1CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300028905536	0	42	-2.0	-117.47	362.58	1.84	-115.63
N#CC1=CC=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028905583	0	42	-2.0	-97.12	371.71	-0.25	-97.37
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905584	0	44	-2.0	-95.00	382.38	-5.65	-100.65
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028905584	1	44	-2.0	-91.46	382.32	-5.59	-97.05
O=C(NC[C@H]1CCCN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300028905615	0	44	-2.0	-89.89	377.32	2.84	-87.05
CN1N=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300028905660	0	41	-2.0	-98.91	349.90	-1.41	-100.32
[N-]=[N+]=NC1=CC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=CC=C1[O-]	REAL300028905701	0	44	-2.0	-91.77	380.45	-0.79	-92.56
O=C(NC[C@H]1CCCN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C1=CC(=O)[N-]O1	REAL300028905744	0	43	-2.0	-103.46	373.43	-0.31	-103.77
O=C(NC[C@H]1CCCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028905744	1	43	-2.0	-103.46	373.43	-0.31	-103.77
N#CC1=CC=C([O-])C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300028905757	0	43	-2.0	-100.52	373.31	2.10	-98.42
O=C(NC[C@H]1CCCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=CC(=O)[N-]O1	REAL300028905897	0	42	-2.0	-94.02	367.34	-0.55	-94.57
O=C(NC[C@H]1CCCN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028905937	0	42	-2.0	-99.72	376.08	2.30	-97.42
O=C(NC[C@H]1CCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300028905972	1	42	-2.0	-109.14	357.39	1.35	-107.79
O=C(NC[C@H]1CCCN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300028905981	1	47	-2.0	-120.01	393.19	2.27	-117.74
O=C(NC[C@H]1CCCN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028905985	0	44	-2.0	-103.64	380.62	2.33	-101.31
O=C(NC[C@H]1CCCN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028905988	0	44	-2.0	-95.86	380.53	2.39	-93.47
O=C(NC[C@H]1CCCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028906002	1	42	-2.0	-106.98	369.19	2.17	-104.81
O=C(NC[C@H]1CCCN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300028906024	0	44	-2.0	-86.62	381.14	2.04	-84.58
O=C(NC[C@H]1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300028906111	0	40	-2.0	-88.73	350.02	-4.53	-93.26
O=C(NC[C@H]1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300028906111	1	40	-2.0	-88.73	350.02	-4.53	-93.26
O=C(NC[C@H]1CCCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1)C1=CC(=O)[N-]O1	REAL300028906147	0	44	-2.0	-106.02	375.26	0.43	-105.59
O=C(NC[C@H]1CCCN(C(=O)C2=C(O)C3=CC=CC=C3C=N2)C1)C1=CC(=O)[N-]O1	REAL300028906190	0	47	-2.0	-114.57	392.71	3.73	-110.84
O=C(NC[C@H]1CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1)C1=CC(=O)[N-]O1	REAL300028906190	1	47	-2.0	-114.57	392.71	3.73	-110.84
O=C(NC[C@H]1CCCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=CC(=O)[N-]O1	REAL300028906191	0	38	-2.0	-92.68	351.71	-0.87	-93.55
NC1=NC=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300028906216	0	42	-2.0	-102.03	360.16	-1.43	-103.46
NC1=NC=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028906216	1	42	-2.0	-102.03	360.16	-1.43	-103.46
CC1=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300028906250	0	45	-2.0	-94.84	390.93	0.30	-94.54
O=C(NC[C@H]1CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1)C1=CC(=O)[N-]O1	REAL300028906336	0	42	-2.0	-90.78	375.16	2.01	-88.77
O=C(NC[C@H]1CCCN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300028906342	0	43	-2.0	-90.37	377.02	1.01	-89.36
O=C(NC[C@H]1CCCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300028906342	1	43	-2.0	-90.37	377.02	1.01	-89.36
O=C(NC[C@H]1CCCN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1)C1=CC(=O)[N-]O1	REAL300028906351	0	44	-2.0	-99.76	376.65	-0.01	-99.77
O=C(NC[C@H]1CCCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028906364	0	41	-2.0	-96.17	360.76	2.57	-93.60
O=C(CC1=CC=C(O)C(Cl)=C1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906370	0	45	-2.0	-106.40	393.15	2.93	-103.47
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906370	1	45	-2.0	-106.40	393.15	2.93	-103.47
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300028906432	0	38	-2.0	-94.43	327.11	-1.62	-96.05
CC1SC(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300028906471	0	41	-2.0	-109.04	359.09	-0.78	-109.82
CC1=C([O-])N=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300028906471	1	41	-2.0	-109.04	359.09	-0.78	-109.82
O=C(NC[C@H]1CCCN(C(=O)C2=C(O)C=CC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300028906526	0	48	-2.0	-108.36	401.69	3.76	-104.60
O=C(NC[C@H]1CCCN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300028906526	1	48	-2.0	-108.36	401.69	3.76	-104.60
O=C(NC[C@H]1CCCN(C(=O)C2=C(O)C3=CC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300028906546	0	48	-2.0	-112.75	398.46	4.18	-108.57
O=C(NC[C@H]1CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300028906546	1	48	-2.0	-112.75	398.46	4.18	-108.57
O=C(NC[C@H]1CCCN(C(=O)C2=CC3=CC=CC=C3C=C2O)C1)C1=CC(=O)[N-]O1	REAL300028906554	0	48	-2.0	-115.27	399.55	4.07	-111.20
O=C(NC[C@H]1CCCN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028906554	1	48	-2.0	-115.27	399.55	4.07	-111.20
O=C(NC[C@H]1CCCN(C(=O)C(=O)C2=CC=C(O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300028906606	0	44	-2.0	-93.04	378.94	1.38	-91.66
O=C(NC[C@H]1CCCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300028906606	1	44	-2.0	-93.04	378.94	1.38	-91.66
O=C(NC[C@H]1CCCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=CC(=O)[N-]O1	REAL300028906644	0	41	-2.0	-102.45	367.92	-0.61	-103.06
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)C=C(Cl)N2)C1)C1=CC(=O)[N-]O1	REAL300028906680	0	41	-2.0	-88.51	364.66	1.79	-86.72
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300028906680	1	41	-2.0	-88.51	364.66	1.79	-86.72
CSC1=NC=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300028906706	0	44	-2.0	-102.68	388.11	-0.27	-102.95
CSC1=NC=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028906706	1	44	-2.0	-102.68	388.11	-0.27	-102.95
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300028906715	0	42	-2.0	-89.26	362.79	-2.84	-92.10
CCN1[N-]C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028906800	0	45	-2.0	-94.98	376.73	1.02	-93.96
CN1[N-]C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028906823	0	42	-2.0	-93.94	354.89	0.11	-93.83
O=C(NC[C@H]1CCCN(C(=O)C2=CC=CC3=C2C(=O)NC3=O)C1)C1=CC(=O)[N-]O1	REAL300028906837	0	45	-2.0	-114.83	385.09	-1.21	-116.04
O=C(NC[C@H]1CCCN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1)C1=CC(=O)[N-]O1	REAL300028906837	1	45	-2.0	-114.83	385.09	-1.21	-116.04
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028906841	0	42	-2.0	-95.06	372.47	-1.93	-96.99
CC1=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=S)NC(=O)N1	REAL300028906843	0	44	-2.0	-108.06	384.69	-0.68	-108.74
CC1=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300028906843	1	44	-2.0	-108.06	384.69	-0.68	-108.74
O=C(NC[C@H]1CCCN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300028906916	1	47	-2.0	-103.30	396.30	1.87	-101.43
O=C(CC1=CC(=O)N[N-]1)N1CCC[C@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300028907029	1	42	-2.0	-104.09	356.16	-1.20	-105.29
O=C(NC[C@H]1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300028907036	1	42	-2.0	-109.43	357.36	1.39	-108.04
O=C(NC[C@H]1CCCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300028907101	0	42	-2.0	-94.12	365.38	1.53	-92.59
O=C(NC[C@H]1CCCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028907107	0	41	-2.0	-104.70	363.38	0.69	-104.01
CC1=C(CC(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300028907128	0	48	-2.0	-105.08	399.04	1.21	-103.87
CC1=CN=C(C(=O)N2CCC[C@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300028907179	1	44	-2.0	-100.47	365.99	2.71	-97.76
O=C(NC[C@H]1CCCN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028907195	0	43	-2.0	-99.06	383.18	-0.67	-99.73
O=C(NC[C@H]1CCCN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300028907217	0	39	-2.0	-102.47	341.85	0.24	-102.23
O=C(NC[C@H]1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300028907241	0	42	-2.0	-101.47	362.46	2.03	-99.44
O=C(NC[C@H]1CCCN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300028907247	0	42	-2.0	-99.52	375.93	2.37	-97.15
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)NC1=O	REAL300028907301	0	42	-2.0	-91.12	358.14	-0.30	-91.42
O=C(NC[C@H]1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300028907336	1	43	-2.0	-85.63	368.84	0.21	-85.42
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300028907845	1	41	-2.0	-97.93	358.60	0.24	-97.69
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1	REAL300028908153	0	41	-2.0	-83.77	351.30	0.87	-82.90
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCN2C(=O)[N-]NC2=O)C1	REAL300028908701	0	42	-2.0	-92.50	364.16	-1.67	-94.17
CC(C)CN1[N-]C(CC(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028908901	0	48	-2.0	-98.71	398.48	2.02	-96.69
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)C1	REAL300028908994	0	40	-2.0	-90.32	351.85	-4.39	-94.71
CC(=O)[N-]C1=NC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300028908995	1	38	-2.0	-83.17	343.61	-0.73	-83.90
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1	REAL300028909209	1	41	-2.0	-103.23	356.87	0.53	-102.70
COC1=C(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300028909353	1	39	-2.0	-90.32	337.49	-3.37	-93.69
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300028909503	0	34	-2.0	-90.82	304.87	-4.58	-95.40
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300028909645	0	36	-2.0	-96.73	320.90	-2.07	-98.80
CC1=C(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C(C)C)=N1	REAL300028909688	1	46	-2.0	-99.15	387.52	0.69	-98.46
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300028910732	0	36	-2.0	-106.85	314.31	2.00	-104.85
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300028910937	0	36	-2.0	-85.45	314.86	-3.74	-89.19
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300028910953	1	32	-2.0	-89.52	288.24	-2.22	-91.74
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300028911012	1	44	-2.0	-97.55	374.46	0.79	-96.76
CCN1[N-]C(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028911223	0	39	-2.0	-89.16	338.24	0.22	-88.94
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300028911233	1	36	-2.0	-95.54	316.49	-1.91	-97.45
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300028911260	0	36	-2.0	-121.03	323.12	3.23	-117.80
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300028911279	0	36	-2.0	-85.95	330.23	-3.31	-89.26
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300028911298	0	35	-2.0	-92.37	311.05	-2.33	-94.70
CC1=C(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)NC(C2CC2)=N1	REAL300028911424	0	44	-2.0	-99.87	377.78	0.73	-99.14
CC1=C(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300028911424	1	44	-2.0	-99.87	377.78	0.73	-99.14
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300028911440	0	34	-2.0	-93.29	296.96	1.15	-92.14
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1	REAL300028911481	0	38	-2.0	-92.16	331.01	-0.33	-92.49
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300028911604	0	33	-2.0	-85.89	293.59	-2.53	-88.42
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300028911609	0	38	-2.0	-86.92	327.25	-0.21	-87.13
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2=NC(=O)NN2)C1	REAL300028911650	0	38	-2.0	-96.75	331.88	-2.78	-99.53
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300028911650	1	38	-2.0	-96.75	331.88	-2.78	-99.53
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300028911660	0	36	-2.0	-107.19	322.61	1.45	-105.74
CSC1=NC=C(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300028911686	0	38	-2.0	-97.26	349.08	-0.91	-98.17
CSC1=NC=C(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028911686	1	38	-2.0	-97.26	349.08	-0.91	-98.17
CC1SC(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300028911712	0	35	-2.0	-93.09	320.24	-2.16	-95.25
CC1=C([O-])N=C(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300028911712	1	35	-2.0	-93.09	320.24	-2.16	-95.25
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)C=C(Cl)N2)C1	REAL300028911736	0	35	-2.0	-82.77	323.28	0.88	-81.89
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300028911736	1	35	-2.0	-82.77	323.28	0.88	-81.89
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300028911763	0	36	-2.0	-101.73	315.39	1.09	-100.64
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300028911837	0	36	-2.0	-118.24	312.00	2.18	-116.06
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300028912053	0	35	-2.0	-85.81	326.08	-2.58	-88.39
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300028912054	0	37	-2.0	-104.89	336.39	-2.49	-107.38
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300028912131	0	35	-2.0	-104.95	322.47	-2.53	-107.48
CCC1=NC=C(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028912162	1	40	-2.0	-92.33	347.39	-0.33	-92.66
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300028912176	0	37	-2.0	-96.04	331.97	-3.99	-100.03
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1	REAL300028912275	0	32	-2.0	-90.83	308.56	-0.47	-91.30
COCC1=NC=C(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300028912410	0	41	-2.0	-96.32	360.70	-2.17	-98.49
COCC1=NC=C(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028912410	1	41	-2.0	-96.32	360.70	-2.17	-98.49
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(CC3CC3)NC2=O)C1	REAL300028912425	0	44	-2.0	-92.28	378.31	1.28	-91.00
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)C1	REAL300028912425	1	44	-2.0	-92.28	378.31	1.28	-91.00
CC1=CC(=O)C(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300028912533	0	37	-2.0	-90.62	322.05	1.28	-89.34
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NNC(=O)[N-]2)C1	REAL300028912556	0	32	-2.0	-89.44	288.21	-4.00	-93.44
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C1	REAL300028912583	0	37	-2.0	-85.79	328.65	0.02	-85.77
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1	REAL300028912583	1	37	-2.0	-85.79	328.65	0.02	-85.77
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300028912744	0	35	-2.0	-97.90	327.08	-1.24	-99.14
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300028913020	0	36	-2.0	-88.39	316.43	-0.71	-89.10
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1	REAL300028913030	1	39	-2.0	-105.42	340.31	-0.83	-106.25
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300028913034	0	36	-2.0	-90.24	332.94	-2.61	-92.85
CC1=C(C(=O)N2CC(N(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300028913035	1	38	-2.0	-104.85	346.74	-1.33	-106.18
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300028913293	0	34	-2.0	-88.57	306.38	-5.28	-93.85
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300028913293	1	34	-2.0	-83.27	307.63	-4.37	-87.64
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C1	REAL300028913391	0	38	-2.0	-91.89	342.85	-6.28	-98.17
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C1	REAL300028913391	1	38	-2.0	-86.21	342.79	-6.23	-92.44
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300028913565	0	38	-2.0	-93.96	337.74	-1.89	-95.85
CN(C(=O)C1=NC=CC=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028913771	1	35	-2.0	-99.60	305.76	1.57	-98.03
CN(C(=O)CCN1C=C[N-]C(=O)C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028913893	1	41	-2.0	-97.58	358.43	-0.26	-97.84
CC(=O)[N-]C1=NC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300028913911	1	38	-2.0	-81.69	343.92	-0.29	-81.98
CN(C(=O)C1=NNC(=O)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028913952	0	34	-2.0	-91.30	304.77	-3.48	-94.78
COC1=C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300028914022	1	39	-2.0	-89.07	348.27	-4.79	-93.86
CN(C(=O)CN1C(=O)[N-]NC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914236	0	36	-2.0	-91.38	322.09	-2.12	-93.50
CN(C(=O)CN1[N-]C=C2C1=NC=NC2=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028914306	0	40	-2.0	-97.24	355.96	-0.11	-97.35
CN(C(=O)CCCN1C(=O)[N-]NC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915499	0	42	-2.0	-90.39	364.62	-0.88	-91.27
CC(C)CN1[N-]C(CC(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028915709	0	48	-2.0	-96.66	401.08	3.33	-93.33
CN(C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028915769	1	41	-2.0	-97.53	358.00	1.02	-96.51
CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916024	0	41	-2.0	-78.45	353.57	0.46	-77.99
CC1=C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C(C)C)=N1	REAL300028916575	1	46	-2.0	-94.90	386.65	0.46	-94.44
CN(C(=O)CCC1=NNC(=O)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916920	0	40	-2.0	-91.89	352.68	-4.42	-96.31
CN(C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916930	0	38	-2.0	-91.77	337.54	3.31	-88.46
CN(C(=O)C1=CC(Cl)=CC=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916949	1	36	-2.0	-94.77	328.26	2.74	-92.03
CN(C(=O)C1=CC([O-])=CC(C#N)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028916987	1	37	-2.0	-84.06	330.72	0.92	-83.14
CN(C(=O)C1=CC=C(N)C(Cl)=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917023	0	38	-2.0	-100.51	340.95	-0.06	-100.57
CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917093	0	38	-2.0	-100.36	337.54	3.82	-96.54
CCC1=NC=C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028917132	1	40	-2.0	-95.80	347.16	0.37	-95.43
CN(C(=O)C1=COC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917162	1	32	-2.0	-94.14	288.28	-1.31	-95.45
CN(C(=O)C1=CC=CC([O-])=C1[N+](=O)[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917254	0	38	-2.0	-99.61	341.11	2.44	-97.17
CN(C(=O)C[N-]C(=O)C(F)(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917273	0	35	-2.0	-87.36	326.55	-1.84	-89.20
CN(C(=O)CC1=C([O-])N=C(N)S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917274	0	37	-2.0	-107.59	337.99	-3.39	-110.98
CN(C(=O)C1=C(F)C=C([O-])C=C1F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917287	0	36	-2.0	-84.58	330.22	0.89	-83.69
CN(C(=O)C1=CC=C([O-])C=C1F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917320	1	36	-2.0	-90.93	314.56	1.56	-89.37
CN(C(=O)C1=CC([O-])=C2SC=CC2=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917331	1	39	-2.0	-101.77	346.43	2.81	-98.96
CN(C(=O)C1=CC([O-])=CC(=O)O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917334	0	35	-2.0	-91.87	313.91	0.97	-90.90
CN(C(=O)C1=CC=C(C#N)C([O-])=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917349	1	37	-2.0	-94.63	329.77	1.87	-92.76
CN(C(=O)C1=CC(Cl)=NC=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917355	0	35	-2.0	-91.72	323.71	-0.10	-91.82
CN(C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917364	0	38	-2.0	-86.60	345.97	-2.13	-88.73
CN(C(=O)CN1N=CC(=O)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917385	0	37	-2.0	-99.78	332.67	-4.00	-103.78
CC1=CC=C([O-])C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300028917496	1	38	-2.0	-100.44	327.36	2.06	-98.38
CN(C(=O)C1=C[N-]N=CC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917529	0	34	-2.0	-88.45	307.12	0.07	-88.38
CN(C(=O)C1=CC=CC(F)=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917543	0	36	-2.0	-101.00	317.76	2.29	-98.71
CN(C(=O)C1=CC=CC([O-])=C1F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917696	1	36	-2.0	-99.01	318.00	1.54	-97.47
CN(C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917790	0	38	-2.0	-96.15	335.58	3.25	-92.90
CN(C(=O)C1=CC(=O)N[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917869	0	33	-2.0	-85.80	294.19	-2.29	-88.09
CN(C(=O)C(=O)[PH](C)(C)[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917877	0	38	-2.0	-90.21	327.97	0.26	-89.95
CN(C(=O)CC1=CC(=O)N(C)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917879	0	39	-2.0	-95.21	339.49	0.80	-94.41
CN(C(=O)C(=O)C=C([O-])C1=CC=CC=N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917909	0	41	-2.0	-98.36	361.96	2.44	-95.92
CN(C(=O)C1=CN=C(CC2CC2)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917933	1	44	-2.0	-95.66	375.44	1.98	-93.68
CN(C(=O)C1=CC(N)=C(F)C([O-])=C1F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917948	0	38	-2.0	-99.62	334.71	-0.48	-100.10
COCC1=NC=C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028917959	1	41	-2.0	-96.43	360.09	-1.39	-97.82
CC1=CC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300028917969	0	41	-2.0	-88.52	355.89	3.09	-85.43
CN(C(=O)C1=CC(F)=CC(F)=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028917998	0	36	-2.0	-94.07	320.50	3.10	-90.97
CN(C(=O)C1=CC(=O)N([O-])C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918035	0	36	-2.0	-102.28	315.81	2.00	-100.28
CN(C(=O)C1=CC(F)=C(F)C([O-])=C1F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918076	0	36	-2.0	-92.72	326.88	1.67	-91.05
CN(C(=O)C1=NC(=O)N[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918078	0	32	-2.0	-84.94	288.98	-3.00	-87.94
CN(C(=O)C1=C([O-])C=CC=C1Cl)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918083	1	36	-2.0	-92.56	333.22	1.35	-91.21
CN(C(=O)C1=CC=CN([O-])C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918093	0	36	-2.0	-111.56	323.40	2.21	-109.35
CN(C(=O)C1=C(F)C=CC([O-])=C1F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918140	1	36	-2.0	-90.50	330.06	0.85	-89.65
CC1=NC2=NC=C(C(=O)N(C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C(=O)N2[N-]1	REAL300028918234	0	40	-2.0	-96.00	355.40	3.15	-92.85
CN(C(=O)C1=NC(N)=CC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918282	0	36	-2.0	-95.13	318.29	-2.58	-97.71
CN(C(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918296	0	39	-2.0	-98.89	356.41	-0.82	-99.71
CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918373	0	36	-2.0	-90.34	325.57	2.04	-88.30
CN(C(=O)C1=CC(F)=CC=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918382	1	36	-2.0	-94.39	317.95	2.30	-92.09
CC1=CC=NC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300028918494	1	38	-2.0	-99.56	326.08	2.17	-97.39
CN(C(=O)C1=CC=C(Cl)C(F)=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918563	0	36	-2.0	-96.83	333.76	2.87	-93.96
CN(C(=O)C1=CN=CC([O-])=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918701	1	35	-2.0	-86.58	306.46	-1.10	-87.68
CN(C(=O)C1=CC=CC(=S)N1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918716	0	36	-2.0	-116.40	334.57	2.60	-113.80
CN(C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918887	1	44	-2.0	-94.02	375.41	0.77	-93.25
CN(C(=O)C1=CC(N)=C(Cl)C([O-])=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918906	1	38	-2.0	-88.20	338.60	-0.97	-89.17
CN(C(=O)C1=CC=C([O-])C(Cl)=N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918911	0	35	-2.0	-82.19	324.06	0.31	-81.88
CN(C(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918988	0	40	-2.0	-96.73	350.24	1.37	-95.36
CN(C(=O)C1=CC=C([O-])C=C1Cl)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918995	1	36	-2.0	-90.61	322.68	1.99	-88.62
CN(C(=O)C1=CC(C#N)=C(N)C=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028918998	0	39	-2.0	-93.78	345.20	0.60	-93.18
CN(C(=O)CC1=NC([O-])=CS1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919013	0	35	-2.0	-102.29	322.51	-1.63	-103.92
CN(C(=O)C1=C([O-])C=CC=C1F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919041	0	36	-2.0	-95.79	323.73	0.97	-94.82
CN(C(=O)CN1[N-]C(=O)C=CC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919045	0	38	-2.0	-95.73	338.53	-2.02	-97.75
CN(C(=O)C1=CC=C(F)C=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919050	0	36	-2.0	-95.46	314.28	3.05	-92.41
CC1=CC=C(F)C([O-])=C1C(=O)N(C)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919110	0	39	-2.0	-97.68	343.20	1.53	-96.15
CN(C(=O)CC1SC(=O)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919221	0	36	-2.0	-86.83	330.50	-3.41	-90.24
CN(C(=O)C1=CC=C([O-])C(F)=C1F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919254	0	36	-2.0	-92.27	324.24	1.64	-90.63
CN(C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919258	1	37	-2.0	-80.84	336.21	-0.77	-81.61
CN(C(=O)C1=CC=CC(Cl)=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919265	0	36	-2.0	-96.46	327.57	2.78	-93.68
CC1=CC(=O)C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300028919308	0	37	-2.0	-90.06	322.50	1.49	-88.57
CN(C(=O)C=C([O-])C1=CC=C(O)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919313	0	41	-2.0	-100.91	354.05	1.95	-98.96
CN(C(=O)C1=CC=CC(=O)N1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919351	0	36	-2.0	-113.11	323.46	1.99	-111.12
CN(C(=O)C1=CC=C(C#N)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919399	0	36	-2.0	-88.90	333.48	-0.88	-89.78
CN(C(=O)COC1=NC(=O)[N-]C(=O)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919400	0	38	-2.0	-92.52	343.69	-6.29	-98.81
CN(C(=O)COC1=NC(=O)NC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919400	1	38	-2.0	-87.18	343.63	-6.25	-93.43
CN(C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919432	0	38	-2.0	-88.57	337.19	2.99	-85.58
CN(C(=O)C1=NN(C)C(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919481	0	35	-2.0	-92.40	311.10	-2.09	-94.49
CN(C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919528	0	38	-2.0	-88.46	337.34	-0.70	-89.16
CN(C(=O)C1=C(F)C=CC(O)=C1O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919574	0	37	-2.0	-94.81	334.44	-1.05	-95.86
CN(C(=O)C1=C(F)C=CC(O)=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919574	1	37	-2.0	-94.81	334.44	-1.05	-95.86
CN(C(=O)C1=CC(C#N)=CC=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919588	0	37	-2.0	-91.98	332.39	2.66	-89.32
CN(C(=O)C1=CN([O-])C(=O)NC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919748	0	36	-2.0	-92.80	324.55	-0.43	-93.23
CN(C(=O)C1=CC(Cl)=C(F)C=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919792	0	36	-2.0	-90.96	333.96	2.87	-88.09
CN(C(=O)C1=CC=C(F)C([O-])=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919830	1	36	-2.0	-98.79	315.82	1.51	-97.28
CN(C(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919839	1	41	-2.0	-107.70	352.43	2.77	-104.93
CN(C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919842	0	38	-2.0	-91.77	336.04	3.65	-88.12
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919846	0	38	-2.0	-89.29	339.71	2.90	-86.39
CN(C(=O)C1=CC=C(Cl)C=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919860	1	36	-2.0	-95.50	324.59	3.50	-92.00
CN(C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028919892	0	38	-2.0	-83.64	338.09	1.20	-82.44
CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920001	0	34	-2.0	-88.33	306.89	-2.93	-91.26
CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920001	1	34	-2.0	-88.33	306.89	-2.93	-91.26
CN(C(=O)C1=CC=C2N=NN([O-])C2=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920051	0	38	-2.0	-97.12	333.85	0.52	-96.60
CN(C(=O)C1=C(O)C2=CC=CC=C2C=N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920099	0	41	-2.0	-104.58	350.94	3.81	-100.77
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920099	1	41	-2.0	-104.58	350.94	3.81	-100.77
CN(C(=O)C1=C(Cl)C(=O)[N-]S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920100	0	32	-2.0	-88.67	309.44	-1.60	-90.27
CN(C(=O)C1=CN=C(N)NC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920128	0	36	-2.0	-96.23	320.53	-1.27	-97.50
CN(C(=O)C1=CN=C(N)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920128	1	36	-2.0	-96.23	320.53	-1.27	-97.50
CC1=C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300028920171	0	39	-2.0	-88.38	352.30	-0.44	-88.82
CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920271	0	36	-2.0	-88.06	332.08	1.19	-86.87
CN(C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920280	0	37	-2.0	-86.86	338.82	0.29	-86.57
CN(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920280	1	37	-2.0	-86.86	338.82	0.29	-86.57
CN(C(=O)C1=CC=C2N[N-]N=C2C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920290	0	38	-2.0	-87.88	334.75	-0.74	-88.62
CN(C(=O)C1=NC=CC(Cl)=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920303	0	35	-2.0	-96.13	321.95	2.00	-94.13
CN(C(=O)CC1=CC=C(O)C(Cl)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920310	0	39	-2.0	-100.37	354.40	2.19	-98.18
CN(C(=O)CC1=CC=C([O-])C(Cl)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920310	1	39	-2.0	-100.37	354.40	2.19	-98.18
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920379	0	32	-2.0	-93.95	288.10	-1.31	-95.26
CC1SC(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300028920429	0	35	-2.0	-90.75	320.98	-1.54	-92.29
CC1=C([O-])N=C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300028920429	1	35	-2.0	-90.75	320.98	-1.54	-92.29
CN(C(=O)C1=C(O)C=CC2=CC=CC=C21)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920490	0	42	-2.0	-99.00	362.65	3.04	-95.96
CN(C(=O)C1=C([O-])C=CC2=CC=CC=C21)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920490	1	42	-2.0	-99.00	362.65	3.04	-95.96
CN(C(=O)C1=C(O)C2=CC=CC=C2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920509	0	42	-2.0	-102.22	356.60	4.63	-97.59
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920509	1	42	-2.0	-102.22	356.60	4.63	-97.59
CN(C(=O)C1=CC2=CC=CC=C2C=C1O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920518	0	42	-2.0	-105.81	358.13	3.67	-102.14
CN(C(=O)C1=CC2=CC=CC=C2C=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920518	1	42	-2.0	-105.81	358.13	3.67	-102.14
CN(C(=O)C(=O)C1=CC=C(O)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920574	0	38	-2.0	-87.99	340.32	0.75	-87.24
CN(C(=O)C(=O)C1=CC=C([O-])C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920574	1	38	-2.0	-87.99	340.32	0.75	-87.24
CN(C(=O)C1=CN=C(C=N[O-])S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920614	0	35	-2.0	-100.46	326.70	-0.54	-101.00
CN(C(=O)C1=CC(=O)C=C(Cl)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920652	0	35	-2.0	-82.41	323.77	1.33	-81.08
CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920652	1	35	-2.0	-82.41	323.77	1.33	-81.08
CSC1=NC=C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300028920683	0	38	-2.0	-96.75	348.47	-0.11	-96.86
CSC1=NC=C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028920683	1	38	-2.0	-96.75	348.47	-0.11	-96.86
CN(C(=O)C1=CC(=O)NC([O-])=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920693	0	36	-2.0	-85.52	316.27	-3.80	-89.32
CCN1[N-]C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028920790	0	39	-2.0	-89.28	338.75	0.34	-88.94
CN(C(=O)CNC(=O)C1=NC=CC=C1O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920801	0	42	-2.0	-99.98	367.81	-0.57	-100.55
CN(C(=O)CNC(=O)C1=NC=CC=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920801	1	42	-2.0	-99.98	367.81	-0.57	-100.55
CN(C(=O)C1=CC(=O)N(C)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920814	0	36	-2.0	-88.46	317.03	-0.60	-89.06
CN(C(=O)C1=CC=CC2=C1C(=O)NC2=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920828	0	39	-2.0	-99.06	338.93	-0.01	-99.07
CN(C(=O)C1=CC=CC2=C1C(=O)[N-]C2=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920828	1	39	-2.0	-99.06	338.93	-0.01	-99.07
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920833	0	36	-2.0	-91.45	333.72	-2.69	-94.14
CC1=C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)NC(=O)N1	REAL300028920835	0	38	-2.0	-103.91	347.64	-0.39	-104.30
CC1=C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300028920835	1	38	-2.0	-103.91	347.64	-0.39	-104.30
CC1=C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)NC(C2CC2)=N1	REAL300028920845	0	44	-2.0	-95.43	376.82	0.67	-94.76
CC1=C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300028920845	1	44	-2.0	-95.43	376.82	0.67	-94.76
CN(C(=O)C1=C([O-])C=NC2=CC=CC=C21)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028920909	1	41	-2.0	-99.90	356.97	2.03	-97.87
CN(C(=O)CC1=CC(=O)N[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921036	1	36	-2.0	-92.95	317.09	-1.04	-93.99
CN(C(=O)C1=CC=C([O-])C(F)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921043	1	36	-2.0	-94.12	315.78	1.54	-92.58
CN(C(=O)C1=CC(F)=C([O-])C(F)=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921114	0	36	-2.0	-90.92	324.41	0.74	-90.18
CN(C(=O)C1=CC=NC(Cl)=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921120	0	35	-2.0	-96.10	323.03	-0.06	-96.16
CC1=C(CC(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300028921143	0	42	-2.0	-95.34	359.90	1.37	-93.97
CN(C(=O)CCC(=O)C1=CC=C([O-])C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921154	1	44	-2.0	-91.87	379.53	3.18	-88.69
CC1=CN=C(C(=O)N(C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300028921196	1	38	-2.0	-101.07	327.56	2.08	-98.99
CN(C(=O)C1=C(O)C=CC(Cl)=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921215	0	37	-2.0	-97.20	344.14	-1.40	-98.60
CN(C(=O)C1=CC([O-])=CS1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921240	0	33	-2.0	-97.16	300.37	0.28	-96.88
CN(C(=O)C1=CN([O-])C(=O)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921267	0	36	-2.0	-104.15	323.85	2.23	-101.92
CN(C(=O)C1=CC(F)=CC(Cl)=C1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028921275	0	36	-2.0	-91.05	330.30	3.58	-87.47
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300028921331	0	36	-2.0	-90.77	328.10	-1.21	-91.98
CN(C(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1	REAL300028921370	1	37	-2.0	-83.17	338.91	-0.56	-83.73
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300028922294	0	44	-2.0	-98.09	365.89	-2.98	-101.07
O=C(CN1C(=O)[N-]NC1=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028922355	0	46	-2.0	-100.04	379.79	-1.29	-101.33
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300028922783	0	46	-2.0	-110.62	376.97	3.15	-107.47
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300028922871	0	46	-2.0	-92.45	377.21	-1.73	-94.18
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300028922882	1	42	-2.0	-89.03	349.36	-1.91	-90.94
CCN1[N-]C(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028923006	0	49	-2.0	-94.10	398.74	1.73	-92.37
O=C(CC1=CC(=O)N[N-]1)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923013	1	46	-2.0	-102.90	374.78	-0.25	-103.15
CN1N=C(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300028923040	0	45	-2.0	-97.27	371.32	-0.69	-97.96
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300028923103	0	44	-2.0	-85.64	358.56	1.24	-84.40
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300028923174	0	43	-2.0	-90.43	354.19	-0.92	-91.35
C[PH](C)([O-])C(=O)C(=O)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923179	0	48	-2.0	-94.05	387.44	0.41	-93.64
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300028923204	0	46	-2.0	-103.98	374.72	3.32	-100.66
CC1SC(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300028923225	0	45	-2.0	-94.77	380.61	-0.77	-95.54
CC1=C([O-])N=C(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)S1	REAL300028923225	1	45	-2.0	-94.77	380.61	-0.77	-95.54
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300028923243	0	46	-2.0	-110.95	377.35	3.14	-107.81
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300028923268	0	46	-2.0	-126.66	374.21	4.17	-122.49
O=C(CC1=NC([O-])=CS1)NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300028923387	0	45	-2.0	-111.34	380.68	-1.00	-112.34
CC1=CC(=O)C(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300028923557	0	47	-2.0	-97.54	383.21	2.90	-94.64
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300028923568	0	42	-2.0	-93.13	349.10	-2.21	-95.34
CN1[N-]C(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028923769	0	46	-2.0	-93.28	377.01	0.80	-92.48
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300028923875	0	44	-2.0	-95.45	367.39	-3.97	-99.42
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300028923875	1	44	-2.0	-86.73	367.96	-3.21	-89.94
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300028924230	1	45	-2.0	-104.23	365.81	3.15	-101.08
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300028924333	0	44	-2.0	-96.55	365.46	-2.63	-99.18
O=C(CN1C(=O)[N-]NC1=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028924441	0	46	-2.0	-96.67	383.48	-1.22	-97.89
N#CC1=CC([O-])=CC(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028925377	1	47	-2.0	-87.46	390.94	2.65	-84.81
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300028925447	1	42	-2.0	-93.63	349.22	-0.70	-94.33
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300028925520	1	46	-2.0	-93.28	376.16	2.37	-90.91
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300028925525	0	45	-2.0	-90.21	374.17	1.85	-88.36
N#CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C=C1[O-]	REAL300028925528	1	47	-2.0	-90.06	390.25	2.70	-87.36
CC1=CC=C([O-])C(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028925587	1	48	-2.0	-105.10	387.89	3.71	-101.39
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300028925599	0	44	-2.0	-90.27	367.96	1.03	-89.24
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300028925606	0	46	-2.0	-106.13	374.52	3.64	-102.49
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300028925678	1	46	-2.0	-103.02	374.79	2.34	-100.68
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300028925753	0	43	-2.0	-91.11	353.92	-0.56	-91.67
C[PH](C)([O-])C(=O)C(=O)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028925759	0	48	-2.0	-90.97	387.87	0.50	-90.47
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300028925818	0	46	-2.0	-101.00	384.42	3.14	-97.86
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300028925835	0	42	-2.0	-89.98	348.71	-1.28	-91.26
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300028925840	0	46	-2.0	-119.37	384.13	3.12	-116.25
NC1=CC(=O)[N-]C(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300028925927	0	46	-2.0	-100.62	378.29	-0.90	-101.52
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300028925960	1	46	-2.0	-101.93	374.06	3.84	-98.09
CC1=CC=NC(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)=C1[O-]	REAL300028926007	1	48	-2.0	-104.15	386.62	3.79	-100.36
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300028926075	1	45	-2.0	-95.47	365.23	0.51	-94.96
O=C(CC1=NC([O-])=CS1)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926177	0	45	-2.0	-109.76	384.43	-0.84	-110.60
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=C([O-])C=CC=C1F)C1=CC(=O)[N-]O1	REAL300028926190	0	46	-2.0	-104.36	384.42	2.71	-101.65
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300028926191	0	46	-2.0	-103.53	375.92	3.55	-99.98
CC1=CC(=O)C(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300028926300	0	47	-2.0	-96.60	382.70	3.23	-93.37
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300028926318	0	46	-2.0	-112.51	384.03	2.95	-109.56
N#CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300028926338	0	46	-2.0	-93.25	394.00	0.86	-92.39
CN1N=C(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300028926368	0	45	-2.0	-98.36	371.53	-0.39	-98.75
N#CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300028926403	0	47	-2.0	-101.00	390.34	3.89	-97.11
N#CC1=CC=C([O-])C(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300028926409	0	47	-2.0	-97.42	390.21	3.91	-93.51
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300028926507	1	46	-2.0	-94.38	376.65	2.33	-92.05
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300028926565	0	44	-2.0	-86.55	367.60	-2.24	-88.79
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300028926565	1	44	-2.0	-86.55	367.60	-2.24	-88.79
NC1=NC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300028926605	0	46	-2.0	-98.65	382.74	-0.30	-98.95
NC1=NC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300028926605	1	46	-2.0	-98.65	382.74	-0.30	-98.95
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300028926702	0	42	-2.0	-97.04	349.08	-0.44	-97.48
CC1SC(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300028926719	0	45	-2.0	-100.91	381.20	0.07	-100.84
CC1=C([O-])N=C(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300028926719	1	45	-2.0	-100.91	381.20	0.07	-100.84
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)C1=CC=C(O)C=C1)C1=CC(=O)[N-]O1	REAL300028926798	0	48	-2.0	-91.98	391.76	2.60	-89.38
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)C1=CC=C([O-])C=C1)C1=CC(=O)[N-]O1	REAL300028926798	1	48	-2.0	-91.98	391.76	2.60	-89.38
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300028926836	0	46	-2.0	-92.05	375.32	-2.12	-94.17
CCN1[N-]C(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300028926881	0	49	-2.0	-94.90	398.36	2.08	-92.82
CN1[N-]C(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300028926897	0	46	-2.0	-94.07	376.64	1.15	-92.92
O=C(CC1=CC(=O)N[N-]1)N1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300028926987	1	46	-2.0	-97.86	378.38	-0.14	-98.00
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300028926991	1	46	-2.0	-93.37	376.60	2.36	-91.01
CC1=CN=C(C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300028927060	1	48	-2.0	-108.19	387.35	3.78	-104.41
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300028927073	0	43	-2.0	-102.37	361.26	1.19	-101.18
O=C(NC[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300028927086	0	46	-2.0	-100.23	384.17	3.12	-97.11
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)C1=C(CCN2C(=O)C2=CC(=O)N[N-]2)NC=N1	REAL300028927441	0	44	-2.0	-97.70	358.56	-0.35	-98.05
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)C1=C(CCN2C(=O)C2=CC(=O)N[N-]2)N=CN1	REAL300028927441	1	44	-2.0	-106.87	360.39	1.20	-105.67
O=C(C1=CC(=O)N[N-]1)N1CCC2(C1)C1=C(CCN2C(=O)C2=CC(=O)[N-]O2)NC=N1	REAL300028927793	0	44	-2.0	-99.14	358.83	-0.35	-99.49
O=C(C1=CC(=O)N[N-]1)N1CCC2(C1)C1=C(CCN2C(=O)C2=CC(=O)[N-]O2)N=CN1	REAL300028927793	1	44	-2.0	-99.59	361.19	0.04	-99.55
CC(CNC(=O)C1=CN=C(C2CC2)[N-]C1=O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028928696	1	46	-2.0	-92.83	384.52	0.93	-91.90
CC(CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929002	0	46	-2.0	-84.14	390.78	-0.82	-84.96
CC(CNC(=O)CCCN1C(=O)[N-]NC1=O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929552	0	47	-2.0	-93.03	396.86	-1.47	-94.50
CC(C)CN1[N-]C(CC(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028929748	0	53	-2.0	-99.91	433.49	2.61	-97.30
CC(CNC(=O)CCC1=NNC(=O)[N-]C1=O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028929842	0	45	-2.0	-91.78	384.42	-4.19	-95.97
CC(=O)[N-]C1=NC(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300028929843	1	43	-2.0	-87.09	378.65	-0.68	-87.77
CC(CNC(=O)CCN1C=C[N-]C(=O)C1=O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930057	1	46	-2.0	-99.87	390.16	-0.04	-99.91
COC1=C(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300028930202	1	44	-2.0	-93.32	373.41	-3.03	-96.35
CC(CNC(=O)C1=NNC(=O)[N-]C1=O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930353	0	39	-2.0	-91.81	339.97	-4.33	-96.14
CC(CNC(=O)CN1C(=O)[N-]NC1=O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930494	0	41	-2.0	-93.52	354.20	-2.66	-96.18
CC1=C(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C(C)C)=N1	REAL300028930537	1	51	-2.0	-94.10	411.64	1.33	-92.77
CC(CNC(=O)CN1[N-]C=C2C1=NC=NC2=O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028930674	0	45	-2.0	-96.21	387.88	0.22	-95.99
CC(CNC(=O)C1=CN([O-])C(=O)C=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931588	0	41	-2.0	-103.39	351.04	1.80	-101.59
CC(CNC(=O)C1=CC(=O)NC([O-])=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931795	0	41	-2.0	-87.26	350.54	-3.08	-90.34
CC(CNC(=O)C1=COC(=O)[N-]1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931811	1	37	-2.0	-89.56	323.58	-3.27	-92.83
CC(CNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028931874	1	49	-2.0	-90.76	400.75	1.39	-89.37
CCN1[N-]C(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028932095	0	44	-2.0	-92.10	373.07	0.39	-91.71
CC(CNC(=O)CC1=CC(=O)N[N-]1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932106	1	41	-2.0	-95.90	349.08	-1.64	-97.54
CC(CNC(=O)C1=CC=CC(=S)N1[O-])CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932133	0	41	-2.0	-119.92	359.72	3.86	-116.06
CC(CNC(=O)CC1SC(=O)[N-]C1=O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932152	0	41	-2.0	-88.40	362.31	-3.11	-91.51
CC(CNC(=O)C1=NN(C)C(=O)[N-]1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932172	0	40	-2.0	-93.98	345.73	-2.07	-96.05
CC1=C(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)NC(C2CC2)=N1	REAL300028932304	0	49	-2.0	-94.76	401.78	1.52	-93.24
CC1=C(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C2CC2)=N1	REAL300028932304	1	49	-2.0	-94.76	401.78	1.52	-93.24
CC(CNC(=O)C1=C[N-]N=CC1=O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932320	0	39	-2.0	-82.19	332.63	-0.11	-82.30
CC(CNC(=O)C1=CC=C2N=NN([O-])C2=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932364	0	43	-2.0	-100.16	367.60	0.31	-99.85
CC(CNC(=O)C1=CC(=O)N[N-]1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932491	0	38	-2.0	-88.82	328.52	-2.25	-91.07
CC(CNC(=O)C(=O)[PH](C)(C)[O-])CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932496	0	43	-2.0	-85.92	362.30	-0.72	-86.64
CC(CNC(=O)C1=CC=CN([O-])C1=O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932550	0	41	-2.0	-103.29	348.75	1.96	-101.33
CSC1=NC=C(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300028932576	0	43	-2.0	-90.32	375.15	-0.22	-90.54
CSC1=NC=C(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028932576	1	43	-2.0	-90.32	375.15	-0.22	-90.54
CC(CNC(=O)C1=NC(=O)C(C)S1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932604	0	40	-2.0	-97.56	355.07	-2.12	-99.68
CC1=C([O-])N=C(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)S1	REAL300028932604	1	40	-2.0	-97.56	355.07	-2.12	-99.68
CC(CNC(=O)C1=CC(=O)C=C(Cl)N1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932628	0	40	-2.0	-85.66	358.68	1.04	-84.62
CC(CNC(=O)C1=CC(=O)C=C(Cl)[N-]1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932628	1	40	-2.0	-85.66	358.68	1.04	-84.62
CC(CNC(=O)C1=CC(=O)N([O-])C=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932656	0	41	-2.0	-104.08	351.41	1.79	-102.29
CC(CNC(=O)C1=CC=CC(=O)N1[O-])CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932731	0	41	-2.0	-117.26	348.60	2.83	-114.43
CC(CNC(=O)C[N-]C(=O)C(F)(F)F)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932949	0	40	-2.0	-87.96	358.65	-2.37	-90.33
CC(CNC(=O)CC1=C([O-])N=C(N)S1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028932950	0	42	-2.0	-109.27	370.00	-3.21	-112.48
CC(CNC(=O)CC1=NC([O-])=CS1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933029	0	40	-2.0	-107.40	354.92	-2.36	-109.76
CCC1=NC=C(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028933061	1	45	-2.0	-91.06	373.69	0.27	-90.79
CC(CNC(=O)CN1N=CC(=O)[N-]C1=O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933075	0	42	-2.0	-98.41	364.42	-3.79	-102.20
CC(CNC(=O)C1=C(Cl)C(=O)[N-]S1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933175	0	37	-2.0	-88.64	345.97	-0.97	-89.61
COCC1=NC=C(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300028933315	0	46	-2.0	-91.78	386.62	-1.48	-93.26
COCC1=NC=C(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028933315	1	46	-2.0	-91.78	386.62	-1.48	-93.26
CC(CNC(=O)C1=CN=C(CC2CC2)NC1=O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933330	0	49	-2.0	-91.17	404.60	1.89	-89.28
CC(CNC(=O)C1=CN=C(CC2CC2)[N-]C1=O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933330	1	49	-2.0	-91.17	404.60	1.89	-89.28
CC1=CC(=O)C(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300028933438	0	42	-2.0	-92.99	357.25	1.55	-91.44
CC(CNC(=O)C1=NNC(=O)[N-]1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933461	0	37	-2.0	-91.16	322.90	-3.73	-94.89
CC(CNC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933491	0	42	-2.0	-88.18	365.59	0.74	-87.44
CC(CNC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933491	1	42	-2.0	-88.18	365.59	0.74	-87.44
CC(CNC(=O)C1=CN=C(C=N[O-])S1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933654	0	40	-2.0	-99.68	363.78	-0.69	-100.37
CC(CNC(=O)C1=CC(=O)N(C)[N-]1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933940	0	41	-2.0	-91.34	351.34	-0.54	-91.88
CC(CNC(=O)C1=CC=CC2=C1C(=O)[N-]C2=O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933950	1	44	-2.0	-104.09	374.05	-0.12	-104.21
CC(CNC(=O)CSC1=NNC(=O)[N-]1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028933954	0	41	-2.0	-92.19	365.51	-2.42	-94.61
CC1=C(C(=O)NCC(C)CN(C)C(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300028933955	1	43	-2.0	-99.71	378.85	-1.14	-100.85
CC(CNC(=O)C1=NC(=O)[N-]C(=O)N1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934221	0	39	-2.0	-92.11	341.53	-5.33	-97.44
CC(CNC(=O)C1=NC(=O)NC(=O)[N-]1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934221	1	39	-2.0	-85.60	342.18	-4.57	-90.17
CC(CNC(=O)COC1=NC(=O)[N-]C(=O)N1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934321	0	43	-2.0	-93.89	375.56	-6.11	-100.00
CC(CNC(=O)COC1=NC(=O)NC(=O)[N-]1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934321	1	43	-2.0	-88.00	375.36	-6.05	-94.05
CC(CNC(=O)CN1[N-]C(=O)C=CC1=O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028934500	0	43	-2.0	-94.03	370.19	-1.70	-95.73
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=NC=CC=C1[O-]	REAL300028934747	1	40	-2.0	-103.26	340.36	1.90	-101.36
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300028934877	1	46	-2.0	-95.23	392.16	0.06	-95.17
CC(=O)[N-]C1=NC(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300028934895	1	43	-2.0	-83.59	378.52	0.03	-83.56
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=NNC(=O)[N-]C1=O	REAL300028934936	0	39	-2.0	-93.99	339.39	-4.05	-98.04
COC1=C(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300028935006	1	44	-2.0	-91.17	382.24	-4.31	-95.48
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CN1C(=O)[N-]NC1=O	REAL300028935217	0	41	-2.0	-95.81	356.19	-2.59	-98.40
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300028935287	0	45	-2.0	-96.93	390.02	0.30	-96.63
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCCN1C(=O)[N-]NC1=O	REAL300028936484	0	47	-2.0	-95.56	399.23	-1.34	-96.90
CC(C)CN1[N-]C(CC(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028936695	0	53	-2.0	-101.80	435.89	2.75	-99.05
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300028936755	1	46	-2.0	-90.51	389.41	0.55	-89.96
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	REAL300028937008	0	46	-2.0	-80.11	386.89	0.11	-80.00
CC1=C(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C(C)C)=N1	REAL300028937563	1	51	-2.0	-99.04	422.80	0.86	-98.18
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300028937910	0	45	-2.0	-91.76	386.42	-4.08	-95.84
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300028937920	0	43	-2.0	-95.34	369.97	2.81	-92.53
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300028937939	1	41	-2.0	-96.23	361.82	2.38	-93.85
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300028937980	1	42	-2.0	-84.84	364.87	1.35	-83.49
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C(N)C(Cl)=C1[O-]	REAL300028938017	0	43	-2.0	-101.10	373.65	0.39	-100.71
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300028938089	0	43	-2.0	-111.12	372.48	3.41	-107.71
CCC1=NC=C(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028938128	1	45	-2.0	-88.94	378.58	-0.11	-89.05
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=COC(=O)[N-]1	REAL300028938158	1	37	-2.0	-86.32	323.58	-1.79	-88.11
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=CC([O-])=C1[N+](=O)[O-]	REAL300028938255	0	43	-2.0	-109.21	375.87	2.03	-107.18
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C[N-]C(=O)C(F)(F)F	REAL300028938275	0	40	-2.0	-88.69	361.16	-2.29	-90.98
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1=C([O-])N=C(N)S1	REAL300028938276	0	42	-2.0	-105.16	372.12	-3.09	-108.25
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C(F)C=C([O-])C=C1F	REAL300028938289	0	41	-2.0	-86.79	364.50	1.30	-85.49
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C([O-])C=C1F	REAL300028938322	1	41	-2.0	-94.00	348.67	1.06	-92.94
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC([O-])=C2SC=CC2=C1	REAL300028938333	1	44	-2.0	-92.30	380.93	2.34	-89.96
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC([O-])=CC(=O)O1	REAL300028938336	0	40	-2.0	-88.87	349.12	0.52	-88.35
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300028938351	1	42	-2.0	-86.17	363.42	1.44	-84.73
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300028938357	0	40	-2.0	-92.76	356.88	0.41	-92.35
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1	REAL300028938366	0	43	-2.0	-88.38	379.44	-1.68	-90.06
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300028938387	0	42	-2.0	-100.31	366.81	-3.71	-104.02
CC1=CC=C([O-])C(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300028938500	1	43	-2.0	-101.74	361.76	2.39	-99.35
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCC1=NNC(=O)[N-]1	REAL300028938504	0	43	-2.0	-91.33	366.54	-1.94	-93.27
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C[N-]N=CC1=O	REAL300028938533	0	39	-2.0	-87.01	342.54	-0.37	-87.38
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=CC(F)=C1[O-]	REAL300028938548	0	41	-2.0	-104.20	351.32	1.94	-102.26
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=CC([O-])=C1F	REAL300028938706	1	41	-2.0	-101.58	351.56	1.09	-100.49
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300028938804	0	43	-2.0	-88.39	372.19	2.77	-85.62
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(=O)N[N-]1	REAL300028938883	0	38	-2.0	-88.75	328.84	-1.86	-90.61
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(=O)[PH](C)(C)[O-]	REAL300028938891	0	43	-2.0	-86.02	361.47	-0.29	-86.31
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1=CC(=O)N(C)[N-]1	REAL300028938896	0	44	-2.0	-100.32	374.30	0.22	-100.10
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CN=C(CC2CC2)[N-]C1=O	REAL300028938950	1	49	-2.0	-89.10	409.67	1.49	-87.61
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(N)=C(F)C([O-])=C1F	REAL300028938965	0	43	-2.0	-108.96	368.82	-0.97	-109.93
COCC1=NC=C(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028938976	1	46	-2.0	-89.96	391.50	-1.86	-91.82
CC1=CC(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)=CC([N+](=O)[O-])=C1[O-]	REAL300028938986	0	46	-2.0	-89.21	392.16	3.54	-85.67
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(F)=CC(F)=C1[O-]	REAL300028939015	0	41	-2.0	-101.89	354.62	2.62	-99.27
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(=O)N([O-])C=C1	REAL300028939052	0	41	-2.0	-105.93	349.41	1.55	-104.38
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL300028939093	0	41	-2.0	-99.37	361.00	1.17	-98.20
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=NC(=O)N[N-]1	REAL300028939095	0	37	-2.0	-86.62	322.68	-2.54	-89.16
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C([O-])C=CC=C1Cl	REAL300028939100	1	41	-2.0	-95.03	367.57	1.66	-93.37
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=CN([O-])C1=O	REAL300028939110	0	41	-2.0	-100.81	353.90	1.61	-99.20
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C(F)C=CC([O-])=C1F	REAL300028939159	1	41	-2.0	-91.48	364.07	1.26	-90.22
CC1=NC2=NC=C(C(=O)N(C)CC(C)CNC(=O)C3=CC(=O)[N-]O3)C(=O)N2[N-]1	REAL300028939254	0	45	-2.0	-93.85	390.84	2.70	-91.15
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=NC(N)=CC(=O)[N-]1	REAL300028939304	0	41	-2.0	-98.71	352.67	-2.12	-100.83
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CN1C=C(C#N)C(=O)[N-]C1=O	REAL300028939320	0	44	-2.0	-107.13	391.56	-1.41	-108.54
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300028939397	0	41	-2.0	-88.29	359.24	1.59	-86.70
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(F)=CC=C1[O-]	REAL300028939406	1	41	-2.0	-95.69	351.51	1.94	-93.75
CC1=CC=NC(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300028939522	1	43	-2.0	-100.42	360.11	2.51	-97.91
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300028939591	0	41	-2.0	-100.13	367.44	2.48	-97.65
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CN=CC([O-])=C1	REAL300028939732	1	40	-2.0	-97.05	338.99	-0.90	-97.95
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=CC(=S)N1[O-]	REAL300028939748	0	41	-2.0	-111.48	368.47	2.17	-109.31
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300028939923	1	49	-2.0	-100.01	410.05	1.10	-98.91
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300028939942	1	43	-2.0	-88.52	372.68	-0.54	-89.06
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300028939947	0	40	-2.0	-83.91	359.09	0.72	-83.19
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N	REAL300028940025	0	45	-2.0	-92.09	383.79	0.93	-91.16
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C([O-])C=C1Cl	REAL300028940032	1	41	-2.0	-92.01	356.79	1.50	-90.51
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300028940035	0	44	-2.0	-94.77	378.88	0.19	-94.58
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1=NC([O-])=CS1	REAL300028940050	0	40	-2.0	-109.58	357.32	-2.21	-111.79
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C([O-])C=CC=C1F	REAL300028940078	1	41	-2.0	-96.14	358.08	1.29	-94.85
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300028940082	0	43	-2.0	-96.31	372.58	-1.61	-97.92
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C(F)C=C1[O-]	REAL300028940087	0	41	-2.0	-105.10	348.40	2.56	-102.54
CC1=CC=C(F)C([O-])=C1C(=O)N(C)CC(C)CNC(=O)C1=CC(=O)[N-]O1	REAL300028940147	0	44	-2.0	-101.65	376.92	1.87	-99.78
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1SC(=O)[N-]C1=O	REAL300028940261	0	41	-2.0	-86.74	364.31	-3.00	-89.74
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C([O-])C(F)=C1F	REAL300028940295	0	41	-2.0	-92.69	357.80	1.16	-91.53
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300028940299	1	42	-2.0	-82.17	372.91	-0.31	-82.48
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300028940306	0	41	-2.0	-98.83	361.12	2.42	-96.41
CC1=CC(=O)C(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300028940350	0	42	-2.0	-93.14	357.26	1.91	-91.23
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300028940355	0	46	-2.0	-106.84	388.66	1.48	-105.36
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=CC(=O)N1[O-]	REAL300028940394	0	41	-2.0	-108.70	357.36	1.54	-107.16
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300028940444	0	41	-2.0	-90.49	368.55	-0.54	-91.03
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300028940445	0	43	-2.0	-92.66	377.42	-6.03	-98.69
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300028940445	1	43	-2.0	-88.90	377.87	-5.91	-94.81
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300028940477	0	43	-2.0	-85.70	372.80	2.48	-83.22
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=NN(C)C(=O)[N-]1	REAL300028940527	0	40	-2.0	-96.22	346.38	-1.71	-97.93
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300028940574	0	43	-2.0	-89.66	371.25	-1.14	-90.80
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C(F)C=CC(O)=C1O	REAL300028940621	0	42	-2.0	-97.24	368.21	-0.63	-97.87
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C(F)C=CC(O)=C1[O-]	REAL300028940621	1	42	-2.0	-97.24	368.21	-0.63	-97.87
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300028940636	0	42	-2.0	-92.89	365.96	2.29	-90.60
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300028940799	0	41	-2.0	-90.58	358.88	-0.91	-91.49
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300028940843	0	41	-2.0	-92.67	367.64	2.46	-90.21
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C(F)C([O-])=C1	REAL300028940883	1	41	-2.0	-89.91	349.48	1.07	-88.84
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300028940893	1	46	-2.0	-109.76	386.03	2.38	-107.38
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300028940897	0	43	-2.0	-102.08	370.15	3.16	-98.92
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300028940901	0	43	-2.0	-89.06	373.26	2.54	-86.52
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300028940915	1	41	-2.0	-104.70	358.72	3.01	-101.69
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300028940947	0	43	-2.0	-84.85	372.19	1.63	-83.22
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300028941056	0	39	-2.0	-84.07	341.49	-3.42	-87.49
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300028941056	1	39	-2.0	-84.07	341.49	-3.42	-87.49
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300028941106	0	43	-2.0	-102.10	369.06	0.07	-102.03
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C(O)C2=CC=CC=C2C=N1	REAL300028941155	0	46	-2.0	-107.92	385.74	4.22	-103.70
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300028941155	1	46	-2.0	-107.92	385.74	4.22	-103.70
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300028941156	0	37	-2.0	-90.64	343.27	-1.22	-91.86
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CN=C(N)NC1=O	REAL300028941185	0	41	-2.0	-89.44	351.97	-1.74	-91.18
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CN=C(N)[N-]C1=O	REAL300028941185	1	41	-2.0	-89.44	351.97	-1.74	-91.18
CC1=C(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300028941228	0	44	-2.0	-83.09	378.62	1.00	-82.09
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300028941330	0	41	-2.0	-90.67	366.18	1.63	-89.04
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300028941339	0	42	-2.0	-87.19	365.34	0.49	-86.70
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300028941339	1	42	-2.0	-87.19	365.34	0.49	-86.70
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300028941349	0	43	-2.0	-86.53	368.71	-0.31	-86.84
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300028941362	0	40	-2.0	-99.21	356.71	2.39	-96.82
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1=CC=C(O)C(Cl)=C1	REAL300028941369	0	44	-2.0	-102.01	388.68	2.61	-99.40
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300028941369	1	44	-2.0	-102.01	388.68	2.61	-99.40
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028941443	0	37	-2.0	-92.17	323.15	-1.79	-93.96
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=NC(=O)C(C)S1	REAL300028941494	0	40	-2.0	-91.78	354.63	-1.09	-92.87
CC1=C([O-])N=C(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300028941494	1	40	-2.0	-91.78	354.63	-1.09	-92.87
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C(O)C=CC2=CC=CC=C21	REAL300028941556	0	47	-2.0	-102.35	396.28	3.44	-98.91
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C([O-])C=CC2=CC=CC=C21	REAL300028941556	1	47	-2.0	-102.35	396.28	3.44	-98.91
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C(O)C2=CC=CC=C2C=C1	REAL300028941575	0	47	-2.0	-106.96	386.44	4.77	-102.19
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300028941575	1	47	-2.0	-106.96	386.44	4.77	-102.19
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC2=CC=CC=C2C=C1O	REAL300028941584	0	47	-2.0	-111.71	387.60	4.70	-107.01
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300028941584	1	47	-2.0	-111.71	387.60	4.70	-107.01
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(=O)C1=CC=C(O)C=C1	REAL300028941643	0	43	-2.0	-88.74	373.77	1.09	-87.65
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300028941643	1	43	-2.0	-88.74	373.77	1.09	-87.65
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CN=C(C=N[O-])S1	REAL300028941683	0	40	-2.0	-102.07	360.92	-0.99	-103.06
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(=O)C=C(Cl)N1	REAL300028941721	0	40	-2.0	-84.38	357.76	1.76	-82.62
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300028941721	1	40	-2.0	-84.38	357.76	1.76	-82.62
CSC1=NC=C(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300028941752	0	43	-2.0	-89.46	379.90	-0.58	-90.04
CSC1=NC=C(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300028941752	1	43	-2.0	-89.46	379.90	-0.58	-90.04
CCN1[N-]C(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300028941860	0	44	-2.0	-91.31	372.50	0.79	-90.52
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CNC(=O)C1=NC=CC=C1[O-]	REAL300028941872	1	47	-2.0	-100.47	401.81	-0.25	-100.72
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(=O)N(C)[N-]1	REAL300028941886	0	41	-2.0	-91.65	351.68	-0.17	-91.82
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300028941900	1	44	-2.0	-112.79	373.04	-0.50	-113.29
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300028941905	0	41	-2.0	-91.74	367.50	-2.27	-94.01
CC1=C(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300028941907	1	43	-2.0	-105.89	380.77	-0.82	-106.71
CC1=C(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C2CC2)=N1	REAL300028941918	1	49	-2.0	-97.85	412.13	1.09	-96.76
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C([O-])C=NC2=CC=CC=C21	REAL300028941985	1	46	-2.0	-97.49	391.33	1.55	-95.94
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CC1=CC(=O)N[N-]1	REAL300028942113	1	41	-2.0	-97.93	351.47	-1.50	-99.43
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=C([O-])C(F)=C1	REAL300028942120	1	41	-2.0	-91.64	349.45	1.10	-90.54
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300028942194	0	41	-2.0	-93.48	356.38	1.15	-92.33
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300028942200	0	40	-2.0	-96.74	356.19	0.45	-96.29
CC1=C(CC(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300028942225	0	47	-2.0	-99.95	394.00	0.91	-99.04
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)CCC(=O)C1=CC=C([O-])C=C1	REAL300028942237	1	49	-2.0	-92.36	413.90	2.73	-89.63
CC1=CN=C(C(=O)N(C)CC(C)CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300028942281	1	43	-2.0	-104.91	362.22	2.54	-102.37
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=C(O)C=CC(Cl)=C1[O-]	REAL300028942300	0	42	-2.0	-96.35	378.44	-1.01	-97.36
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC([O-])=CS1	REAL300028942326	0	38	-2.0	-100.72	334.70	-0.13	-100.85
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CN([O-])C(=O)C=C1	REAL300028942354	0	41	-2.0	-102.20	359.30	1.77	-100.43
CC(CNC(=O)C1=CC(=O)[N-]O1)CN(C)C(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300028942362	0	41	-2.0	-97.54	364.42	3.10	-94.44
CC(CNC(=O)C1=CN([O-])C(=O)NC1=O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028942420	0	41	-2.0	-89.81	354.02	-0.54	-90.35
CC(CNC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)CN(C)C(=O)C1=CC(=O)[N-]O1	REAL300028942460	1	42	-2.0	-82.66	365.07	0.10	-82.56
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300028943800	0	43	-2.0	-98.45	354.72	-2.02	-100.47
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CN1C(=O)[N-]NC1=O	REAL300028943896	0	45	-2.0	-100.88	371.71	-0.54	-101.42
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300028944549	0	45	-2.0	-103.76	373.31	3.70	-100.06
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300028944671	0	45	-2.0	-85.72	365.14	-1.35	-87.07
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=COC(=O)[N-]1	REAL300028944682	1	41	-2.0	-88.69	338.79	0.02	-88.67
CCN1[N-]C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300028944860	0	48	-2.0	-89.81	388.27	2.69	-87.12
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1=CC(=O)N[N-]1	REAL300028944868	1	45	-2.0	-102.80	366.70	0.54	-102.26
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC=CC(=S)N1[O-]	REAL300028944887	0	45	-2.0	-108.97	383.58	4.15	-104.82
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1SC(=O)[N-]C1=O	REAL300028944897	0	45	-2.0	-92.25	379.82	-0.95	-93.20
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300028944913	0	44	-2.0	-94.11	361.18	0.19	-93.92
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=C[N-]N=CC1=O	REAL300028945005	0	43	-2.0	-85.41	356.60	1.55	-83.86
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC(=O)N[N-]1	REAL300028945115	0	42	-2.0	-99.22	343.05	0.05	-99.17
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300028945120	0	47	-2.0	-90.11	376.51	1.74	-88.37
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC=CN([O-])C1=O	REAL300028945154	0	45	-2.0	-106.73	372.84	3.65	-103.08
CC1SC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NC1=O	REAL300028945185	0	44	-2.0	-98.37	369.80	0.87	-97.50
CC1=C([O-])N=C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300028945185	1	44	-2.0	-98.37	369.80	0.87	-97.50
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC(=O)C=C(Cl)N1	REAL300028945199	0	44	-2.0	-87.87	373.07	3.74	-84.13
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300028945199	1	44	-2.0	-87.87	373.07	3.74	-84.13
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300028945218	0	45	-2.0	-118.60	365.88	3.43	-115.17
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300028945257	0	45	-2.0	-106.21	372.47	3.57	-102.64
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1=C([O-])N=C(N)S1	REAL300028945388	0	46	-2.0	-110.00	387.36	-1.05	-111.05
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CC1=NC([O-])=CS1	REAL300028945436	0	44	-2.0	-128.87	372.20	-0.32	-129.19
CCC1=NC=C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N1	REAL300028945454	0	49	-2.0	-87.99	394.08	1.89	-86.10
CCC1=NC=C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300028945454	1	49	-2.0	-87.99	394.08	1.89	-86.10
CC1=CC(=O)C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300028945684	0	46	-2.0	-91.04	372.32	3.81	-87.23
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NNC(=O)[N-]1	REAL300028945700	0	41	-2.0	-90.31	338.42	-1.45	-91.76
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CN=C(C=N[O-])S1	REAL300028945822	0	44	-2.0	-112.62	376.24	0.88	-111.74
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300028946001	0	45	-2.0	-89.05	366.54	1.77	-87.28
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CSC1=NNC(=O)[N-]1	REAL300028946008	0	45	-2.0	-95.38	383.02	-0.23	-95.61
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300028946175	0	43	-2.0	-90.87	356.59	-2.18	-93.05
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300028946175	1	43	-2.0	-87.37	357.05	-1.56	-88.93
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300028946334	0	47	-2.0	-93.51	388.02	0.44	-93.07
CN(CC1CCN(C(=O)C2=NC=CC=C2[O-])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028946587	1	44	-2.0	-111.35	355.74	3.86	-107.49
CN(CC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028946718	0	43	-2.0	-99.68	355.86	-2.09	-101.77
CN(CC1CCN(C(=O)CN2C(=O)[N-]NC2=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028946898	0	45	-2.0	-98.71	371.27	-0.48	-99.19
CN(CC1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948387	1	45	-2.0	-108.81	377.48	4.83	-103.98
CN(CC1CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948413	1	46	-2.0	-88.00	383.46	3.46	-84.54
CCC1=NC=C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300028948505	1	49	-2.0	-100.84	390.44	1.87	-98.97
CN(CC1CCN(C(=O)C2=COC(=O)[N-]2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948524	1	41	-2.0	-101.12	338.28	0.26	-100.86
CN(CC1CCN(C(=O)C[N-]C(=O)C(F)(F)F)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948595	0	44	-2.0	-95.37	376.66	-0.21	-95.58
CN(CC1CCN(C(=O)CC2=C([O-])N=C(N)S2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948596	0	46	-2.0	-114.74	386.92	-0.99	-115.73
CN(CC1CCN(C(=O)C2=C(F)C=C([O-])C=C2F)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948606	0	45	-2.0	-96.67	380.27	3.40	-93.27
CN(CC1CCN(C(=O)C2=CC=C([O-])C=C2F)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948622	1	45	-2.0	-97.34	367.41	3.15	-94.19
CN(CC1CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948628	0	44	-2.0	-100.28	366.51	2.60	-97.68
CN(CC1CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948636	1	46	-2.0	-89.87	382.50	3.50	-86.37
CN(CC1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948639	0	44	-2.0	-103.73	372.84	2.91	-100.82
CN(CC1CCN(C(=O)CN2N=CC(=O)[N-]C2=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948657	0	46	-2.0	-102.61	382.55	-1.63	-104.24
CC1=CC=C([O-])C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300028948722	1	47	-2.0	-112.18	377.35	4.43	-107.75
CN(CC1CCN(C(=O)C2=C[N-]N=CC2=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948743	0	43	-2.0	-92.88	349.04	1.53	-91.35
CN(CC1CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948754	0	45	-2.0	-118.73	366.96	4.39	-114.34
CN(CC1CCN(C(=O)C2=CC=CC([O-])=C2F)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948853	1	45	-2.0	-112.02	367.27	3.15	-108.87
CN(CC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948964	0	42	-2.0	-92.37	343.53	0.21	-92.16
CN(CC1CCN(C(=O)C(=O)[PH](C)(C)[O-])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028948970	0	47	-2.0	-94.87	377.11	1.10	-93.77
CN(CC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949068	0	45	-2.0	-109.31	368.54	3.63	-105.68
CN(CC1CCN(C(=O)C2=NC(=O)N[N-]2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949094	0	41	-2.0	-88.46	338.48	-0.41	-88.87
CN(CC1CCN(C(=O)C2=C(O)C=CC=C2Cl)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949097	0	45	-2.0	-108.43	383.22	3.77	-104.66
CN(CC1CCN(C(=O)C2=C([O-])C=CC=C2Cl)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949097	1	45	-2.0	-108.43	383.22	3.77	-104.66
CN(CC1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949102	0	45	-2.0	-115.85	365.95	3.55	-112.30
CN(CC1CCN(C(=O)C2=C(F)C=CC(O)=C2F)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949131	0	45	-2.0	-106.50	380.11	3.37	-103.13
CN(CC1CCN(C(=O)C2=C(F)C=CC([O-])=C2F)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949131	1	45	-2.0	-106.50	380.11	3.37	-103.13
CN(CC1CCN(C(=O)C2=CC(F)=CC=C2O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949280	0	45	-2.0	-107.88	367.17	4.39	-103.49
CN(CC1CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949280	1	45	-2.0	-107.88	367.17	4.39	-103.49
CC1=CC=NC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)=C1O	REAL300028949345	0	47	-2.0	-111.29	376.12	4.53	-106.76
CC1=CC=NC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)=C1[O-]	REAL300028949345	1	47	-2.0	-111.29	376.12	4.53	-106.76
CN(CC1CCN(C(=O)C2=CN=CC(O)=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949466	0	44	-2.0	-101.23	358.27	1.32	-99.91
CN(CC1CCN(C(=O)C2=CN=CC([O-])=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949466	1	44	-2.0	-101.23	358.27	1.32	-99.91
CN(CC1CCN(C(=O)C2=CC=CC(=S)N2[O-])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949476	0	45	-2.0	-135.71	377.49	5.33	-130.38
CN(CC1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949593	0	44	-2.0	-86.21	374.54	2.68	-83.53
CN(CC1CCN(C(=O)C2=CC=C(O)C=C2Cl)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949637	0	45	-2.0	-95.22	375.76	3.57	-91.65
CN(CC1CCN(C(=O)C2=CC=C([O-])C=C2Cl)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949637	1	45	-2.0	-95.22	375.76	3.57	-91.65
CN(CC1CCN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949639	0	48	-2.0	-102.93	393.21	2.65	-100.28
CN(CC1CCN(C(=O)CC2=NC([O-])=CS2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949649	0	44	-2.0	-109.46	373.05	-0.14	-109.60
CN(CC1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949666	0	47	-2.0	-98.68	387.37	0.50	-98.18
CN(CC1CCN(C(=O)CC2SC(=O)[N-]C2=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949775	0	45	-2.0	-91.13	380.59	-0.89	-92.02
CN(CC1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949800	0	45	-2.0	-99.43	373.79	3.23	-96.20
CN(CC1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949807	0	45	-2.0	-112.91	376.78	4.88	-108.03
CC1=CC(=O)C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300028949836	0	46	-2.0	-99.19	372.40	3.91	-95.28
CN(CC1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949862	0	45	-2.0	-132.20	366.36	4.39	-127.81
CN(CC1CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949892	0	45	-2.0	-95.88	375.27	1.37	-94.51
CN(CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949944	0	44	-2.0	-101.98	360.70	0.33	-101.65
CN(CC1CCN(C(=O)C2=C(F)C=CC(O)=C2O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949998	0	46	-2.0	-109.12	384.48	1.47	-107.65
CN(CC1CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028949998	1	46	-2.0	-109.12	384.48	1.47	-107.65
CN(CC1CCN(C(=O)C2=CC(C#N)=CC=C2[O-])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950007	0	46	-2.0	-104.46	381.60	4.75	-99.71
CN(CC1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950102	0	45	-2.0	-98.42	370.50	1.05	-97.37
CN(CC1CCN(C(=O)C2=CC=C(F)C(O)=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950158	0	45	-2.0	-93.50	368.55	3.12	-90.38
CN(CC1CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950158	1	45	-2.0	-93.50	368.55	3.12	-90.38
CN(CC1CCN(C(=O)C2=CC=C(Cl)C=C2O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950177	0	45	-2.0	-111.76	377.47	4.86	-106.90
CN(CC1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950177	1	45	-2.0	-111.76	377.47	4.86	-106.90
CN(CC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950249	0	43	-2.0	-89.22	356.83	-2.19	-91.41
CN(CC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950249	1	43	-2.0	-87.00	357.44	-1.47	-88.47
CN(CC1CCN(C(=O)C2=CN=C(N)[N-]C2=O)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950309	1	45	-2.0	-101.24	364.01	0.23	-101.01
CC1=C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)[N-]C(=O)C(C#N)=C1	REAL300028950331	0	48	-2.0	-104.87	402.08	2.04	-102.83
CN(CC1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950345	0	45	-2.0	-107.56	372.18	3.19	-104.37
COC1=NC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)=CC(=O)[N-]1	REAL300028950392	0	47	-2.0	-97.12	382.34	-1.24	-98.36
CN(CC1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950402	0	44	-2.0	-107.29	371.99	4.35	-102.94
CN(CC1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950440	0	45	-2.0	-90.33	378.35	3.60	-86.73
CN(CC1CCN(C(=O)C2=CC=NC=C2[O-])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950449	0	44	-2.0	-105.46	354.56	2.54	-102.92
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950455	0	41	-2.0	-95.19	338.46	0.26	-94.93
CC1=C([O-])N=C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300028950480	1	44	-2.0	-93.49	370.27	1.00	-92.49
CN(CC1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950576	1	47	-2.0	-95.11	380.30	3.22	-91.89
CN(CC1CCN(C(=O)C2=CN=C(C=N[O-])S2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950599	0	44	-2.0	-107.59	378.53	1.10	-106.49
CN(CC1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950623	1	44	-2.0	-84.93	375.53	3.69	-81.24
CN(CC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950647	0	45	-2.0	-96.87	367.21	-1.30	-98.17
CCN1[N-]C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300028950708	0	48	-2.0	-96.37	388.05	2.84	-93.53
CN(CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950729	0	45	-2.0	-95.51	366.32	1.90	-93.61
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950739	0	45	-2.0	-97.02	383.52	-0.17	-97.19
CN(CC1CCN(C(=O)CC2=CC(=O)N[N-]2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950876	1	45	-2.0	-98.71	366.26	0.61	-98.10
CN(CC1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950881	1	45	-2.0	-94.90	368.51	3.18	-91.72
CN(CC1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950929	0	45	-2.0	-102.78	375.77	3.28	-99.50
CN(CC1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028950934	0	44	-2.0	-109.15	372.13	2.93	-106.22
CC1=C(CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N(C)[N-]1	REAL300028950949	0	51	-2.0	-100.63	410.08	2.98	-97.65
CC1=CN=C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)CC2)C([O-])=C1	REAL300028950986	1	47	-2.0	-112.88	377.25	4.49	-108.39
CN(CC1CCN(C(=O)C2=CC([O-])=CS2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028951009	0	42	-2.0	-106.35	354.29	2.15	-104.20
CN(CC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1)C(=O)C1=CC(=O)[N-]O1	REAL300028951025	0	45	-2.0	-110.45	366.77	3.59	-106.86
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300028951055	0	45	-2.0	-99.21	371.07	0.87	-98.34
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O=C(C1=CC(=O)[N-]O1)N1CCCC(N2CCN(C(=O)C3=NC(=O)N[N-]3)CC2)C1	REAL300028952143	0	47	-2.0	-86.28	369.19	-2.22	-88.50
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028952300	0	47	-2.0	-93.75	371.93	-1.40	-95.15
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=NNC(=O)[N-]C1=O	REAL300028953266	0	44	-2.0	-93.72	368.51	-3.14	-96.86
O=C(CN1C(=O)[N-]NC1=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953327	0	46	-2.0	-94.17	378.45	-1.04	-95.21
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CN([O-])C(=O)C=C1	REAL300028953755	0	46	-2.0	-104.12	379.59	3.01	-101.11
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O=C([N-]C1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C(F)(F)C(F)(F)F	REAL300028953920	1	41	-2.0	-80.14	358.71	1.28	-78.86
CCN1[N-]C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=CC1=O	REAL300028953978	0	49	-2.0	-89.76	401.49	1.57	-88.19
O=C(CC1=CC(=O)N[N-]1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028953985	1	46	-2.0	-96.33	377.65	-0.44	-96.77
CN1N=C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)[N-]C1=O	REAL300028954012	0	45	-2.0	-92.98	374.27	-0.86	-93.84
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C[PH](C)([O-])C(=O)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954151	0	48	-2.0	-91.71	391.46	0.76	-90.95
O=C(CCC1=NC(=O)NN1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954173	0	48	-2.0	-97.23	392.87	-1.40	-98.63
O=C(CCC1=NC(=O)[N-]N1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954173	1	48	-2.0	-97.23	392.87	-1.40	-98.63
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC=CN([O-])C1=O	REAL300028954176	0	46	-2.0	-97.84	376.96	3.05	-94.79
CC1SC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=NC1=O	REAL300028954197	0	45	-2.0	-92.93	383.48	-0.94	-93.87
CC1=C([O-])N=C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)S1	REAL300028954197	1	45	-2.0	-92.93	383.48	-0.94	-93.87
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC(=O)N([O-])C=C1	REAL300028954215	0	46	-2.0	-110.19	376.33	3.54	-106.65
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC=CC(=O)N1[O-]	REAL300028954240	0	46	-2.0	-119.01	377.00	3.92	-115.09
O=C(CC1=NC([O-])=CS1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300028954359	0	45	-2.0	-107.48	383.49	-1.16	-108.64
CC1=CC(=O)C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=N[N-]1	REAL300028954529	0	47	-2.0	-92.14	385.67	2.72	-89.42
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=NC(=O)N[N-]1	REAL300028954540	0	42	-2.0	-86.42	351.54	-2.36	-88.78
CN1[N-]C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=CC1=O	REAL300028954741	0	46	-2.0	-89.01	379.73	0.63	-88.38
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=NC(=O)[N-]C(=O)N1	REAL300028954847	0	44	-2.0	-89.33	370.06	-4.11	-93.44
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=NC(=O)NC(=O)[N-]1	REAL300028954847	1	44	-2.0	-83.41	370.69	-3.37	-86.78
O=C(NC1CC2(C1)CCN(C(=O)C1=NC=CC=C1[O-])CC2)C1=CC(=O)[N-]O1	REAL300028955202	1	45	-2.0	-99.78	375.77	0.71	-99.07
O=C(NC1CC2(C1)CCN(C(=O)C1=NNC(=O)[N-]C1=O)CC2)C1=CC(=O)[N-]O1	REAL300028955305	0	44	-2.0	-92.11	368.53	-2.83	-94.94
O=C(CN1C(=O)[N-]NC1=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028955413	0	46	-2.0	-95.97	382.00	-0.71	-96.68
N#CC1=CC([O-])=CC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300028956349	1	47	-2.0	-85.05	390.69	3.23	-81.82
O=C(NC1CC2(C1)CCN(C(=O)C1=COC(=O)[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300028956419	1	42	-2.0	-86.09	347.67	-0.05	-86.14
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=C([O-])C=C1F)CC2)C1=CC(=O)[N-]O1	REAL300028956492	1	46	-2.0	-91.19	383.52	2.39	-88.80
O=C(NC1CC2(C1)CCN(C(=O)C1=CC([O-])=CC(=O)O1)CC2)C1=CC(=O)[N-]O1	REAL300028956497	0	45	-2.0	-87.39	379.16	1.78	-85.61
N#CC1=CC=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C=C1[O-]	REAL300028956500	1	47	-2.0	-86.80	396.49	2.72	-84.08
CC1=CC=C([O-])C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)=N1	REAL300028956559	1	48	-2.0	-108.66	389.52	3.61	-105.05
O=C(CCC1=NC(=O)[N-]N1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028956560	1	48	-2.0	-96.22	395.77	-1.20	-97.42
O=C(NC1CC2(C1)CCN(C(=O)C1=C[N-]N=CC1=O)CC2)C1=CC(=O)[N-]O1	REAL300028956571	0	44	-2.0	-91.78	366.74	1.49	-90.29
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=CC(F)=C1[O-])CC2)C1=CC(=O)[N-]O1	REAL300028956578	0	46	-2.0	-106.25	380.91	3.54	-102.71
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=CC([O-])=C1F)CC2)C1=CC(=O)[N-]O1	REAL300028956650	1	46	-2.0	-102.56	381.22	2.35	-100.21
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)N[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300028956725	0	43	-2.0	-86.18	356.74	-0.62	-86.80
C[PH](C)([O-])C(=O)C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028956731	0	48	-2.0	-89.69	386.72	0.88	-88.81
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)N([O-])C=C1)CC2)C1=CC(=O)[N-]O1	REAL300028956790	0	46	-2.0	-103.35	382.64	2.84	-100.51
O=C(NC1CC2(C1)CCN(C(=O)C1=NC(=O)N[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300028956807	0	42	-2.0	-86.61	351.18	-1.25	-87.86
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=CN([O-])C1=O)CC2)C1=CC(=O)[N-]O1	REAL300028956812	0	46	-2.0	-112.95	386.53	3.01	-109.94
NC1=CC(=O)[N-]C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)=N1	REAL300028956899	0	46	-2.0	-96.36	384.67	-1.87	-98.23
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(F)=CC=C1[O-])CC2)C1=CC(=O)[N-]O1	REAL300028956932	1	46	-2.0	-96.82	381.29	3.49	-93.33
CC1=CC=NC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1[O-]	REAL300028956979	1	48	-2.0	-108.51	388.37	3.85	-104.66
O=C(NC1CC2(C1)CCN(C(=O)C1=CN=CC([O-])=C1)CC2)C1=CC(=O)[N-]O1	REAL300028957047	1	45	-2.0	-92.68	371.28	0.43	-92.25
O=C(CC1=NC([O-])=CS1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957149	0	45	-2.0	-106.90	382.84	-0.34	-107.24
O=C(NC1CC2(C1)CCN(C(=O)C1=C([O-])C=CC=C1F)CC2)C1=CC(=O)[N-]O1	REAL300028957162	0	46	-2.0	-100.77	383.57	3.21	-97.56
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=C(F)C=C1[O-])CC2)C1=CC(=O)[N-]O1	REAL300028957163	0	46	-2.0	-99.04	383.27	2.66	-96.38
CC1=CC(=O)C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)=N[N-]1	REAL300028957272	0	47	-2.0	-90.46	385.65	3.04	-87.42
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=CC(=O)N1[O-])CC2)C1=CC(=O)[N-]O1	REAL300028957290	0	46	-2.0	-119.07	381.72	3.43	-115.64
N#CC1=CC=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C(=O)[N-]1	REAL300028957310	0	46	-2.0	-97.11	392.75	1.33	-95.78
CN1N=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)[N-]C1=O	REAL300028957340	0	45	-2.0	-93.03	374.05	-0.46	-93.49
N#CC1=CC=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C([O-])=C1	REAL300028957375	0	47	-2.0	-96.69	397.68	3.00	-93.69
N#CC1=CC=C([O-])C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300028957381	0	47	-2.0	-93.25	397.76	2.99	-90.26
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=C(F)C([O-])=C1)CC2)C1=CC(=O)[N-]O1	REAL300028957479	1	46	-2.0	-92.61	383.63	2.38	-90.23
O=C(NC1CC2(C1)CCN(C(=O)C1=NC(=O)[N-]C(=O)N1)CC2)C1=CC(=O)[N-]O1	REAL300028957537	0	44	-2.0	-82.31	370.68	-2.32	-84.63
O=C(NC1CC2(C1)CCN(C(=O)C1=NC(=O)NC(=O)[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300028957537	1	44	-2.0	-82.31	370.68	-2.32	-84.63
NC1=NC=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C(=O)N1	REAL300028957577	0	46	-2.0	-88.86	380.21	-0.53	-89.39
NC1=NC=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C(=O)[N-]1	REAL300028957577	1	46	-2.0	-88.86	380.21	-0.53	-89.39
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC(=O)[N-]O1	REAL300028957674	0	42	-2.0	-92.50	348.03	-0.05	-92.55
CC1SC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)=NC1=O	REAL300028957691	0	45	-2.0	-90.86	383.20	0.17	-90.69
CC1=C([O-])N=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)S1	REAL300028957691	1	45	-2.0	-90.86	383.20	0.17	-90.69
O=C(NC1CC2(C1)CCN(C(=O)C(=O)C1=CC=C(O)C=C1)CC2)C1=CC(=O)[N-]O1	REAL300028957770	0	48	-2.0	-89.10	403.28	2.33	-86.77
O=C(NC1CC2(C1)CCN(C(=O)C(=O)C1=CC=C([O-])C=C1)CC2)C1=CC(=O)[N-]O1	REAL300028957770	1	48	-2.0	-89.10	403.28	2.33	-86.77
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)NC([O-])=C1)CC2)C1=CC(=O)[N-]O1	REAL300028957808	0	46	-2.0	-87.74	383.84	-1.28	-89.02
CCN1[N-]C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC1=O	REAL300028957853	0	49	-2.0	-93.58	397.64	2.61	-90.97
CN1[N-]C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC1=O	REAL300028957869	0	46	-2.0	-88.85	379.55	1.09	-87.76
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300028957959	1	46	-2.0	-96.74	377.00	0.37	-96.37
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=C([O-])C(F)=C1)CC2)C1=CC(=O)[N-]O1	REAL300028957963	1	46	-2.0	-90.52	382.49	2.36	-88.16
CC1=CN=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)CC2)C([O-])=C1	REAL300028958032	1	48	-2.0	-101.44	390.45	3.65	-97.79
O=C(NC1CC2(C1)CCN(C(=O)C1=CC([O-])=CS1)CC2)C1=CC(=O)[N-]O1	REAL300028958045	0	43	-2.0	-97.12	366.41	1.21	-95.91
O=C(NC1CC2(C1)CCN(C(=O)C1=CN([O-])C(=O)C=C1)CC2)C1=CC(=O)[N-]O1	REAL300028958058	0	46	-2.0	-99.63	383.52	3.62	-96.01
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300028958617	1	44	-2.0	-101.63	353.13	1.29	-100.34
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028958924	0	44	-2.0	-75.82	358.99	2.31	-73.51
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959474	0	45	-2.0	-92.29	373.13	0.02	-92.27
CC(C)CN1[N-]C(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300028959671	0	51	-2.0	-116.49	404.94	3.43	-113.06
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959765	0	43	-2.0	-103.03	358.24	-3.06	-106.09
CC(=O)[N-]C1=NC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CS1	REAL300028959766	1	41	-2.0	-95.43	348.72	1.39	-94.04
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028959980	1	44	-2.0	-94.76	366.56	1.45	-93.31
COC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)NC(=O)[N-]C1=O	REAL300028960125	1	42	-2.0	-101.48	353.82	-3.34	-104.82
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1	REAL300028960276	0	37	-2.0	-106.95	309.64	-2.77	-109.72
O=C(CN1C(=O)[N-]NC1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028960418	0	39	-2.0	-91.56	330.60	-1.22	-92.78
CC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]C(C(C)C)=N1	REAL300028960461	1	49	-2.0	-134.61	392.61	2.13	-132.48
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1	REAL300028961513	0	39	-2.0	-114.93	317.55	2.42	-112.51
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1	REAL300028961720	0	39	-2.0	-115.17	330.67	-2.11	-117.28
O=C(C1=COC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028961736	1	35	-2.0	-97.21	293.49	-0.41	-97.62
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300028961799	1	47	-2.0	-99.69	368.38	1.76	-97.93
CCN1[N-]C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300028962020	0	42	-2.0	-107.19	343.30	1.93	-105.26
O=C(CC1=CC(=O)N[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962031	1	39	-2.0	-110.77	322.96	-0.49	-111.26
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CC(=S)N2[O-])CC1	REAL300028962058	0	39	-2.0	-130.11	328.13	4.08	-126.03
O=C(CC1SC(=O)[N-]C1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962077	0	39	-2.0	-97.18	336.12	-1.98	-99.16
CN1N=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300028962097	0	38	-2.0	-108.88	314.03	-0.60	-109.48
CC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)NC(C2CC2)=N1	REAL300028962229	0	47	-2.0	-100.69	370.83	1.80	-98.89
CC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]C(C2CC2)=N1	REAL300028962229	1	47	-2.0	-100.69	370.83	1.80	-98.89
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300028962245	0	37	-2.0	-91.87	299.86	0.35	-91.52
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)CC1	REAL300028962289	0	41	-2.0	-108.98	335.18	0.88	-108.10
O=C(C1=CC(=O)N[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962416	0	36	-2.0	-102.82	298.75	-0.70	-103.52
C[PH](C)([O-])C(=O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962421	0	41	-2.0	-84.72	331.57	0.59	-84.13
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CN([O-])C2=O)CC1	REAL300028962475	0	39	-2.0	-109.38	318.71	2.18	-107.20
CSC1=NC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N1	REAL300028962501	0	41	-2.0	-101.15	343.38	0.22	-100.93
CSC1=NC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300028962501	1	41	-2.0	-101.15	343.38	0.22	-100.93
CC1SC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NC1=O	REAL300028962529	0	38	-2.0	-104.61	323.45	0.39	-104.22
CC1=C([O-])N=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300028962529	1	38	-2.0	-104.61	323.45	0.39	-104.22
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(=O)C=C(Cl)N2)CC1	REAL300028962553	0	38	-2.0	-96.53	327.89	3.13	-93.40
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1	REAL300028962553	1	38	-2.0	-96.53	327.89	3.13	-93.40
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1	REAL300028962581	0	39	-2.0	-115.10	317.91	2.42	-112.68
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CC(=O)N2[O-])CC1	REAL300028962656	0	39	-2.0	-128.70	317.02	3.17	-125.53
O=C(C[N-]C(=O)C(F)(F)F)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962874	0	38	-2.0	-83.21	335.05	-0.93	-84.14
NC1=NC([O-])=C(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300028962875	0	40	-2.0	-103.88	346.22	-1.73	-105.61
O=C(CC1=NC([O-])=CS1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028962954	0	38	-2.0	-123.42	328.79	-1.20	-124.62
CCC1=NC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300028962986	1	43	-2.0	-100.24	342.05	0.70	-99.54
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963000	0	40	-2.0	-118.94	338.31	-2.70	-121.64
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C(Cl)C(=O)[N-]S2)CC1	REAL300028963100	0	35	-2.0	-103.47	310.88	-0.48	-103.95
COCC1=NC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N1	REAL300028963240	0	44	-2.0	-101.12	354.98	-1.06	-102.18
COCC1=NC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300028963240	1	44	-2.0	-101.12	354.98	-1.06	-102.18
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN=C(CC3CC3)NC2=O)CC1	REAL300028963255	0	47	-2.0	-99.95	372.80	2.30	-97.65
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)CC1	REAL300028963255	1	47	-2.0	-99.95	372.80	2.30	-97.65
CC1=CC(=O)C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300028963363	0	40	-2.0	-106.33	324.90	3.04	-103.29
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300028963386	0	35	-2.0	-100.15	291.28	-1.05	-101.20
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)CC1	REAL300028963416	0	40	-2.0	-98.97	331.38	1.37	-97.60
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CC1	REAL300028963416	1	40	-2.0	-98.97	331.38	1.37	-97.60
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN=C(C=N[O-])S2)CC1	REAL300028963579	0	38	-2.0	-112.27	328.14	-0.29	-112.56
CN1[N-]C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300028963865	0	39	-2.0	-106.06	321.49	1.00	-105.06
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)CC1	REAL300028963875	1	42	-2.0	-119.41	341.26	0.39	-119.02
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028963879	0	39	-2.0	-88.76	341.91	-0.89	-89.65
CC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=S)[N-]C(=O)N1	REAL300028963880	1	41	-2.0	-136.81	353.57	0.22	-136.59
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1	REAL300028964145	0	37	-2.0	-98.45	309.40	-2.71	-101.16
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1	REAL300028964145	1	37	-2.0	-83.90	312.62	-1.40	-85.30
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028964245	0	41	-2.0	-90.12	351.82	-4.58	-94.70
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028964245	1	41	-2.0	-84.41	351.71	-4.53	-88.94
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028964424	0	41	-2.0	-92.20	346.66	-0.23	-92.43
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300028964669	1	38	-2.0	-116.54	309.49	3.10	-113.44
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028964799	1	44	-2.0	-94.76	366.56	1.45	-93.31
CC(=O)[N-]C1=NC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CS1	REAL300028964817	1	41	-2.0	-95.43	348.72	1.39	-94.04
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1	REAL300028964858	0	37	-2.0	-106.95	309.64	-2.77	-109.72
COC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)NC(=O)[N-]C1=O	REAL300028964928	1	42	-2.0	-101.48	353.82	-3.34	-104.82
O=C(CN1C(=O)[N-]NC1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028965141	0	39	-2.0	-91.56	330.60	-1.22	-92.78
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028965211	0	43	-2.0	-109.27	361.51	1.31	-107.96
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966409	0	45	-2.0	-92.29	373.13	0.02	-92.27
CC(C)CN1[N-]C(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300028966620	0	51	-2.0	-116.49	404.94	3.43	-113.06
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1	REAL300028966680	1	44	-2.0	-101.63	353.13	1.29	-100.34
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028966934	0	44	-2.0	-75.82	358.99	2.31	-73.51
CC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]C(C(C)C)=N1	REAL300028967489	1	49	-2.0	-134.61	392.61	2.13	-132.48
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028967835	0	43	-2.0	-103.03	358.24	-3.06	-106.09
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)CC1	REAL300028967845	0	41	-2.0	-103.74	337.98	3.70	-100.04
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC1	REAL300028967864	1	39	-2.0	-110.61	327.54	3.67	-106.94
N#CC1=CC([O-])=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300028967905	1	40	-2.0	-97.06	333.40	2.23	-94.83
NC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C([O-])=C1Cl	REAL300028967942	0	41	-2.0	-129.44	349.29	0.70	-128.74
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])CC1	REAL300028968014	0	41	-2.0	-116.98	337.19	4.49	-112.49
CCC1=NC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300028968053	1	43	-2.0	-100.24	342.05	0.70	-99.54
O=C(C1=COC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968083	1	35	-2.0	-97.21	293.49	-0.41	-97.62
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])CC1	REAL300028968180	0	41	-2.0	-132.74	349.39	2.93	-129.81
O=C(C[N-]C(=O)C(F)(F)F)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968200	0	38	-2.0	-83.21	335.05	-0.93	-84.14
NC1=NC([O-])=C(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300028968201	0	40	-2.0	-103.88	346.22	-1.73	-105.61
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C(F)C=C([O-])C=C2F)CC1	REAL300028968214	0	39	-2.0	-114.47	336.33	2.35	-112.12
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C([O-])C=C2F)CC1	REAL300028968247	1	39	-2.0	-103.39	316.33	1.93	-101.46
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC([O-])=C3SC=CC3=C2)CC1	REAL300028968258	1	42	-2.0	-106.27	348.40	3.20	-103.07
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1	REAL300028968261	0	38	-2.0	-100.21	317.81	1.37	-98.84
N#CC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C=C1[O-]	REAL300028968276	1	40	-2.0	-98.84	332.20	2.30	-96.54
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(Cl)=NC=C2[O-])CC1	REAL300028968282	0	38	-2.0	-115.56	321.41	1.95	-113.61
N#CC1=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C(N)[N-]C1=O	REAL300028968291	0	41	-2.0	-102.61	350.27	-0.91	-103.52
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968312	0	40	-2.0	-118.94	338.31	-2.70	-121.64
CC1=CC=C([O-])C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300028968425	1	41	-2.0	-116.42	329.72	3.77	-112.65
O=C(CCC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968429	0	41	-2.0	-88.98	340.94	-0.56	-89.54
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300028968458	0	37	-2.0	-91.87	299.86	0.35	-91.52
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CC(F)=C2[O-])CC1	REAL300028968473	0	39	-2.0	-118.43	317.02	3.24	-115.19
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CC([O-])=C2F)CC1	REAL300028968631	1	39	-2.0	-113.55	317.31	1.93	-111.62
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)CC1	REAL300028968729	0	41	-2.0	-100.94	337.63	3.66	-97.28
O=C(C1=CC(=O)N[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968808	0	36	-2.0	-102.82	298.75	-0.70	-103.52
C[PH](C)([O-])C(=O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968816	0	41	-2.0	-84.72	331.57	0.59	-84.13
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028968851	0	44	-2.0	-100.55	366.31	4.02	-96.53
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)CC1	REAL300028968875	1	47	-2.0	-99.95	372.80	2.30	-97.65
NC1=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C(F)C([O-])=C1F	REAL300028968890	0	41	-2.0	-117.11	337.00	-0.08	-117.19
COCC1=NC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300028968901	1	44	-2.0	-101.12	354.98	-1.06	-102.18
CC1=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC([N+](=O)[O-])=C1[O-]	REAL300028968911	0	44	-2.0	-103.27	358.54	4.39	-98.88
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(F)=CC(F)=C2[O-])CC1	REAL300028968940	0	39	-2.0	-112.23	322.75	3.49	-108.74
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1	REAL300028968977	0	39	-2.0	-115.10	317.91	2.42	-112.68
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)CC1	REAL300028969018	0	39	-2.0	-105.17	329.82	2.05	-103.12
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300028969020	0	35	-2.0	-100.15	291.28	-1.05	-101.20
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C([O-])C=CC=C2Cl)CC1	REAL300028969025	1	39	-2.0	-123.82	339.30	2.72	-121.10
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CN([O-])C2=O)CC1	REAL300028969035	0	39	-2.0	-109.38	318.71	2.18	-107.20
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C(F)C=CC([O-])=C2F)CC1	REAL300028969084	1	39	-2.0	-99.86	331.52	2.22	-97.64
CC1=NC2=NC=C(C(=O)N3CCCN(C(=O)C4=CC(=O)[N-]O4)CC3)C(=O)N2[N-]1	REAL300028969179	0	43	-2.0	-98.97	349.08	3.43	-95.54
NC1=CC(=O)[N-]C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300028969229	0	39	-2.0	-115.66	320.40	-0.86	-116.52
N#CC1=CN(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]C1=O	REAL300028969245	0	42	-2.0	-101.57	365.31	-0.03	-101.60
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1	REAL300028969322	0	39	-2.0	-100.01	328.00	2.46	-97.55
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300028969331	1	39	-2.0	-110.10	317.23	3.24	-106.86
CC1=CC=NC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1[O-]	REAL300028969447	1	41	-2.0	-122.19	330.91	3.97	-118.22
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])CC1	REAL300028969516	0	39	-2.0	-125.61	331.85	3.89	-121.72
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300028969657	1	38	-2.0	-120.37	312.33	0.09	-120.28
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CC(=S)N2[O-])CC1	REAL300028969673	0	39	-2.0	-130.11	328.13	4.08	-126.03
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC1	REAL300028969848	1	47	-2.0	-99.69	368.38	1.76	-97.93
NC1=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC([O-])=C1Cl	REAL300028969867	1	41	-2.0	-123.94	346.09	0.47	-123.47
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC1	REAL300028969872	0	38	-2.0	-95.52	326.40	2.05	-93.47
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969950	0	43	-2.0	-98.85	358.20	1.99	-96.86
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C([O-])C=C2Cl)CC1	REAL300028969957	1	39	-2.0	-100.49	325.82	2.37	-98.12
N#CC1=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C([O-])C=C1N	REAL300028969960	0	42	-2.0	-117.62	343.25	1.61	-116.01
O=C(CC1=NC([O-])=CS1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028969975	0	38	-2.0	-123.42	328.79	-1.20	-124.62
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C([O-])C=CC=C2F)CC1	REAL300028970003	0	39	-2.0	-108.30	329.81	2.34	-105.96
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028970007	0	41	-2.0	-92.20	346.66	-0.23	-92.43
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C(F)C=C2[O-])CC1	REAL300028970012	0	39	-2.0	-112.32	317.22	3.23	-109.09
CC1=CC=C(F)C([O-])=C1C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028970072	0	42	-2.0	-123.07	343.91	3.98	-119.09
O=C(CC1SC(=O)[N-]C1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028970185	0	39	-2.0	-97.18	336.12	-1.98	-99.16
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C([O-])C(F)=C2F)CC1	REAL300028970219	0	39	-2.0	-109.61	322.26	2.01	-107.60
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CC1	REAL300028970223	1	40	-2.0	-90.54	333.12	0.40	-90.14
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CC(Cl)=C2[O-])CC1	REAL300028970230	0	39	-2.0	-113.27	326.82	3.71	-109.56
CC1=CC(=O)C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300028970274	0	40	-2.0	-106.33	324.90	3.04	-103.29
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028970279	0	44	-2.0	-101.39	362.31	2.87	-98.52
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CC(=O)N2[O-])CC1	REAL300028970318	0	39	-2.0	-128.70	317.02	3.17	-125.53
N#CC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300028970368	0	39	-2.0	-92.47	328.16	0.12	-92.35
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028970369	0	41	-2.0	-90.12	351.82	-4.58	-94.70
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028970369	1	41	-2.0	-84.41	351.71	-4.53	-88.94
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])CC1	REAL300028970401	0	41	-2.0	-101.30	344.76	3.59	-97.71
CN1N=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300028970451	0	38	-2.0	-108.88	314.03	-0.60	-109.48
[N-]=[N+]=NC1=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC=C1[O-]	REAL300028970498	0	41	-2.0	-100.84	339.82	-0.28	-101.12
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C(F)C=CC(O)=C2O)CC1	REAL300028970545	0	40	-2.0	-115.28	335.16	1.29	-113.99
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC1	REAL300028970545	1	40	-2.0	-115.28	335.16	1.29	-113.99
N#CC1=CC=C([O-])C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300028970560	0	40	-2.0	-106.62	331.66	3.59	-103.03
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1	REAL300028970723	0	39	-2.0	-98.69	321.33	-0.20	-98.89
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])CC1	REAL300028970767	0	39	-2.0	-99.27	340.37	2.61	-96.66
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1	REAL300028970807	1	39	-2.0	-103.08	318.24	1.93	-101.15
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)CC1	REAL300028970817	1	44	-2.0	-125.14	351.88	3.63	-121.51
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])CC1	REAL300028970821	0	41	-2.0	-108.12	338.95	3.85	-104.27
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])CC1	REAL300028970825	0	41	-2.0	-103.01	338.99	3.86	-99.15
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C(Cl)C=C2[O-])CC1	REAL300028970839	1	39	-2.0	-112.30	327.52	3.70	-108.60
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)CC1	REAL300028970871	0	41	-2.0	-96.45	340.73	2.52	-93.93
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1	REAL300028970980	0	37	-2.0	-83.90	312.62	-1.40	-85.30
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1	REAL300028970980	1	37	-2.0	-83.90	312.62	-1.40	-85.30
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)CC1	REAL300028971030	0	41	-2.0	-108.98	335.18	0.88	-108.10
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C(O)C3=CC=CC=C3C=N2)CC1	REAL300028971079	0	44	-2.0	-120.96	353.28	5.55	-115.41
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC1	REAL300028971079	1	44	-2.0	-120.96	353.28	5.55	-115.41
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C(Cl)C(=O)[N-]S2)CC1	REAL300028971080	0	35	-2.0	-103.47	310.88	-0.48	-103.95
NC1=NC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N1	REAL300028971109	0	39	-2.0	-100.73	315.44	-0.95	-101.68
NC1=NC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300028971109	1	39	-2.0	-100.73	315.44	-0.95	-101.68
CC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)[N-]C(=O)C(C#N)=C1	REAL300028971152	0	42	-2.0	-129.95	358.32	1.13	-128.82
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC1	REAL300028971254	0	39	-2.0	-100.34	334.20	2.52	-97.82
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)CC1	REAL300028971263	0	40	-2.0	-98.97	331.38	1.37	-97.60
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CC1	REAL300028971263	1	40	-2.0	-98.97	331.38	1.37	-97.60
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C3N[N-]N=C3C2=O)CC1	REAL300028971273	0	41	-2.0	-96.30	331.52	0.44	-95.86
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NC=CC(Cl)=C2[O-])CC1	REAL300028971286	0	38	-2.0	-118.08	326.79	3.78	-114.30
O=C(CC1=CC=C(O)C(Cl)=C1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971293	0	42	-2.0	-97.99	362.55	3.98	-94.01
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971293	1	42	-2.0	-97.99	362.55	3.98	-94.01
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971367	0	35	-2.0	-89.81	294.35	-0.46	-90.27
CC1SC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NC1=O	REAL300028971418	0	38	-2.0	-104.61	323.45	0.39	-104.22
CC1=C([O-])N=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300028971418	1	38	-2.0	-104.61	323.45	0.39	-104.22
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C(O)C=CC3=CC=CC=C32)CC1	REAL300028971480	0	45	-2.0	-121.38	363.55	5.55	-115.83
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)CC1	REAL300028971480	1	45	-2.0	-121.38	363.55	5.55	-115.83
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C(O)C3=CC=CC=C3C=C2)CC1	REAL300028971499	0	45	-2.0	-133.63	365.76	4.54	-129.09
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)CC1	REAL300028971499	1	45	-2.0	-133.63	365.76	4.54	-129.09
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC3=CC=CC=C3C=C2O)CC1	REAL300028971508	0	45	-2.0	-109.59	363.89	4.31	-105.28
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])CC1	REAL300028971508	1	45	-2.0	-109.59	363.89	4.31	-105.28
O=C(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=C(O)C=C1	REAL300028971567	0	41	-2.0	-84.72	348.34	2.45	-82.27
O=C(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=C([O-])C=C1	REAL300028971567	1	41	-2.0	-84.72	348.34	2.45	-82.27
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN=C(C=N[O-])S2)CC1	REAL300028971607	0	38	-2.0	-112.27	328.14	-0.29	-112.56
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(=O)C=C(Cl)N2)CC1	REAL300028971645	0	38	-2.0	-96.53	327.89	3.13	-93.40
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1	REAL300028971645	1	38	-2.0	-96.53	327.89	3.13	-93.40
CSC1=NC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N1	REAL300028971676	0	41	-2.0	-101.15	343.38	0.22	-100.93
CSC1=NC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300028971676	1	41	-2.0	-101.15	343.38	0.22	-100.93
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1	REAL300028971686	0	39	-2.0	-115.17	330.67	-2.11	-117.28
CCN1[N-]C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300028971784	0	42	-2.0	-107.19	343.30	1.93	-105.26
O=C(CNC(=O)C1=NC=CC=C1O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971796	0	45	-2.0	-97.36	375.91	1.12	-96.24
O=C(CNC(=O)C1=NC=CC=C1[O-])N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971796	1	45	-2.0	-97.36	375.91	1.12	-96.24
CN1[N-]C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300028971810	0	39	-2.0	-106.06	321.49	1.00	-105.06
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CC3=C2C(=O)NC3=O)CC1	REAL300028971824	0	42	-2.0	-119.41	341.26	0.39	-119.02
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)CC1	REAL300028971824	1	42	-2.0	-119.41	341.26	0.39	-119.02
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028971829	0	39	-2.0	-88.76	341.91	-0.89	-89.65
CC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=S)NC(=O)N1	REAL300028971831	0	41	-2.0	-136.81	353.57	0.22	-136.59
CC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=S)[N-]C(=O)N1	REAL300028971831	1	41	-2.0	-136.81	353.57	0.22	-136.59
CC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)NC(C2CC2)=N1	REAL300028971842	0	47	-2.0	-100.69	370.83	1.80	-98.89
CC1=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]C(C2CC2)=N1	REAL300028971842	1	47	-2.0	-100.69	370.83	1.80	-98.89
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)CC1	REAL300028971909	1	44	-2.0	-116.54	358.30	3.63	-112.91
O=C(CC1=CC(=O)N[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300028972037	1	39	-2.0	-110.77	322.96	-0.49	-111.26
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300028972044	1	39	-2.0	-103.29	318.19	1.97	-101.32
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC1	REAL300028972118	0	39	-2.0	-105.18	323.73	2.03	-103.15
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=NC(Cl)=C2[O-])CC1	REAL300028972124	0	38	-2.0	-121.17	320.72	1.98	-119.19
CC1=C(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N(C)[N-]1	REAL300028972149	0	45	-2.0	-95.61	368.41	2.27	-93.34
O=C(CCC(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=C([O-])C=C1	REAL300028972161	1	47	-2.0	-90.82	387.99	4.09	-86.73
CC1=CN=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C([O-])=C1	REAL300028972205	1	41	-2.0	-117.14	329.54	3.85	-113.29
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])CC1	REAL300028972224	0	40	-2.0	-97.85	344.88	0.98	-96.87
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC([O-])=CS2)CC1	REAL300028972250	0	36	-2.0	-113.40	301.81	0.54	-112.86
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1	REAL300028972278	0	39	-2.0	-114.93	317.55	2.42	-112.51
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])CC1	REAL300028972286	0	39	-2.0	-108.27	332.55	3.96	-104.31
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1	REAL300028972344	0	39	-2.0	-98.69	321.33	-0.20	-98.89
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CC1	REAL300028972384	1	40	-2.0	-90.54	333.12	0.40	-90.14
CC1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028972870	1	41	-2.0	-97.72	356.87	-0.58	-98.30
CC1(NC(=O)CCCN2C(=O)[N-]NC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973577	0	42	-2.0	-98.17	368.62	-2.97	-101.14
CC(C)CN1[N-]C(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028973734	0	48	-2.0	-106.22	405.48	1.21	-105.01
CC1(NC(=O)CCC2=NNC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973809	0	40	-2.0	-95.29	356.31	-5.68	-100.97
CC(=O)[N-]C1=NC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300028973810	1	38	-2.0	-93.24	350.50	-2.18	-95.42
CC1(NC(=O)CCN2C=C[N-]C(=O)C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028973983	1	41	-2.0	-96.92	362.06	-1.55	-98.47
COC1=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300028974097	1	39	-2.0	-97.89	345.55	-4.62	-102.51
CC1(NC(=O)C2=NNC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974226	0	34	-2.0	-97.46	311.95	-5.84	-103.30
CC1(NC(=O)CN2C(=O)[N-]NC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974340	0	36	-2.0	-101.16	326.12	-4.16	-105.32
CC1(NC(=O)CN2[N-]C=C3C2=NC=NC3=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028974490	0	40	-2.0	-98.07	359.66	-1.27	-99.34
CC1(NC(=O)C2=CN([O-])C(=O)C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975234	0	36	-2.0	-107.78	323.02	0.40	-107.38
CC1(NC(=O)C2=CC(=O)NC([O-])=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975410	0	36	-2.0	-93.07	323.54	-4.60	-97.67
CC1(NC(=O)C2=COC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975425	1	32	-2.0	-96.02	295.55	-4.66	-100.68
CC1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975477	1	44	-2.0	-97.73	372.63	-0.02	-97.75
CCN1[N-]C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028975652	0	39	-2.0	-98.07	344.93	-1.11	-99.18
CC1(NC(=O)CC2=CC(=O)N[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975661	1	36	-2.0	-99.71	321.10	-3.11	-102.82
CC1(NC(=O)C2=CC=CC(=S)N2[O-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975684	0	36	-2.0	-123.36	331.57	2.26	-121.10
CC1(NC(=O)CC2SC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975700	0	36	-2.0	-95.07	334.18	-4.54	-99.61
CN1N=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300028975716	0	35	-2.0	-100.45	317.71	-3.48	-103.93
CC1(NC(=O)C2=C[N-]N=CC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975840	0	34	-2.0	-89.26	304.64	-1.59	-90.85
CC1(NC(=O)C2=CC=C3N=NN([O-])C3=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975879	0	38	-2.0	-104.12	339.58	-1.10	-105.22
CC1=C(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300028975893	0	42	-2.0	-98.06	363.88	-0.63	-98.69
CC1(NC(=O)C2=CC(=O)N[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975981	0	33	-2.0	-94.25	300.39	-3.67	-97.92
CC1(NC(=O)C(=O)[PH](C)(C)[O-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028975985	0	38	-2.0	-88.24	334.68	-2.18	-90.42
CN1[N-]C(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028975987	0	39	-2.0	-104.18	343.90	-1.32	-105.50
CC1(NC(=O)C2=CC=CN([O-])C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976028	0	36	-2.0	-109.89	320.88	0.55	-109.34
CSC1=NC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028976052	1	38	-2.0	-97.91	347.05	-1.72	-99.63
CC1=C([O-])N=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300028976074	1	35	-2.0	-102.97	327.16	-3.56	-106.53
CC1(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976094	1	35	-2.0	-90.79	330.53	-0.39	-91.18
CC1(NC(=O)C2=CC(=O)N([O-])C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976112	0	36	-2.0	-108.46	323.40	0.40	-108.06
CC1(NC(=O)C2=CC=CC(=O)N2[O-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976174	0	36	-2.0	-121.06	320.45	1.22	-119.84
CC1(NC(=O)C[N-]C(=O)C(F)(F)F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976357	0	35	-2.0	-93.18	330.54	-3.86	-97.04
CC1(NC(=O)CC2=C([O-])N=C(N)S2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976358	0	37	-2.0	-119.43	341.72	-4.61	-124.04
CC1(NC(=O)CC2=NC([O-])=CS2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976425	0	35	-2.0	-115.00	326.90	-3.84	-118.84
CCC1=NC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028976451	1	40	-2.0	-96.93	345.80	-1.24	-98.17
CC1(NC(=O)CN2N=CC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976464	0	37	-2.0	-107.38	336.42	-5.19	-112.57
CC1(NC(=O)C2=C(Cl)C(=O)[N-]S2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976548	0	32	-2.0	-94.51	317.98	-2.44	-96.95
COCC1=NC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300028976656	0	41	-2.0	-97.66	358.73	-3.00	-100.66
COCC1=NC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028976656	1	41	-2.0	-97.66	358.73	-3.00	-100.66
CC1(NC(=O)C2=CN=C(CC3CC3)NC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976669	0	44	-2.0	-97.16	376.73	0.36	-96.80
CC1(NC(=O)C2=CN=C(CC3CC3)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976669	1	44	-2.0	-97.16	376.73	0.36	-96.80
CC1=CC(=O)C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300028976766	0	37	-2.0	-98.23	329.14	0.04	-98.19
CC1(NC(=O)C2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976786	0	32	-2.0	-97.80	294.87	-5.21	-103.01
CC1(NC(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976803	0	37	-2.0	-93.02	337.56	-0.67	-93.69
CC1(NC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976803	1	37	-2.0	-93.02	337.56	-0.67	-93.69
CC1(NC(=O)C2=CN=C(C=N[O-])S2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028976937	0	35	-2.0	-103.44	335.79	-2.17	-105.61
COC1=NC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300028976955	0	38	-2.0	-98.04	341.11	-5.73	-103.77
CN1[N-]C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028977172	0	36	-2.0	-96.85	323.13	-1.96	-98.81
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977183	0	36	-2.0	-96.31	337.29	-3.85	-100.16
CC1(NC(=O)C2=NC(=O)[N-]C(=O)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977397	0	34	-2.0	-97.96	313.52	-6.74	-104.70
CC1(NC(=O)C2=NC(=O)NC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977397	1	34	-2.0	-92.32	314.21	-6.03	-98.35
CC1(NC(=O)COC2=NC(=O)[N-]C(=O)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977477	0	38	-2.0	-97.92	347.32	-7.71	-105.63
CC1(NC(=O)COC2=NC(=O)NC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977477	1	38	-2.0	-92.25	347.26	-7.65	-99.90
CC1(NC(=O)CN2[N-]C(=O)C=CC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028977625	0	38	-2.0	-101.49	342.22	-3.17	-104.66
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300028977830	1	35	-2.0	-104.33	311.80	0.07	-104.26
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1	REAL300028977952	1	41	-2.0	-96.08	364.29	-1.35	-97.43
CC(=O)[N-]C1=NC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300028977970	1	38	-2.0	-92.17	350.06	-1.84	-94.01
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300028978011	0	34	-2.0	-96.73	311.40	-5.58	-102.31
COC1=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300028978081	1	39	-2.0	-99.31	343.47	-4.38	-103.69
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300028978295	0	36	-2.0	-99.14	328.32	-3.97	-103.11
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2[N-]C=C3C2=NC=NC3=O)C1	REAL300028978365	0	40	-2.0	-98.45	361.65	-1.09	-99.54
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCN2C(=O)[N-]NC2=O)C1	REAL300028979558	0	42	-2.0	-94.81	370.53	-2.83	-97.64
CC(C)CN1[N-]C(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028979768	0	48	-2.0	-103.91	407.48	1.33	-102.58
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300028979828	1	41	-2.0	-109.52	364.66	-0.76	-110.28
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028980083	0	41	-2.0	-89.67	361.54	-1.54	-91.21
CC1=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C(C)C)=N1	REAL300028980634	1	46	-2.0	-111.22	393.54	-0.32	-111.54
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2=NNC(=O)[N-]C2=O)C1	REAL300028980979	0	40	-2.0	-93.63	358.54	-5.50	-99.13
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1	REAL300028980989	0	38	-2.0	-96.38	340.69	1.32	-95.06
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300028981008	1	36	-2.0	-103.45	332.97	1.48	-101.97
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300028981046	1	37	-2.0	-95.22	335.60	-0.12	-95.34
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C1	REAL300028981082	0	38	-2.0	-108.72	344.76	-0.53	-109.25
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1	REAL300028981152	0	38	-2.0	-112.00	342.25	2.32	-109.68
CCC1=NC=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028981191	1	40	-2.0	-107.25	353.83	-1.42	-108.67
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300028981221	1	32	-2.0	-96.04	295.28	-4.08	-100.12
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1	REAL300028981313	0	38	-2.0	-111.49	345.47	1.00	-110.49
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300028981332	0	35	-2.0	-92.65	332.77	-3.68	-96.33
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300028981333	0	37	-2.0	-116.60	343.97	-4.52	-121.12
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300028981346	0	36	-2.0	-92.68	335.90	-0.08	-92.76
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300028981379	1	36	-2.0	-97.40	322.85	-0.36	-97.76
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=C3SC=CC3=C2)C1	REAL300028981390	1	39	-2.0	-106.64	351.70	0.85	-105.79
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300028981393	0	35	-2.0	-94.92	320.13	-0.98	-95.90
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300028981408	1	37	-2.0	-98.73	334.89	-0.07	-98.80
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300028981414	0	35	-2.0	-97.78	324.70	-0.23	-98.01
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(N)[N-]C(=O)C(C#N)=C2)C1	REAL300028981423	0	38	-2.0	-97.10	350.92	-3.10	-100.20
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300028981444	0	37	-2.0	-104.34	338.45	-5.10	-109.44
CC1=CC=C([O-])C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300028981555	1	38	-2.0	-105.43	333.40	0.66	-104.77
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300028981588	0	34	-2.0	-94.83	302.96	-0.81	-95.64
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300028981602	0	36	-2.0	-111.59	322.44	1.05	-110.54
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300028981755	1	36	-2.0	-109.10	322.69	-0.37	-109.47
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1	REAL300028981849	0	38	-2.0	-100.10	340.71	1.23	-98.87
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300028981928	0	33	-2.0	-93.73	300.12	-3.52	-97.25
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300028981936	0	38	-2.0	-93.65	334.50	-2.13	-95.78
CN1[N-]C(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028981938	0	39	-2.0	-100.49	345.81	-1.28	-101.77
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(=O)C=C([O-])C2=CC=CC=N2)C1	REAL300028981968	0	41	-2.0	-111.38	367.95	1.19	-110.19
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)C1	REAL300028981992	1	44	-2.0	-107.44	384.75	0.18	-107.26
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(N)=C(F)C([O-])=C2F)C1	REAL300028982007	0	38	-2.0	-110.68	343.01	-2.41	-113.09
COCC1=NC=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028982018	1	41	-2.0	-107.15	366.76	-3.18	-110.33
CC1=CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300028982028	0	41	-2.0	-96.12	360.74	2.04	-94.08
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=CC(F)=C2[O-])C1	REAL300028982057	0	36	-2.0	-103.19	328.85	1.11	-102.08
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300028982094	0	36	-2.0	-108.09	320.70	0.07	-108.02
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C1	REAL300028982135	0	36	-2.0	-101.62	335.16	-0.26	-101.88
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300028982137	0	32	-2.0	-95.78	294.86	-4.53	-100.31
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300028982142	1	36	-2.0	-96.35	338.63	0.29	-96.06
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300028982152	0	36	-2.0	-126.83	329.05	0.37	-126.46
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300028982199	1	36	-2.0	-105.39	335.51	-0.11	-105.50
CC1=NC2=NC=C(C(=O)N3CC(C)(NC(=O)C4=CC(=O)[N-]O4)C3)C(=O)N2[N-]1	REAL300028982293	0	40	-2.0	-106.37	361.04	1.31	-105.06
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1	REAL300028982341	0	36	-2.0	-101.26	323.93	-3.96	-105.22
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C=C(C#N)C(=O)[N-]C2=O)C1	REAL300028982355	0	39	-2.0	-108.39	362.78	-2.87	-111.26
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300028982432	0	36	-2.0	-94.37	330.71	0.06	-94.31
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300028982441	1	36	-2.0	-102.76	322.66	1.03	-101.73
CC1=CC=NC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300028982553	1	38	-2.0	-104.43	332.11	0.76	-103.67
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1	REAL300028982622	0	36	-2.0	-107.39	338.59	1.55	-105.84
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300028982760	1	35	-2.0	-98.45	309.76	-2.32	-100.77
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300028982775	0	36	-2.0	-123.34	329.03	2.12	-121.22
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300028982946	1	44	-2.0	-105.84	370.40	0.78	-105.06
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C1	REAL300028982965	1	38	-2.0	-98.44	343.44	-2.03	-100.47
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300028982970	0	35	-2.0	-91.43	330.10	-1.13	-92.56
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2N)C1	REAL300028983047	0	40	-2.0	-98.06	354.87	-0.46	-98.52
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300028983054	1	36	-2.0	-96.24	331.41	0.09	-96.15
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1	REAL300028983057	0	39	-2.0	-101.53	349.97	-0.73	-102.26
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300028983072	0	35	-2.0	-111.57	328.94	-3.64	-115.21
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300028983100	0	36	-2.0	-108.29	329.14	-0.08	-108.37
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300028983104	0	38	-2.0	-97.63	344.20	-2.98	-100.61
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300028983109	0	36	-2.0	-105.71	322.64	1.03	-104.68
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300028983169	0	39	-2.0	-117.73	348.46	0.40	-117.33
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300028983280	0	36	-2.0	-88.62	336.48	-4.42	-93.04
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300028983313	0	36	-2.0	-99.35	328.93	-0.29	-99.64
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1	REAL300028983317	1	37	-2.0	-95.24	345.35	-1.66	-96.90
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300028983324	0	36	-2.0	-106.24	332.25	1.52	-104.72
CC1=CC(=O)C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300028983367	0	37	-2.0	-97.64	328.55	0.29	-97.35
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C1	REAL300028983372	0	41	-2.0	-106.95	360.75	0.09	-106.86
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300028983410	0	36	-2.0	-121.52	317.92	1.09	-120.43
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300028983458	0	36	-2.0	-103.46	338.76	-1.91	-105.37
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C1	REAL300028983459	0	38	-2.0	-97.05	349.54	-7.39	-104.44
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C1	REAL300028983459	1	38	-2.0	-91.40	349.48	-7.33	-98.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1	REAL300028983491	0	38	-2.0	-91.67	345.03	1.26	-90.41
CN1N=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300028983540	0	35	-2.0	-99.99	317.50	-3.31	-103.30
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C1	REAL300028983587	0	38	-2.0	-92.09	342.49	-2.64	-94.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300028983633	0	37	-2.0	-108.92	339.88	-2.01	-110.93
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300028983633	1	37	-2.0	-108.92	339.88	-2.01	-110.93
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300028983647	0	37	-2.0	-99.41	337.09	1.39	-98.02
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300028983807	0	36	-2.0	-97.74	334.16	-2.24	-99.98
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C1	REAL300028983851	0	36	-2.0	-99.77	338.77	1.55	-98.22
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300028983889	1	36	-2.0	-103.29	320.95	-0.44	-103.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1	REAL300028983898	1	41	-2.0	-118.25	357.09	1.46	-116.79
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1	REAL300028983901	0	38	-2.0	-102.52	344.39	1.63	-100.89
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1	REAL300028983905	0	38	-2.0	-95.72	344.41	1.63	-94.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300028983919	1	36	-2.0	-105.58	332.95	1.48	-104.10
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1	REAL300028983951	0	38	-2.0	-92.23	342.93	0.14	-92.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300028984060	0	34	-2.0	-91.88	313.52	-5.48	-97.36
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300028984060	1	34	-2.0	-91.88	313.52	-5.48	-97.36
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1	REAL300028984110	0	38	-2.0	-101.31	336.95	-1.45	-102.76
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(O)C3=CC=CC=C3C=N2)C1	REAL300028984158	0	41	-2.0	-109.74	357.00	2.41	-107.33
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300028984158	1	41	-2.0	-109.74	357.00	2.41	-107.33
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1	REAL300028984159	0	32	-2.0	-94.40	315.91	-2.52	-96.92
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(N)NC2=O)C1	REAL300028984187	0	36	-2.0	-107.54	327.20	-3.09	-110.63
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300028984187	1	36	-2.0	-107.54	327.20	-3.09	-110.63
CC1=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300028984230	0	39	-2.0	-94.10	349.47	-0.50	-94.60
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300028984330	0	36	-2.0	-94.39	336.92	0.14	-94.25
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C1	REAL300028984339	0	37	-2.0	-93.23	334.83	-1.01	-94.24
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1	REAL300028984339	1	37	-2.0	-93.23	334.83	-1.01	-94.24
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1	REAL300028984349	0	38	-2.0	-106.47	343.72	-1.67	-108.14
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300028984362	0	35	-2.0	-100.34	327.99	0.59	-99.75
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC=C(O)C(Cl)=C2)C1	REAL300028984369	0	39	-2.0	-98.43	360.31	1.19	-97.24
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C1	REAL300028984369	1	39	-2.0	-98.43	360.31	1.19	-97.24
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028984438	0	32	-2.0	-98.20	295.13	-3.20	-101.40
CC1SC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300028984488	0	35	-2.0	-103.48	326.77	-3.12	-106.60
CC1=C([O-])N=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300028984488	1	35	-2.0	-103.48	326.77	-3.12	-106.60
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(O)C=CC3=CC=CC=C32)C1	REAL300028984549	0	42	-2.0	-116.52	368.08	2.07	-114.45
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1	REAL300028984549	1	42	-2.0	-116.52	368.08	2.07	-114.45
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(O)C3=CC=CC=C3C=C2)C1	REAL300028984568	0	42	-2.0	-112.08	361.24	3.32	-108.76
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1	REAL300028984568	1	42	-2.0	-112.08	361.24	3.32	-108.76
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=CC=CC=C3C=C2O)C1	REAL300028984577	0	42	-2.0	-115.68	362.36	3.25	-112.43
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1	REAL300028984577	1	42	-2.0	-115.68	362.36	3.25	-112.43
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(=O)C2=CC=C(O)C=C2)C1	REAL300028984633	0	38	-2.0	-93.72	337.67	-0.26	-93.98
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300028984633	1	38	-2.0	-93.72	337.67	-0.26	-93.98
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300028984673	0	35	-2.0	-103.31	333.57	-2.27	-105.58
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)C=C(Cl)N2)C1	REAL300028984711	0	35	-2.0	-89.96	329.80	-0.11	-90.07
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300028984711	1	35	-2.0	-89.96	329.80	-0.11	-90.07
CSC1=NC=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300028984742	0	38	-2.0	-108.89	355.14	-1.92	-110.81
CSC1=NC=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300028984742	1	38	-2.0	-108.89	355.14	-1.92	-110.81
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300028984752	0	36	-2.0	-93.15	320.83	-4.83	-97.98
CCN1[N-]C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028984849	0	39	-2.0	-97.41	344.66	-0.96	-98.37
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CNC(=O)C2=NC=CC=C2[O-])C1	REAL300028984860	1	42	-2.0	-106.16	373.67	-1.63	-107.79
CN1[N-]C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300028984873	0	36	-2.0	-96.24	322.93	-1.81	-98.05
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1	REAL300028984887	1	39	-2.0	-111.56	347.92	-1.95	-113.51
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300028984892	0	36	-2.0	-95.12	339.63	-3.72	-98.84
CC1=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300028984894	1	38	-2.0	-118.18	351.93	-2.18	-120.36
CC1=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300028984904	1	44	-2.0	-111.82	383.73	-0.11	-111.93
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1	REAL300028984968	1	41	-2.0	-111.36	362.71	0.16	-111.20
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300028985095	1	36	-2.0	-99.07	323.09	-2.93	-102.00
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300028985102	1	36	-2.0	-98.11	320.92	-0.41	-98.52
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300028985173	0	36	-2.0	-97.56	327.12	-0.33	-97.89
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300028985179	0	35	-2.0	-100.97	324.01	-0.21	-101.18
CC1=C(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300028985202	0	42	-2.0	-97.64	365.87	-0.60	-98.24
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC(=O)C2=CC=C([O-])C=C2)C1	REAL300028985213	1	44	-2.0	-94.34	385.75	1.30	-93.04
CC1=CN=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300028985255	1	38	-2.0	-105.98	333.24	0.71	-105.27
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1	REAL300028985274	0	37	-2.0	-107.48	349.60	-2.38	-109.86
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300028985299	0	33	-2.0	-101.69	307.35	-1.40	-103.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300028985326	0	36	-2.0	-107.01	320.30	0.06	-106.95
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1	REAL300028985334	0	36	-2.0	-99.28	338.64	1.59	-97.69
CC1(NC(=O)C2=CN([O-])C(=O)NC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028985384	0	36	-2.0	-94.16	326.14	-1.97	-96.13
CC1(NC(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300028985416	1	37	-2.0	-88.07	337.21	-1.43	-89.50
CN(CC1=CC=C(CNC(=O)C2=CN([O-])C(=O)C=C2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986411	0	45	-2.0	-104.69	397.47	4.09	-100.60
CN(CC1=CC=C(CNC(=O)C2=CC(=O)NC([O-])=C2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986474	0	45	-2.0	-87.82	397.94	-0.80	-88.62
CN(CC1=CC=C(CNC(=O)C2=COC(=O)[N-]2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986482	1	41	-2.0	-89.33	370.01	-0.96	-90.29
CCN1[N-]C(C(=O)NCC2=CC=C(CN(C)C(=O)C3=CC(=O)[N-]O3)C=C2)=CC1=O	REAL300028986573	0	48	-2.0	-92.44	418.20	2.65	-89.79
CN(CC1=CC=C(CNC(=O)CC2=CC(=O)N[N-]2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986579	1	45	-2.0	-98.07	395.50	0.67	-97.40
CN(CC1=CC=C(CNC(=O)C2=NN(C)C(=O)[N-]2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986592	0	44	-2.0	-95.19	391.04	0.21	-94.98
CN(CC1=CC=C(CNC(=O)C2=C[N-]N=CC2=O)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986633	0	43	-2.0	-83.25	377.94	2.16	-81.09
CN(CC1=CC=C(CNC(=O)C2=CC(=O)N[N-]2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986680	0	42	-2.0	-88.86	373.71	-0.00	-88.86
CN(CC1=CC=C(CNC(=O)C(=O)[PH](C)(C)[O-])C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986684	0	47	-2.0	-91.92	408.52	1.53	-90.39
CN(CC1=CC=C(CNC(=O)C2=CC=CN([O-])C2=O)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986701	0	45	-2.0	-101.91	395.42	4.27	-97.64
CN(CC1=CC=C(CNC(=O)C2=CC(=O)N([O-])C=C2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986726	0	45	-2.0	-105.03	397.85	4.10	-100.93
CN(CC1=CC=C(CNC(=O)C2=CC=CC(=O)N2[O-])C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986746	0	45	-2.0	-119.96	393.73	5.08	-114.88
CC1=CC(=O)C(C(=O)NCC2=CC=C(CN(C)C(=O)C3=CC(=O)[N-]O3)C=C2)=N[N-]1	REAL300028986945	0	46	-2.0	-93.85	403.55	3.83	-90.02
CN(CC1=CC=C(CNC(=O)C2=NC(=O)N[N-]2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028986952	0	41	-2.0	-88.85	368.31	-1.29	-90.14
CN(CC1=CC=C(CNC(=O)C2=CC(=O)N(C)[N-]2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028987093	0	45	-2.0	-91.54	396.53	1.71	-89.83
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=NC=CC=C1O	REAL300028987488	0	44	-2.0	-102.45	386.57	4.17	-98.28
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=NC=CC=C1[O-]	REAL300028987488	1	44	-2.0	-102.45	386.57	4.17	-98.28
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=COC(=O)[N-]1	REAL300028988277	1	41	-2.0	-85.87	368.59	0.47	-85.40
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CC=C([O-])C=C1F	REAL300028988328	1	45	-2.0	-91.22	398.20	3.37	-87.85
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CC([O-])=CC(=O)O1	REAL300028988331	0	44	-2.0	-88.67	394.10	2.76	-85.91
CC1=CC=C([O-])C(C(=O)N(C)CC2=CC=C(CNC(=O)C3=CC(=O)[N-]O3)C=C2)=N1	REAL300028988371	1	47	-2.0	-102.87	407.24	4.71	-98.16
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=C[N-]N=CC1=O	REAL300028988379	0	43	-2.0	-86.65	387.22	1.90	-84.75
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CC=CC(F)=C1[O-]	REAL300028988386	0	45	-2.0	-105.30	397.75	4.13	-101.17
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CC=CC([O-])=C1F	REAL300028988433	1	45	-2.0	-102.13	397.99	3.34	-98.79
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CC(=O)N[N-]1	REAL300028988490	0	42	-2.0	-88.07	373.44	0.41	-87.66
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300028988494	0	47	-2.0	-92.39	408.60	1.57	-90.82
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300028988532	0	45	-2.0	-101.70	404.20	4.02	-97.68
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=NC(=O)N[N-]1	REAL300028988545	0	41	-2.0	-86.70	368.87	-0.29	-86.99
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CC=CN([O-])C1=O	REAL300028988548	0	45	-2.0	-109.14	403.46	4.01	-105.13
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CC(F)=CC=C1O	REAL300028988630	0	45	-2.0	-96.66	397.94	4.13	-92.53
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CC(F)=CC=C1[O-]	REAL300028988630	1	45	-2.0	-96.66	397.94	4.13	-92.53
CC1=CC=NC(C(=O)N(C)CC2=CC=C(CNC(=O)C3=CC(=O)[N-]O3)C=C2)=C1O	REAL300028988669	0	47	-2.0	-101.80	405.97	4.83	-96.97
CC1=CC=NC(C(=O)N(C)CC2=CC=C(CNC(=O)C3=CC(=O)[N-]O3)C=C2)=C1[O-]	REAL300028988669	1	47	-2.0	-101.80	405.97	4.83	-96.97
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CN=CC(O)=C1	REAL300028988717	0	44	-2.0	-96.27	386.40	1.41	-94.86
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CN=CC([O-])=C1	REAL300028988717	1	44	-2.0	-96.27	386.40	1.41	-94.86
CC1=CC(=O)C(C(=O)N(C)CC2=CC=C(CNC(=O)C3=CC(=O)[N-]O3)C=C2)=N[N-]1	REAL300028988863	0	46	-2.0	-92.44	402.37	4.16	-88.28
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300028988875	0	45	-2.0	-108.82	403.55	3.79	-105.03
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300028988908	0	44	-2.0	-95.37	390.91	0.58	-94.79
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CC=C(F)C([O-])=C1	REAL300028988997	1	45	-2.0	-99.63	397.94	3.33	-96.30
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CN=C(N)NC1=O	REAL300028989060	0	45	-2.0	-95.04	401.66	0.56	-94.48
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CN=C(N)[N-]C1=O	REAL300028989060	1	45	-2.0	-95.04	401.66	0.56	-94.48
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300028989129	0	41	-2.0	-92.44	369.58	0.52	-91.92
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300028989218	0	45	-2.0	-86.65	404.30	-0.88	-87.53
CCN1[N-]C(C(=O)N(C)CC2=CC=C(CNC(=O)C3=CC(=O)[N-]O3)C=C2)=CC1=O	REAL300028989249	0	48	-2.0	-91.92	419.12	3.07	-88.85
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300028989262	0	45	-2.0	-90.89	396.28	2.11	-88.78
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)CC1=CC(=O)NN1	REAL300028989332	0	45	-2.0	-99.05	397.86	0.77	-98.28
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)CC1=CC(=O)N[N-]1	REAL300028989332	1	45	-2.0	-99.05	397.86	0.77	-98.28
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CC=C(O)C(F)=C1	REAL300028989334	0	45	-2.0	-93.30	397.91	3.37	-89.93
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CC=C([O-])C(F)=C1	REAL300028989334	1	45	-2.0	-93.30	397.91	3.37	-89.93
CC1=CN=C(C(=O)N(C)CC2=CC=C(CNC(=O)C3=CC(=O)[N-]O3)C=C2)C(O)=C1	REAL300028989382	0	47	-2.0	-103.68	407.09	4.78	-98.90
CC1=CN=C(C(=O)N(C)CC2=CC=C(CNC(=O)C3=CC(=O)[N-]O3)C=C2)C([O-])=C1	REAL300028989382	1	47	-2.0	-103.68	407.09	4.78	-98.90
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CC([O-])=CS1	REAL300028989393	0	42	-2.0	-101.97	381.05	2.09	-99.88
CN(CC1=CC=C(CNC(=O)C2=CC(=O)[N-]O2)C=C1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300028989402	0	45	-2.0	-101.54	404.03	4.04	-97.50
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CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000190	1	40	-2.0	-81.78	337.36	-2.19	-83.97
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CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000254	1	47	-2.0	-102.87	380.85	5.47	-97.40
CN(C(=O)C1=C(Cl)C(=O)[N-]S1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000255	0	38	-2.0	-87.26	339.00	-0.11	-87.37
CN(C(=O)C1=CN=C(N)[N-]C1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000274	1	42	-2.0	-87.79	343.81	-0.71	-88.50
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CN(C(=O)C1=CC=C(F)C([O-])=C1F)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000325	0	42	-2.0	-97.23	353.56	2.28	-94.95
CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000382	0	42	-2.0	-86.62	361.94	2.76	-83.86
CN(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000386	1	43	-2.0	-85.17	360.04	1.59	-83.58
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CN(C(=O)C1=CC=C2N[N-]N=C2C1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000394	0	44	-2.0	-83.73	359.57	0.79	-82.94
CN(C(=O)C1=NC=CC(Cl)=C1[O-])C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000402	0	41	-2.0	-94.19	351.90	3.62	-90.57
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CN(C(=O)C1=CC=NC=C1[O-])C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000451	0	41	-2.0	-97.67	332.68	1.77	-95.90
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000458	0	38	-2.0	-88.93	318.61	-0.53	-89.46
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CN(C(=O)C1=CC2=CC=CC=C2C=C1[O-])C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000568	1	48	-2.0	-106.77	384.91	5.85	-100.92
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CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000671	1	41	-2.0	-81.89	353.70	2.87	-79.02
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CN(C(=O)C1=CC(=O)NC([O-])=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000703	0	42	-2.0	-84.24	353.97	-2.02	-86.26
CCN1[N-]C(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029000780	0	45	-2.0	-88.51	368.16	1.94	-86.57
CN(C(=O)C1=CC(=O)N(C)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000798	0	42	-2.0	-87.78	346.43	1.01	-86.77
CN(C(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000813	0	42	-2.0	-89.09	363.07	-1.17	-90.26
CN(C(=O)CC1=CC(=O)N[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000962	1	42	-2.0	-94.00	347.13	-0.26	-94.26
CN(C(=O)C1=CC=C([O-])C(F)=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029000969	1	42	-2.0	-89.32	345.95	2.21	-87.11
CN(C(=O)C1=CC(F)=C([O-])C(F)=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029001022	0	42	-2.0	-89.65	352.16	2.27	-87.38
CN(C(=O)C1=CC=NC(Cl)=C1[O-])C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029001027	0	41	-2.0	-93.00	352.03	1.86	-91.14
CC1=C(CC(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N(C)[N-]1	REAL300029001044	0	48	-2.0	-94.65	389.95	2.15	-92.50
CC1=CN=C(C(=O)N(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C([O-])=C1	REAL300029001090	1	44	-2.0	-99.27	356.76	3.67	-95.60
CN(C(=O)C1=CC([O-])=CS1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029001121	0	39	-2.0	-96.43	330.50	0.99	-95.44
CN(C(=O)C1=CN([O-])C(=O)C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029001141	0	42	-2.0	-97.59	354.39	3.04	-94.55
CN(C(=O)C1=CC(F)=CC(Cl)=C1[O-])C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029001147	0	42	-2.0	-90.31	361.12	4.16	-86.15
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1	REAL300029001191	0	42	-2.0	-87.10	350.52	0.27	-86.83
CN(C(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CC1	REAL300029001226	1	43	-2.0	-78.32	362.08	0.90	-77.42
CC(C)(NC(=O)C1=NNC(=O)[N-]C1=O)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002395	0	43	-2.0	-103.70	348.71	-2.59	-106.29
CC(C)(NC(=O)CN1C(=O)[N-]NC1=O)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029002474	0	45	-2.0	-103.15	362.79	-0.79	-103.94
CC(C)(NC(=O)C1=CN([O-])C(=O)C=C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003021	0	45	-2.0	-108.88	358.82	3.14	-105.74
CC(C)(NC(=O)C1=CC(=O)NC([O-])=C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003123	0	45	-2.0	-100.89	359.48	-1.23	-102.12
CC(C)(NC(=O)C1=COC(=O)[N-]1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003134	1	41	-2.0	-99.81	331.35	-1.93	-101.74
CCN1[N-]C(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029003290	0	48	-2.0	-107.61	381.66	2.27	-105.34
CC(C)(NC(=O)CC1=CC(=O)N[N-]1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003297	1	45	-2.0	-103.50	356.87	-0.33	-103.83
CC(C)(NC(=O)C1=CC=CC(=S)N1[O-])C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003313	0	45	-2.0	-125.72	368.46	5.59	-120.13
CC(C)(NC(=O)CC1SC(=O)[N-]C1=O)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003322	0	45	-2.0	-91.62	369.98	-1.81	-93.43
CN1N=C(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029003335	0	44	-2.0	-109.43	354.36	-0.15	-109.58
CC(C)(NC(=O)C1=C[N-]N=CC1=O)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003417	0	43	-2.0	-92.17	340.11	1.16	-91.01
CC(C)(NC(=O)C1=CC(=O)N[N-]1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003512	0	42	-2.0	-103.96	337.11	-0.38	-104.34
CC(C)(NC(=O)C(=O)[PH](C)(C)[O-])C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003516	0	47	-2.0	-100.05	370.33	0.50	-99.55
CC(C)(NC(=O)C1=CC=CN([O-])C1=O)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003547	0	45	-2.0	-110.59	356.60	3.29	-107.30
CC1SC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300029003574	0	44	-2.0	-106.96	362.72	-0.80	-107.76
CC1=C([O-])N=C(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300029003574	1	44	-2.0	-106.96	362.72	-0.80	-107.76
CC(C)(NC(=O)C1=CC(=O)C=C(Cl)N1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003586	0	44	-2.0	-93.85	366.34	2.36	-91.49
CC(C)(NC(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003586	1	44	-2.0	-93.85	366.34	2.36	-91.49
CC(C)(NC(=O)C1=CC(=O)N([O-])C=C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003600	0	45	-2.0	-109.56	359.20	3.13	-106.43
CC(C)(NC(=O)C1=CC=CC(=O)N1[O-])C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003634	0	45	-2.0	-125.72	357.34	4.57	-121.15
CC(C)(NC(=O)CC1=C([O-])N=C(N)S1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003746	0	46	-2.0	-123.43	377.53	-1.90	-125.33
CC(C)(NC(=O)CC1=NC([O-])=CS1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029003786	0	44	-2.0	-117.30	362.72	-1.07	-118.37
CCC1=NC=C(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029003800	0	49	-2.0	-98.72	381.47	1.56	-97.16
CCC1=NC=C(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029003800	1	49	-2.0	-98.72	381.47	1.56	-97.16
CC1=CC(=O)C(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029004001	0	46	-2.0	-108.99	365.87	3.29	-105.70
CC(C)(NC(=O)C1=NC(=O)N[N-]1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004015	0	41	-2.0	-107.54	331.71	-1.66	-109.20
CC(C)(NC(=O)C1=CN=C(C=N[O-])S1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004113	0	44	-2.0	-107.37	372.47	1.22	-106.15
COC1=NC(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300029004127	0	47	-2.0	-105.28	377.88	-2.36	-107.64
CN1[N-]C(C(=O)NC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029004272	0	45	-2.0	-106.36	359.97	1.33	-105.03
CC(C)(NC(=O)CSC1=NNC(=O)[N-]1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004279	0	45	-2.0	-99.93	374.11	-0.54	-100.47
CC(C)(NC(=O)C1=NC(=O)[N-]C(=O)N1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004420	0	43	-2.0	-107.40	350.28	-3.43	-110.83
CC(C)(NC(=O)C1=NC(=O)NC(=O)[N-]1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004420	1	43	-2.0	-100.99	350.00	-2.56	-103.55
CC(C)(NC(=O)CN1[N-]C(=O)C=CC1=O)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029004558	0	47	-2.0	-102.23	377.99	-0.40	-102.63
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=NC=CC=C1[O-]	REAL300029004810	1	44	-2.0	-108.39	347.76	2.82	-105.57
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300029004930	0	43	-2.0	-101.34	347.43	-2.88	-104.22
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300029005086	0	45	-2.0	-105.51	364.91	-1.23	-106.74
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300029006326	1	45	-2.0	-100.98	365.73	4.19	-96.79
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300029006350	1	46	-2.0	-94.54	372.23	2.46	-92.08
CCC1=NC=C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029006424	1	49	-2.0	-102.02	382.92	1.20	-100.82
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=COC(=O)[N-]1	REAL300029006440	1	41	-2.0	-95.88	331.07	-0.70	-96.58
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300029006510	0	44	-2.0	-104.70	369.90	-0.37	-105.07
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300029006511	0	46	-2.0	-133.50	381.31	-1.23	-134.73
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C([O-])C=C1F	REAL300029006532	1	45	-2.0	-92.46	355.65	2.40	-90.06
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300029006538	0	44	-2.0	-96.54	356.09	1.75	-94.79
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300029006545	1	46	-2.0	-100.38	371.74	2.66	-97.72
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300029006548	0	44	-2.0	-96.08	360.95	2.23	-93.85
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300029006562	0	46	-2.0	-100.16	375.30	-2.35	-102.51
CC1=CC=C([O-])C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029006621	1	47	-2.0	-124.86	370.40	4.06	-120.80
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CCC1=NNC(=O)[N-]1	REAL300029006622	0	47	-2.0	-97.58	375.24	-0.59	-98.17
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300029006640	0	43	-2.0	-92.42	340.84	0.88	-91.54
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300029006648	0	45	-2.0	-110.13	355.90	3.63	-106.50
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=CC([O-])=C1F	REAL300029006736	1	45	-2.0	-107.80	356.21	2.32	-105.48
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300029006828	0	42	-2.0	-96.57	335.85	-0.65	-97.22
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300029006833	0	47	-2.0	-98.90	370.44	0.62	-98.28
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC(F)=CC(F)=C1[O-]	REAL300029006897	0	45	-2.0	-100.86	361.62	3.81	-97.05
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300029006917	0	45	-2.0	-109.60	357.46	2.77	-106.83
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=NC(=O)N[N-]1	REAL300029006943	0	41	-2.0	-96.69	330.72	-1.34	-98.03
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=CN([O-])C1=O	REAL300029006948	0	45	-2.0	-119.03	358.51	2.92	-116.11
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=NC(N)=CC(=O)[N-]1	REAL300029007045	0	45	-2.0	-106.10	360.00	-0.91	-107.01
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300029007090	0	45	-2.0	-96.32	367.55	2.80	-93.52
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300029007095	1	45	-2.0	-100.12	355.41	3.75	-96.37
CC1=CC=NC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300029007155	1	47	-2.0	-123.17	369.12	4.18	-118.99
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CN=CC([O-])=C1	REAL300029007263	1	44	-2.0	-100.46	346.54	0.37	-100.09
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300029007273	0	45	-2.0	-106.78	367.17	3.71	-103.07
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300029007379	0	44	-2.0	-92.14	366.16	1.92	-90.22
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300029007422	1	45	-2.0	-90.85	363.79	2.84	-88.01
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300029007423	0	48	-2.0	-98.84	382.74	1.95	-96.89
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC1=NC([O-])=CS1	REAL300029007430	0	44	-2.0	-138.12	366.58	-0.37	-138.49
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300029007444	0	47	-2.0	-113.59	381.85	0.27	-113.32
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300029007445	0	45	-2.0	-102.59	355.36	3.70	-98.89
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300029007532	0	45	-2.0	-91.61	373.02	-1.64	-93.25
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300029007552	0	45	-2.0	-95.39	361.76	2.43	-92.96
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300029007559	0	45	-2.0	-105.06	365.71	4.10	-100.96
CC1=CC(=O)C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029007583	0	46	-2.0	-100.67	364.63	2.98	-97.69
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300029007603	0	45	-2.0	-103.67	356.05	2.94	-100.73
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300029007625	0	45	-2.0	-97.56	369.03	0.68	-96.88
CN1N=C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029007672	0	44	-2.0	-104.03	353.47	-0.42	-104.45
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300029007722	0	46	-2.0	-96.72	369.84	4.09	-92.63
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300029007807	0	45	-2.0	-90.29	363.19	0.48	-89.81
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300029007855	1	45	-2.0	-105.25	357.79	2.28	-102.97
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300029007871	1	45	-2.0	-102.36	365.68	4.14	-98.22
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029007931	0	43	-2.0	-93.05	349.48	-2.34	-95.39
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029007931	1	43	-2.0	-93.05	349.48	-2.34	-95.39
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CN=C(N)NC1=O	REAL300029007980	0	45	-2.0	-102.19	356.37	-0.44	-102.63
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300029007980	1	45	-2.0	-102.19	356.37	-0.44	-102.63
CC1=C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300029008001	0	48	-2.0	-91.22	386.50	3.21	-88.01
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300029008064	0	44	-2.0	-119.30	364.99	4.01	-115.29
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029008108	0	41	-2.0	-106.98	331.89	0.11	-106.87
CC1SC(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300029008128	0	44	-2.0	-102.68	363.87	0.57	-102.11
CC1=C([O-])N=C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)S1	REAL300029008128	1	44	-2.0	-102.68	363.87	0.57	-102.11
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C(=O)C1=CC=C(O)C=C1	REAL300029008215	0	47	-2.0	-96.67	373.55	2.58	-94.09
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300029008215	1	47	-2.0	-96.67	373.55	2.58	-94.09
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300029008235	0	44	-2.0	-106.62	369.33	0.23	-106.39
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC(=O)C=C(Cl)N1	REAL300029008255	0	44	-2.0	-92.99	365.84	2.93	-90.06
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029008255	1	44	-2.0	-92.99	365.84	2.93	-90.06
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300029008277	0	45	-2.0	-87.73	357.17	-2.13	-89.86
CCN1[N-]C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029008334	0	48	-2.0	-100.65	380.49	2.04	-98.61
CN1[N-]C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029008350	0	45	-2.0	-99.55	358.69	1.11	-98.44
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300029008359	0	45	-2.0	-97.87	376.21	-0.93	-98.80
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC1=CC(=O)NN1	REAL300029008470	0	45	-2.0	-122.05	360.73	0.34	-121.71
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC1=CC(=O)N[N-]1	REAL300029008470	1	45	-2.0	-122.05	360.73	0.34	-121.71
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C(O)C(F)=C1	REAL300029008475	0	45	-2.0	-100.08	357.76	2.31	-97.77
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300029008475	1	45	-2.0	-100.08	357.76	2.31	-97.77
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300029008513	0	45	-2.0	-92.84	363.36	2.44	-90.40
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300029008517	0	44	-2.0	-100.64	360.26	2.25	-98.39
CC1=CN=C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C(O)=C1	REAL300029008567	0	47	-2.0	-110.50	369.30	3.52	-106.98
CC1=CN=C(C(=O)N2CCCC2C(C)(C)NC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300029008567	1	47	-2.0	-110.50	369.30	3.52	-106.98
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC([O-])=CS1	REAL300029008588	0	42	-2.0	-100.37	343.55	1.21	-99.16
CC(C)(NC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300029008601	0	45	-2.0	-105.84	356.60	2.79	-103.05
CC(C)(NC(=O)C1=CN([O-])C(=O)NC1=O)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029008626	0	45	-2.0	-97.16	362.49	0.76	-96.40
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300029009154	1	47	-2.0	-95.73	392.89	2.10	-93.63
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCN1C(=O)[N-]NC1=O	REAL300029009866	0	48	-2.0	-90.81	397.69	0.17	-90.64
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300029010105	0	46	-2.0	-88.86	386.54	-2.58	-91.44
CC(=O)[N-]C1=NC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300029010106	1	44	-2.0	-81.42	376.91	1.51	-79.91
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300029010285	1	47	-2.0	-95.47	391.14	1.58	-93.89
COC1=C(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300029010407	1	45	-2.0	-87.45	380.68	-2.81	-90.26
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300029010534	0	40	-2.0	-88.77	339.20	-2.52	-91.29
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1C(=O)[N-]NC1=O	REAL300029010662	0	42	-2.0	-91.13	355.17	-1.08	-92.21
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300029011617	0	42	-2.0	-98.43	357.52	3.29	-95.14
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300029011801	0	42	-2.0	-82.89	358.19	-1.63	-84.52
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC(=O)[N-]1	REAL300029011814	1	38	-2.0	-92.13	322.75	-0.39	-92.52
CCN1[N-]C(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029012065	0	45	-2.0	-87.60	372.35	2.28	-85.32
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC(=O)N[N-]1	REAL300029012074	1	42	-2.0	-93.58	351.32	0.00	-93.58
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CC(=S)N1[O-]	REAL300029012099	0	42	-2.0	-115.42	368.46	3.66	-111.76
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1SC(=O)[N-]C1=O	REAL300029012115	0	42	-2.0	-83.20	364.44	-1.49	-84.69
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300029012134	0	41	-2.0	-105.46	346.49	-0.32	-105.78
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=C[N-]N=CC1=O	REAL300029012262	0	40	-2.0	-98.70	341.59	1.03	-97.67
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300029012302	0	44	-2.0	-114.36	368.50	1.48	-112.88
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)N[N-]1	REAL300029012409	0	39	-2.0	-84.10	327.35	-0.34	-84.44
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300029012414	0	44	-2.0	-82.67	362.37	0.79	-81.88
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1=NC(=O)NN1	REAL300029012456	0	44	-2.0	-94.81	366.57	-0.96	-95.77
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1=NC(=O)[N-]N1	REAL300029012456	1	44	-2.0	-94.81	366.57	-0.96	-95.77
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CN([O-])C1=O	REAL300029012465	0	42	-2.0	-109.75	351.05	3.02	-106.73
CSC1=NC=C(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029012486	0	44	-2.0	-95.13	383.35	0.99	-94.14
CSC1=NC=C(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029012486	1	44	-2.0	-95.13	383.35	0.99	-94.14
CC1SC(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300029012512	0	41	-2.0	-90.57	354.53	0.43	-90.14
CC1=C([O-])N=C(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300029012512	1	41	-2.0	-90.57	354.53	0.43	-90.14
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)C=C(Cl)N1	REAL300029012535	0	41	-2.0	-81.13	357.54	3.27	-77.86
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029012535	1	41	-2.0	-81.13	357.54	3.27	-77.86
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300029012560	0	42	-2.0	-114.12	350.17	2.96	-111.16
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300029012625	0	42	-2.0	-111.75	357.34	3.03	-108.72
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=C([O-])N=C(N)S1	REAL300029012810	0	43	-2.0	-121.21	371.66	-1.73	-122.94
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=NC([O-])=CS1	REAL300029012876	0	41	-2.0	-105.57	357.17	-0.73	-106.30
CCC1=NC=C(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029012903	1	46	-2.0	-94.06	382.05	1.45	-92.61
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300029012916	0	43	-2.0	-93.32	365.51	-2.18	-95.50
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300029013001	0	38	-2.0	-85.65	342.94	0.36	-85.29
COCC1=NC=C(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029013120	0	47	-2.0	-94.20	394.98	-0.31	-94.51
COCC1=NC=C(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029013120	1	47	-2.0	-94.20	394.98	-0.31	-94.51
CC1=CC(=O)C(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029013227	0	43	-2.0	-88.48	356.35	3.34	-85.14
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNC(=O)[N-]1	REAL300029013246	0	38	-2.0	-87.28	322.50	-1.85	-89.13
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029013272	0	43	-2.0	-85.27	372.41	2.23	-83.04
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029013272	1	43	-2.0	-85.27	372.41	2.23	-83.04
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=C(C=N[O-])S1	REAL300029013420	0	41	-2.0	-96.99	360.59	0.53	-96.46
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300029013673	0	42	-2.0	-86.76	350.62	1.35	-85.41
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CC2=C1C(=O)NC2=O	REAL300029013683	0	45	-2.0	-104.40	378.12	0.35	-104.05
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300029013683	1	45	-2.0	-104.40	378.12	0.35	-104.05
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300029013686	0	42	-2.0	-101.11	367.30	-0.90	-102.01
CC1=C(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=S)NC(=O)N1	REAL300029013687	0	44	-2.0	-114.57	380.20	0.43	-114.14
CC1=C(C(=O)N(C)CC2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300029013687	1	44	-2.0	-114.57	380.20	0.43	-114.14
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029013916	0	40	-2.0	-85.83	340.74	-2.64	-88.47
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029013916	1	40	-2.0	-91.89	341.40	-2.01	-93.90
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300029013995	0	44	-2.0	-100.96	377.21	-4.60	-105.56
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300029013995	1	44	-2.0	-83.96	377.49	-4.49	-88.45
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300029014148	0	44	-2.0	-91.69	371.29	-0.08	-91.77
CN(CC1CCCN1C(=O)C1=NC=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029014405	1	41	-2.0	-117.49	339.52	3.14	-114.35
CN(CC1CCCN1C(=O)CCN1C=C[N-]C(=O)C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029014521	1	47	-2.0	-105.75	391.43	1.45	-104.30
CC(=O)[N-]C1=NC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300029014533	1	44	-2.0	-81.02	377.54	1.45	-79.57
CN(CC1CCCN1C(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029014561	0	40	-2.0	-88.93	338.93	-2.52	-91.45
COC1=C(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300029014610	1	45	-2.0	-89.64	370.20	-1.91	-91.55
CN(CC1CCCN1C(=O)CN1C(=O)[N-]NC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029014770	0	42	-2.0	-109.38	358.64	-1.10	-110.48
CN(CC1CCCN1C(=O)CCCN1C(=O)[N-]NC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029015688	0	48	-2.0	-90.51	399.06	0.20	-90.31
CN(CC1CCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029015889	1	47	-2.0	-86.75	362.61	1.16	-85.59
CN(CC1CCCN1C(=O)CCC1=NNC(=O)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029016661	0	46	-2.0	-101.37	385.69	-2.69	-104.06
CN(CC1CCCN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029016669	0	44	-2.0	-124.52	359.11	4.74	-119.78
CN(CC1CCCN1C(=O)C1=CC(Cl)=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029016683	1	42	-2.0	-128.86	343.38	4.53	-124.33
CN(CC1CCCN1C(=O)C1=CC([O-])=CC(C#N)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029016714	1	43	-2.0	-109.78	354.02	3.29	-106.49
CN(CC1CCCN1C(=O)C1=CC=C(N)C(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029016740	0	44	-2.0	-98.72	355.37	1.96	-96.76
CN(CC1CCCN1C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029016791	0	44	-2.0	-100.04	353.04	4.69	-95.35
CCC1=NC=C(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029016820	1	46	-2.0	-118.46	365.25	1.95	-116.51
CN(CC1CCCN1C(=O)C1=COC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300029016841	1	38	-2.0	-84.15	322.58	-0.47	-84.62
CN(CC1CCCN1C(=O)C[N-]C(=O)C(F)(F)F)C(=O)C1=CC(=O)[N-]O1	REAL300029016942	0	41	-2.0	-83.83	360.99	-0.75	-84.58
CN(CC1CCCN1C(=O)CC1=C([O-])N=C(N)S1)C(=O)C1=CC(=O)[N-]O1	REAL300029016943	0	43	-2.0	-104.67	372.20	-1.55	-106.22
CN(CC1CCCN1C(=O)C1=CC=C([O-])C=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300029016970	1	42	-2.0	-88.85	333.61	1.93	-86.92
CN(CC1CCCN1C(=O)C1=CC([O-])=CC(=O)O1)C(=O)C1=CC(=O)[N-]O1	REAL300029016979	0	41	-2.0	-84.04	348.16	1.98	-82.06
CN(CC1CCCN1C(=O)C1=CC=C(C#N)C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029016989	1	43	-2.0	-90.75	348.53	2.24	-88.51
CN(CC1CCCN1C(=O)C1=CC(Cl)=NC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029016995	0	41	-2.0	-125.30	338.86	2.54	-122.76
CN(CC1CCCN1C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029016998	0	44	-2.0	-84.57	379.32	-0.24	-84.81
CN(CC1CCCN1C(=O)CN1N=CC(=O)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029017014	0	43	-2.0	-113.91	369.21	-2.20	-116.11
CC1=CC=C([O-])C(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)=N1	REAL300029017100	1	44	-2.0	-118.54	361.18	3.72	-114.82
CN(CC1CCCN1C(=O)C1=C[N-]N=CC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029017124	0	40	-2.0	-111.39	323.06	1.86	-109.53
CN(CC1CCCN1C(=O)C1=CC=CC(F)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029017135	0	42	-2.0	-100.76	333.17	3.55	-97.21
CN(CC1CCCN1C(=O)C1=CC=CC([O-])=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300029017252	1	42	-2.0	-97.36	333.49	1.94	-95.42
CN(CC1CCCN1C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029017323	0	44	-2.0	-87.16	360.66	4.07	-83.09
CN(CC1CCCN1C(=O)C1=CC(=O)N[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300029017386	0	39	-2.0	-84.14	327.43	-0.40	-84.54
CN(CC1CCCN1C(=O)C(=O)[PH](C)(C)[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029017393	0	44	-2.0	-84.90	362.43	0.87	-84.03
CN(CC1CCCN1C(=O)C(=O)C=C([O-])C1=CC=CC=N1)C(=O)C1=CC(=O)[N-]O1	REAL300029017420	0	47	-2.0	-98.48	395.97	4.23	-94.25
COCC1=NC=C(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029017453	0	47	-2.0	-120.02	378.18	0.19	-119.83
COCC1=NC=C(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029017453	1	47	-2.0	-120.02	378.18	0.19	-119.83
CN(CC1CCCN1C(=O)C1=CC(=O)N([O-])C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029017506	0	42	-2.0	-99.79	336.00	2.45	-97.34
CN(CC1CCCN1C(=O)C1=CC(F)=C(F)C([O-])=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300029017539	0	42	-2.0	-90.45	344.87	2.09	-88.36
CN(CC1CCCN1C(=O)C1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300029017541	0	38	-2.0	-102.06	322.27	-2.00	-104.06
CN(CC1CCCN1C(=O)C1=CC=CN([O-])C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029017553	0	42	-2.0	-126.03	340.16	3.64	-122.39
CN(CC1CCCN1C(=O)C1=CC(F)=CC=C1O)C(=O)C1=CC(=O)[N-]O1	REAL300029017759	0	42	-2.0	-131.27	337.44	4.31	-126.96
CN(CC1CCCN1C(=O)C1=CC(F)=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029017759	1	42	-2.0	-131.27	337.44	4.31	-126.96
CC1=CC=NC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)=C1O	REAL300029017844	0	44	-2.0	-117.38	359.91	3.84	-113.54
CC1=CC=NC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300029017844	1	44	-2.0	-117.38	359.91	3.84	-113.54
CN(CC1CCCN1C(=O)C1=CC=C(Cl)C(F)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029017900	0	42	-2.0	-96.02	349.27	4.04	-91.98
CN(CC1CCCN1C(=O)C1=CN=CC([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029018012	1	41	-2.0	-128.14	326.76	1.56	-126.58
CN(CC1CCCN1C(=O)C1=CC=CC(=S)N1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029018024	0	42	-2.0	-105.33	355.24	4.40	-100.93
CN(CC1CCCN1C(=O)C1=CC(N)=C(Cl)C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029018177	1	44	-2.0	-112.71	360.80	1.64	-111.07
CN(CC1CCCN1C(=O)C1=CC=C([O-])C(Cl)=N1)C(=O)C1=CC(=O)[N-]O1	REAL300029018181	0	41	-2.0	-90.71	357.83	2.00	-88.71
CN(CC1CCCN1C(=O)C1=CC=C([O-])C=C1Cl)C(=O)C1=CC(=O)[N-]O1	REAL300029018244	1	42	-2.0	-87.91	341.33	2.34	-85.57
CN(CC1CCCN1C(=O)C1=CC(C#N)=C(N)C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029018246	0	45	-2.0	-124.29	360.37	2.30	-121.99
CN(CC1CCCN1C(=O)CC1=NC([O-])=CS1)C(=O)C1=CC(=O)[N-]O1	REAL300029018256	0	41	-2.0	-104.91	356.90	-0.68	-105.59
CN(CC1CCCN1C(=O)CN1[N-]C(=O)C=CC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029018279	0	44	-2.0	-91.86	372.56	-0.05	-91.91
CN(CC1CCCN1C(=O)C1=CC=C(F)C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029018282	0	42	-2.0	-95.21	333.35	3.46	-91.75
CN(CC1CCCN1C(=O)CC1SC(=O)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029018401	0	42	-2.0	-84.24	364.65	-1.44	-85.68
CN(CC1CCCN1C(=O)C1=CC=C([O-])C(F)=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300029018428	0	42	-2.0	-89.29	339.64	2.04	-87.25
CN(CC1CCCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029018431	1	43	-2.0	-79.41	340.94	0.78	-78.63
CN(CC1CCCN1C(=O)C1=CC=CC(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029018436	0	42	-2.0	-96.09	342.99	4.02	-92.07
CC1=CC(=O)C(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029018469	0	43	-2.0	-105.25	356.35	3.22	-102.03
CN(CC1CCCN1C(=O)C=C([O-])C1=CC=C(O)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029018474	0	47	-2.0	-101.64	388.46	2.97	-98.67
CN(CC1CCCN1C(=O)C1=CC=CC(=O)N1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029018502	0	42	-2.0	-112.18	333.21	3.44	-108.74
CN(CC1CCCN1C(=O)C1=CC=C(C#N)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029018538	0	42	-2.0	-109.76	348.59	1.75	-108.01
CN(CC1CCCN1C(=O)COC1=NC(=O)[N-]C(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL300029018539	0	44	-2.0	-100.18	378.03	-4.60	-104.78
CN(CC1CCCN1C(=O)COC1=NC(=O)NC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300029018539	1	44	-2.0	-97.27	376.63	-4.55	-101.82
CN(CC1CCCN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029018568	0	44	-2.0	-120.79	355.17	5.03	-115.76
CN(CC1CCCN1C(=O)C1=NN(C)C(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300029018608	0	41	-2.0	-90.49	344.88	-0.19	-90.68
CN(CC1CCCN1C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029018642	0	44	-2.0	-86.37	355.43	-0.39	-86.76
CN(CC1CCCN1C(=O)C1=CC(C#N)=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029018684	0	43	-2.0	-121.90	347.47	4.44	-117.46
CN(CC1CCCN1C(=O)C1=CN([O-])C(=O)NC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029018805	0	42	-2.0	-87.92	330.25	-0.89	-88.81
CN(CC1CCCN1C(=O)C1=CC(Cl)=C(F)C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029018842	0	42	-2.0	-125.58	349.31	4.51	-121.07
CN(CC1CCCN1C(=O)C1=CC=C(F)C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029018869	1	42	-2.0	-113.84	339.38	2.98	-110.86
CN(CC1CCCN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029018877	1	47	-2.0	-106.61	367.43	3.94	-102.67
CN(CC1CCCN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029018881	0	44	-2.0	-91.27	355.19	4.05	-87.22
CN(CC1CCCN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029018884	0	44	-2.0	-121.90	359.19	4.90	-117.00
CN(CC1CCCN1C(=O)C1=CC=C(Cl)C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029018895	1	42	-2.0	-95.16	343.71	3.91	-91.25
CN(CC1CCCN1C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029018909	0	44	-2.0	-112.28	361.36	3.55	-108.73
CN(CC1CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL300029018981	0	40	-2.0	-92.62	341.33	-2.18	-94.80
CN(CC1CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300029018981	1	40	-2.0	-92.62	341.33	-2.18	-94.80
CN(CC1CCCN1C(=O)C1=CC=C2N=NN([O-])C2=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019008	0	44	-2.0	-94.38	351.00	0.89	-93.49
CN(CC1CCCN1C(=O)C1=C(O)C2=CC=CC=C2C=N1)C(=O)C1=CC(=O)[N-]O1	REAL300029019045	0	47	-2.0	-123.51	384.82	5.46	-118.05
CN(CC1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)C1=CC(=O)[N-]O1	REAL300029019045	1	47	-2.0	-123.51	384.82	5.46	-118.05
CN(CC1CCCN1C(=O)C1=C(Cl)C(=O)[N-]S1)C(=O)C1=CC(=O)[N-]O1	REAL300029019046	0	38	-2.0	-85.57	343.16	0.27	-85.30
CN(CC1CCCN1C(=O)C1=CN=C(N)NC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029019065	0	42	-2.0	-118.07	338.49	0.33	-117.74
CN(CC1CCCN1C(=O)C1=CN=C(N)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029019065	1	42	-2.0	-118.07	338.49	0.33	-117.74
CC1=C(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300029019096	0	45	-2.0	-87.00	376.90	2.85	-84.15
CN(CC1CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019173	0	42	-2.0	-115.40	355.34	3.57	-111.83
CN(CC1CCCN1C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019177	0	43	-2.0	-112.62	353.30	2.42	-110.20
CN(CC1CCCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019177	1	43	-2.0	-112.62	353.30	2.42	-110.20
CN(CC1CCCN1C(=O)C1=CC=C2N[N-]N=C2C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029019185	0	44	-2.0	-87.17	339.31	0.31	-86.86
CN(CC1CCCN1C(=O)C1=NC=CC(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029019193	0	41	-2.0	-113.26	355.77	3.66	-109.60
CN(CC1CCCN1C(=O)CC1=CC=C(O)C(Cl)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019199	0	45	-2.0	-95.87	388.52	4.16	-91.71
CN(CC1CCCN1C(=O)CC1=CC=C([O-])C(Cl)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019199	1	45	-2.0	-95.87	388.52	4.16	-91.71
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)[N-]O1	REAL300029019249	0	38	-2.0	-99.69	322.59	-0.38	-100.07
CC1SC(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300029019283	0	41	-2.0	-98.22	354.55	0.16	-98.06
CC1=C([O-])N=C(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)S1	REAL300029019283	1	41	-2.0	-98.22	354.55	0.16	-98.06
CN(CC1CCCN1C(=O)C1=C(O)C2=CC=CC=C2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019351	0	48	-2.0	-100.73	370.42	5.62	-95.11
CN(CC1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019351	1	48	-2.0	-100.73	370.42	5.62	-95.11
CN(CC1CCCN1C(=O)C1=CC2=CC=CC=C2C=C1O)C(=O)C1=CC(=O)[N-]O1	REAL300029019359	0	48	-2.0	-146.73	372.68	6.29	-140.44
CN(CC1CCCN1C(=O)C1=CC2=CC=CC=C2C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029019359	1	48	-2.0	-146.73	372.68	6.29	-140.44
CN(CC1CCCN1C(=O)C(=O)C1=CC=C(O)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019402	0	44	-2.0	-98.88	364.86	2.62	-96.26
CN(CC1CCCN1C(=O)C(=O)C1=CC=C([O-])C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019402	1	44	-2.0	-98.88	364.86	2.62	-96.26
CN(CC1CCCN1C(=O)C1=CN=C(C=N[O-])S1)C(=O)C1=CC(=O)[N-]O1	REAL300029019432	0	41	-2.0	-96.25	360.96	0.49	-95.76
CN(CC1CCCN1C(=O)C1=CC(=O)C=C(Cl)N1)C(=O)C1=CC(=O)[N-]O1	REAL300029019462	0	41	-2.0	-94.45	357.56	3.01	-91.44
CN(CC1CCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300029019462	1	41	-2.0	-94.45	357.56	3.01	-91.44
CSC1=NC=C(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029019486	0	44	-2.0	-87.08	352.67	0.11	-86.97
CSC1=NC=C(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029019486	1	44	-2.0	-87.08	352.67	0.11	-86.97
CN(CC1CCCN1C(=O)C1=CC(=O)NC([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019494	0	42	-2.0	-83.56	334.31	-2.12	-85.68
CCN1[N-]C(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029019571	0	45	-2.0	-87.74	371.98	2.25	-85.49
CN(CC1CCCN1C(=O)C1=CC(=O)N(C)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300029019589	0	42	-2.0	-100.91	350.34	1.19	-99.72
CN(CC1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300029019604	0	42	-2.0	-100.09	366.78	-0.89	-100.98
CN(CC1CCCN1C(=O)CC1=CC(=O)NN1)C(=O)C1=CC(=O)[N-]O1	REAL300029019753	0	42	-2.0	-111.09	351.82	-0.08	-111.17
CN(CC1CCCN1C(=O)CC1=CC(=O)N[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300029019753	1	42	-2.0	-111.09	351.82	-0.08	-111.17
CN(CC1CCCN1C(=O)C1=CC=C(O)C(F)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019760	0	42	-2.0	-117.94	339.34	3.02	-114.92
CN(CC1CCCN1C(=O)C1=CC=C([O-])C(F)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019760	1	42	-2.0	-117.94	339.34	3.02	-114.92
CN(CC1CCCN1C(=O)C1=CC(F)=C([O-])C(F)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019813	0	42	-2.0	-118.29	344.17	3.57	-114.72
CN(CC1CCCN1C(=O)C1=CC=NC(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029019818	0	41	-2.0	-92.72	338.86	2.12	-90.60
CC1=CN=C(C(=O)N2CCCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300029019881	1	44	-2.0	-119.15	360.97	3.76	-115.39
CN(CC1CCCN1C(=O)C1=CC([O-])=CS1)C(=O)C1=CC(=O)[N-]O1	REAL300029019912	0	39	-2.0	-94.26	334.78	1.33	-92.93
CN(CC1CCCN1C(=O)C1=CN([O-])C(=O)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029019932	0	42	-2.0	-98.93	335.59	2.46	-96.47
CN(CC1CCCN1C(=O)C1=CC(F)=CC(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029019938	0	42	-2.0	-90.09	348.40	4.11	-85.98
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300029019982	0	42	-2.0	-88.35	357.89	1.02	-87.33
CN(CC1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029020017	1	43	-2.0	-83.67	373.70	1.22	-82.45
CC(CCNC(=O)C1=CN=C(C2CC2)[N-]C1=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020575	1	46	-2.0	-94.33	387.57	1.05	-93.28
CC(CCNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029020881	0	46	-2.0	-87.39	393.09	-0.64	-88.03
CC(CCNC(=O)CCCN1C(=O)[N-]NC1=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021431	0	47	-2.0	-107.44	398.99	-1.28	-108.72
CC(C)CN1[N-]C(CC(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029021627	0	53	-2.0	-114.25	433.45	2.49	-111.76
CC(CCNC(=O)CCC1=NNC(=O)[N-]C1=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021721	0	45	-2.0	-101.74	386.73	-4.00	-105.74
CC(=O)[N-]C1=NC(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300029021722	1	43	-2.0	-91.49	380.92	-0.50	-91.99
CC(CCNC(=O)CCN1C=C[N-]C(=O)C1=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029021936	1	46	-2.0	-104.00	392.47	0.14	-103.86
COC1=C(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300029022081	1	44	-2.0	-98.81	375.96	-2.83	-101.64
CC(CCNC(=O)C1=NNC(=O)[N-]C1=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022232	0	39	-2.0	-104.11	342.36	-4.13	-108.24
CC(CCNC(=O)CN1C(=O)[N-]NC1=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022373	0	41	-2.0	-109.20	356.48	-2.47	-111.67
CC1=C(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C(C)C)=N1	REAL300029022416	1	51	-2.0	-93.96	413.27	1.50	-92.46
CC(CCNC(=O)CN1[N-]C=C2C1=NC=NC2=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029022553	0	45	-2.0	-110.38	390.02	0.42	-109.96
CC(CCNC(=O)C1=CN([O-])C(=O)C=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023467	0	41	-2.0	-115.61	353.49	2.00	-113.61
CC(CCNC(=O)C1=CC(=O)NC([O-])=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023674	0	41	-2.0	-95.20	353.90	-2.89	-98.09
CC(CCNC(=O)C1=COC(=O)[N-]1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023690	1	37	-2.0	-93.31	325.97	-3.05	-96.36
CC(CCNC(=O)C1=CN=C(C2CCC2)[N-]C1=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023753	1	49	-2.0	-94.26	403.32	1.59	-92.67
CCN1[N-]C(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029023974	0	44	-2.0	-101.06	375.40	0.58	-100.48
CC(CCNC(=O)CC1=CC(=O)N[N-]1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029023985	1	41	-2.0	-111.00	351.47	-1.43	-112.43
CC(CCNC(=O)C1=CC=CC(=S)N1[O-])N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024012	0	41	-2.0	-140.51	362.03	4.05	-136.46
CC(CCNC(=O)CC1SC(=O)[N-]C1=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024031	0	41	-2.0	-99.61	364.58	-2.93	-102.54
CC(CCNC(=O)C1=NN(C)C(=O)[N-]1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024051	0	40	-2.0	-104.31	348.18	-1.87	-106.18
CC1=C(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C(=O)NC(C2CC2)=N1	REAL300029024183	0	49	-2.0	-94.61	403.46	1.71	-92.90
CC1=C(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C2CC2)=N1	REAL300029024183	1	49	-2.0	-94.61	403.46	1.71	-92.90
CC(CCNC(=O)C1=C[N-]N=CC1=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024199	0	39	-2.0	-88.42	335.02	0.09	-88.33
CC(CCNC(=O)C1=CC=C2N=NN([O-])C2=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024243	0	43	-2.0	-114.92	369.99	0.52	-114.40
CC(CCNC(=O)C1=CC(=O)N[N-]1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024370	0	38	-2.0	-96.86	330.80	-2.07	-98.93
CC(CCNC(=O)C(=O)[PH](C)(C)[O-])N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024375	0	43	-2.0	-97.95	365.46	-0.56	-98.51
CC(CCNC(=O)CCC1=NC(=O)NN1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024419	0	43	-2.0	-104.22	366.73	-2.39	-106.61
CC(CCNC(=O)CCC1=NC(=O)[N-]N1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024419	1	43	-2.0	-104.22	366.73	-2.39	-106.61
CC(CCNC(=O)C1=CC=CN([O-])C1=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024429	0	41	-2.0	-101.94	351.31	2.18	-99.76
CSC1=NC=C(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029024455	0	43	-2.0	-93.28	377.72	-0.01	-93.29
CSC1=NC=C(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029024455	1	43	-2.0	-93.28	377.72	-0.01	-93.29
CC(CCNC(=O)C1=NC(=O)C(C)S1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024483	0	40	-2.0	-98.31	357.34	-1.93	-100.24
CC1=C([O-])N=C(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)S1	REAL300029024483	1	40	-2.0	-98.31	357.34	-1.93	-100.24
CC(CCNC(=O)C1=CC(=O)C=C(Cl)N1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024507	0	40	-2.0	-93.81	361.01	1.23	-92.58
CC(CCNC(=O)C1=CC(=O)C=C(Cl)[N-]1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024507	1	40	-2.0	-93.81	361.01	1.23	-92.58
CC(CCNC(=O)C1=CC(=O)N([O-])C=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024535	0	41	-2.0	-114.93	353.87	1.99	-112.94
CC(CCNC(=O)C1=CC=CC(=O)N1[O-])N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024610	0	41	-2.0	-136.96	350.92	3.01	-133.95
CC(CCNC(=O)CC1=C([O-])N=C(N)S1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024829	0	42	-2.0	-117.89	372.13	-3.01	-120.90
CC(CCNC(=O)CC1=NC([O-])=CS1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024908	0	40	-2.0	-119.46	357.35	-2.15	-121.61
CCC1=NC=C(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029024940	1	45	-2.0	-93.02	376.48	0.47	-92.55
CC(CCNC(=O)CN1N=CC(=O)[N-]C1=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029024954	0	42	-2.0	-110.18	366.85	-3.58	-113.76
CC(CCNC(=O)C1=C(Cl)C(=O)[N-]S1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025054	0	37	-2.0	-97.30	348.36	-0.76	-98.06
COCC1=NC=C(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029025194	0	46	-2.0	-94.67	388.92	-1.31	-95.98
COCC1=NC=C(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029025194	1	46	-2.0	-94.67	388.92	-1.31	-95.98
CC(CCNC(=O)C1=CN=C(CC2CC2)NC1=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025209	0	49	-2.0	-93.17	407.41	2.07	-91.10
CC(CCNC(=O)C1=CN=C(CC2CC2)[N-]C1=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025209	1	49	-2.0	-93.17	407.41	2.07	-91.10
CC1=CC(=O)C(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029025317	0	42	-2.0	-104.10	359.52	1.74	-102.36
CC(CCNC(=O)C1=NC(=O)N[N-]1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025340	0	37	-2.0	-94.52	325.39	-3.35	-97.87
CC(CCNC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025370	0	42	-2.0	-94.11	367.99	0.95	-93.16
CC(CCNC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025370	1	42	-2.0	-94.11	367.99	0.95	-93.16
CC(CCNC(=O)C1=CN=C(C=N[O-])S1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025533	0	40	-2.0	-106.76	366.18	-0.48	-107.24
CC(CCNC(=O)C1=CC(=O)N(C)[N-]1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025819	0	41	-2.0	-100.08	353.61	-0.36	-100.44
CC(CCNC(=O)C1=CC=CC2=C1C(=O)NC2=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025829	0	44	-2.0	-124.93	376.33	0.06	-124.87
CC(CCNC(=O)C1=CC=CC2=C1C(=O)[N-]C2=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025829	1	44	-2.0	-124.93	376.33	0.06	-124.87
CC(CCNC(=O)CSC1=NNC(=O)[N-]1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029025833	0	41	-2.0	-100.70	367.82	-2.23	-102.93
CC1=C(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C(=S)NC(=O)N1	REAL300029025834	0	43	-2.0	-117.27	381.40	-0.91	-118.18
CC1=C(C(=O)NCCC(C)N(C)C(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300029025834	1	43	-2.0	-117.27	381.40	-0.91	-118.18
CC(CCNC(=O)C1=NC(=O)[N-]C(=O)N1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026100	0	39	-2.0	-94.26	343.92	-5.12	-99.38
CC(CCNC(=O)C1=NC(=O)NC(=O)[N-]1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026100	1	39	-2.0	-92.33	344.57	-4.37	-96.70
CC(CCNC(=O)COC1=NC(=O)[N-]C(=O)N1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026200	0	43	-2.0	-101.43	377.69	-5.91	-107.34
CC(CCNC(=O)COC1=NC(=O)NC(=O)[N-]1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026200	1	43	-2.0	-97.48	377.67	-5.86	-103.34
CC(CCNC(=O)CN1[N-]C(=O)C=CC1=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029026379	0	43	-2.0	-110.13	372.58	-1.48	-111.61
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NC=CC=C1[O-]	REAL300029026626	1	40	-2.0	-108.96	342.66	2.07	-106.89
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300029026747	1	46	-2.0	-106.92	395.10	0.26	-106.66
CC(=O)[N-]C1=NC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300029026760	1	43	-2.0	-89.48	381.16	0.20	-89.28
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NNC(=O)[N-]C1=O	REAL300029026792	0	39	-2.0	-101.19	342.23	-3.78	-104.97
COC1=C(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300029026852	1	44	-2.0	-96.46	384.68	-4.12	-100.58
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CN1C(=O)[N-]NC1=O	REAL300029027032	0	41	-2.0	-101.69	359.14	-2.40	-104.09
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300029027087	0	45	-2.0	-101.72	392.69	0.49	-101.23
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCCN1C(=O)[N-]NC1=O	REAL300029028087	0	47	-2.0	-100.72	401.66	-1.16	-101.88
CC(C)CN1[N-]C(CC(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029028262	0	53	-2.0	-109.32	438.55	2.93	-106.39
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300029028318	1	46	-2.0	-94.74	391.87	0.73	-94.01
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300029029242	0	45	-2.0	-96.43	389.36	-3.89	-100.32
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300029029250	0	43	-2.0	-98.54	372.43	2.99	-95.55
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300029029269	1	41	-2.0	-109.81	365.48	2.49	-107.32
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300029029307	1	42	-2.0	-92.23	367.33	1.52	-90.71
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C(N)C(Cl)=C1[O-]	REAL300029029337	0	43	-2.0	-105.58	377.35	0.51	-105.07
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300029029393	0	43	-2.0	-121.20	375.02	3.56	-117.64
CCC1=NC=C(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029029427	1	45	-2.0	-93.11	381.04	0.08	-93.03
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=COC(=O)[N-]1	REAL300029029453	1	37	-2.0	-92.51	325.72	-1.60	-94.11
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C[N-]C(=O)C(F)(F)F	REAL300029029562	0	40	-2.0	-94.49	363.59	-2.11	-96.60
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1=C([O-])N=C(N)S1	REAL300029029563	0	42	-2.0	-108.88	374.79	-2.92	-111.80
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C([O-])C=C1F	REAL300029029601	1	41	-2.0	-99.73	351.23	1.25	-98.48
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC([O-])=C2SC=CC2=C1	REAL300029029609	1	44	-2.0	-102.35	385.46	2.54	-99.81
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC([O-])=CC(=O)O1	REAL300029029612	0	40	-2.0	-94.15	351.35	0.69	-93.46
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300029029625	1	42	-2.0	-94.80	366.64	1.59	-93.21
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300029029631	0	40	-2.0	-97.51	360.77	0.50	-97.01
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1	REAL300029029635	0	43	-2.0	-94.91	382.53	-1.52	-96.43
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300029029651	0	42	-2.0	-109.84	369.48	-3.52	-113.36
CC1=CC=C([O-])C(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029029754	1	43	-2.0	-109.95	364.27	2.65	-107.30
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=C[N-]N=CC1=O	REAL300029029783	0	39	-2.0	-98.58	344.47	-0.18	-98.76
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=CC(F)=C1[O-]	REAL300029029795	0	41	-2.0	-108.31	354.95	2.06	-106.25
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=CC([O-])=C1F	REAL300029029932	1	41	-2.0	-104.93	355.19	1.27	-103.66
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300029030012	0	43	-2.0	-96.57	372.45	2.96	-93.61
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC(=O)N[N-]1	REAL300029030082	0	38	-2.0	-94.77	331.05	-1.69	-96.46
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(=O)[PH](C)(C)[O-]	REAL300029030089	0	43	-2.0	-96.38	365.55	-0.52	-96.90
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CN=C(CC2CC2)NC1=O	REAL300029030143	0	49	-2.0	-93.33	412.24	1.68	-91.65
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CN=C(CC2CC2)[N-]C1=O	REAL300029030143	1	49	-2.0	-93.33	412.24	1.68	-91.65
COCC1=NC=C(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029030161	0	46	-2.0	-94.48	393.97	-1.68	-96.16
COCC1=NC=C(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029030161	1	46	-2.0	-94.48	393.97	-1.68	-96.16
CC1=CC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)=CC([N+](=O)[O-])=C1[O-]	REAL300029030170	0	46	-2.0	-96.17	392.47	3.70	-92.47
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC(=O)N([O-])C=C1	REAL300029030221	0	41	-2.0	-109.77	352.90	1.70	-108.07
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL300029030260	0	41	-2.0	-105.68	363.56	1.36	-104.32
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NC(=O)N[N-]1	REAL300029030262	0	37	-2.0	-93.38	325.84	-2.40	-95.78
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=CN([O-])C1=O	REAL300029030275	0	41	-2.0	-128.54	360.44	1.93	-126.61
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CN1C=C(C#N)C(=O)[N-]C1=O	REAL300029030448	0	44	-2.0	-103.65	393.88	-1.23	-104.88
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC(F)=CC=C1O	REAL300029030519	0	41	-2.0	-108.86	355.16	2.06	-106.80
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC(F)=CC=C1[O-]	REAL300029030519	1	41	-2.0	-108.86	355.16	2.06	-106.80
CC1=CC=NC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)=C1O	REAL300029030619	0	43	-2.0	-109.15	363.29	2.73	-106.42
CC1=CC=NC(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300029030619	1	43	-2.0	-109.15	363.29	2.73	-106.42
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300029030678	0	41	-2.0	-103.89	371.17	2.57	-101.32
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CN=CC(O)=C1	REAL300029030801	0	40	-2.0	-95.59	343.70	-0.59	-96.18
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CN=CC([O-])=C1	REAL300029030801	1	40	-2.0	-95.59	343.70	-0.59	-96.18
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=CC(=S)N1[O-]	REAL300029030815	0	41	-2.0	-111.31	371.89	2.35	-108.96
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300029030975	1	49	-2.0	-110.76	412.07	1.26	-109.50
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300029030990	1	43	-2.0	-97.34	375.18	-0.36	-97.70
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300029030994	0	40	-2.0	-89.24	361.31	0.89	-88.35
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N	REAL300029031061	0	45	-2.0	-95.71	387.54	1.12	-94.59
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C([O-])C=C1Cl	REAL300029031068	1	41	-2.0	-97.49	359.35	1.67	-95.82
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300029031070	0	44	-2.0	-107.05	382.81	0.26	-106.79
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1=NC([O-])=CS1	REAL300029031082	0	40	-2.0	-117.70	359.98	-2.04	-119.74
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300029031108	0	43	-2.0	-104.69	375.25	-1.42	-106.11
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C(F)C=C1[O-]	REAL300029031113	0	41	-2.0	-112.19	350.96	2.74	-109.45
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1SC(=O)[N-]C1=O	REAL300029031253	0	41	-2.0	-95.83	367.25	-2.81	-98.64
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C([O-])C(F)=C1F	REAL300029031281	0	41	-2.0	-96.86	361.52	1.36	-95.50
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029031285	1	42	-2.0	-86.74	372.77	-0.15	-86.89
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300029031291	0	41	-2.0	-103.29	364.76	2.54	-100.75
CC1=CC(=O)C(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029031330	0	42	-2.0	-99.60	359.45	2.09	-97.51
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300029031334	0	46	-2.0	-112.44	391.10	1.66	-110.78
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=CC(=O)N1[O-]	REAL300029031366	0	41	-2.0	-110.06	360.78	1.72	-108.34
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300029031404	0	41	-2.0	-92.60	370.11	-0.36	-92.96
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300029031405	0	43	-2.0	-97.54	380.36	-5.79	-103.33
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300029031405	1	43	-2.0	-93.27	380.30	-5.73	-99.00
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300029031434	0	43	-2.0	-93.04	374.61	2.71	-90.33
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NN(C)C(=O)[N-]1	REAL300029031478	0	40	-2.0	-102.48	348.60	-1.55	-104.03
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300029031516	0	43	-2.0	-94.88	374.48	-0.99	-95.87
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300029031562	0	42	-2.0	-105.13	369.63	2.42	-102.71
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300029031702	0	41	-2.0	-96.35	361.38	-0.74	-97.09
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300029031743	0	41	-2.0	-97.45	371.37	2.57	-94.88
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C(F)C([O-])=C1	REAL300029031772	1	41	-2.0	-99.07	352.68	1.20	-97.87
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300029031781	1	46	-2.0	-114.52	389.76	2.48	-112.04
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300029031785	0	43	-2.0	-109.06	372.71	3.34	-105.72
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300029031789	0	43	-2.0	-100.36	376.93	2.66	-97.70
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300029031800	1	41	-2.0	-111.88	361.27	3.19	-108.69
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300029031824	0	43	-2.0	-91.84	374.67	1.80	-90.04
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029031913	0	39	-2.0	-90.65	344.69	-3.26	-93.91
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029031913	1	39	-2.0	-90.65	344.69	-3.26	-93.91
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300029031953	0	43	-2.0	-113.18	371.18	0.26	-112.92
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=C(O)C2=CC=CC=C2C=N1	REAL300029031995	0	46	-2.0	-114.15	387.88	4.42	-109.73
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300029031995	1	46	-2.0	-114.15	387.88	4.42	-109.73
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300029031996	0	37	-2.0	-97.15	346.30	-1.09	-98.24
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CN=C(N)NC1=O	REAL300029032016	0	41	-2.0	-95.38	357.25	-1.57	-96.95
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CN=C(N)[N-]C1=O	REAL300029032016	1	41	-2.0	-95.38	357.25	-1.57	-96.95
CC1=C(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300029032056	0	44	-2.0	-103.44	389.32	0.16	-103.28
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300029032146	0	41	-2.0	-95.63	368.66	1.81	-93.82
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029032152	0	42	-2.0	-93.56	366.59	0.67	-92.89
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029032152	1	42	-2.0	-93.56	366.59	0.67	-92.89
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300029032161	0	43	-2.0	-102.80	373.30	-0.13	-102.93
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300029032169	0	40	-2.0	-104.95	358.85	2.58	-102.37
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1=CC=C(O)C(Cl)=C1	REAL300029032176	0	44	-2.0	-104.86	391.13	2.79	-102.07
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300029032176	1	44	-2.0	-104.86	391.13	2.79	-102.07
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029032236	0	37	-2.0	-99.04	325.54	-1.59	-100.63
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=NC(=O)C(C)S1	REAL300029032277	0	40	-2.0	-98.21	357.40	-0.85	-99.06
CC1=C([O-])N=C(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)S1	REAL300029032277	1	40	-2.0	-98.21	357.40	-0.85	-99.06
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=C(O)C2=CC=CC=C2C=C1	REAL300029032349	0	47	-2.0	-119.19	393.94	4.34	-114.85
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300029032349	1	47	-2.0	-119.19	393.94	4.34	-114.85
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC2=CC=CC=C2C=C1O	REAL300029032358	0	47	-2.0	-123.34	395.00	4.28	-119.06
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300029032358	1	47	-2.0	-123.34	395.00	4.28	-119.06
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(=O)C1=CC=C(O)C=C1	REAL300029032407	0	43	-2.0	-93.31	377.19	1.27	-92.04
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300029032407	1	43	-2.0	-93.31	377.19	1.27	-92.04
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CN=C(C=N[O-])S1	REAL300029032439	0	40	-2.0	-107.04	364.15	-0.82	-107.86
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC(=O)C=C(Cl)N1	REAL300029032471	0	40	-2.0	-91.22	360.67	1.94	-89.28
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029032471	1	40	-2.0	-91.22	360.67	1.94	-89.28
CSC1=NC=C(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029032500	0	43	-2.0	-95.29	385.19	-0.40	-95.69
CSC1=NC=C(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029032500	1	43	-2.0	-95.29	385.19	-0.40	-95.69
CCN1[N-]C(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029032598	0	44	-2.0	-98.68	375.62	0.94	-97.74
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CNC(=O)C1=NC=CC=C1O	REAL300029032609	0	47	-2.0	-106.69	404.49	-0.06	-106.75
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CNC(=O)C1=NC=CC=C1[O-]	REAL300029032609	1	47	-2.0	-106.69	404.49	-0.06	-106.75
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC(=O)N(C)[N-]1	REAL300029032619	0	41	-2.0	-97.75	353.89	0.02	-97.73
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CSC1=NNC(=O)[N-]1	REAL300029032634	0	41	-2.0	-96.92	370.45	-2.09	-99.01
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1=CC(=O)NN1	REAL300029032800	0	41	-2.0	-104.55	354.13	-1.32	-105.87
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CC1=CC(=O)N[N-]1	REAL300029032800	1	41	-2.0	-104.55	354.13	-1.32	-105.87
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C(O)C(F)=C1	REAL300029032807	0	41	-2.0	-98.38	352.65	1.25	-97.13
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=C([O-])C(F)=C1	REAL300029032807	1	41	-2.0	-98.38	352.65	1.25	-97.13
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300029032868	0	41	-2.0	-98.66	358.85	1.33	-97.33
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300029032873	0	40	-2.0	-110.81	360.01	0.51	-110.30
CC1=C(CC(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300029032894	0	47	-2.0	-101.73	396.95	1.09	-100.64
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)CCC(=O)C1=CC=C([O-])C=C1	REAL300029032903	1	49	-2.0	-96.26	416.57	2.91	-93.35
CC1=CN=C(C(=O)N(C)C(C)CCNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300029032944	1	43	-2.0	-111.03	364.42	2.69	-108.34
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC([O-])=CS1	REAL300029032982	0	38	-2.0	-107.63	337.95	0.03	-107.60
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CN([O-])C(=O)C=C1	REAL300029033006	0	41	-2.0	-110.05	361.30	1.95	-108.10
CC(CCNC(=O)C1=CC(=O)[N-]O1)N(C)C(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300029033014	0	41	-2.0	-99.95	366.97	3.28	-96.67
CC(CCNC(=O)C1=CN([O-])C(=O)NC1=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029033062	0	41	-2.0	-95.04	356.55	-0.34	-95.38
CC(CCNC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)N(C)C(=O)C1=CC(=O)[N-]O1	REAL300029033102	1	42	-2.0	-86.47	367.87	0.28	-86.19
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC1CN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300029034026	0	44	-2.0	-94.04	339.32	-0.87	-94.91
O=C(CN1C(=O)[N-]NC1=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034087	0	46	-2.0	-92.74	357.31	0.51	-92.23
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC1CN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300029034515	0	46	-2.0	-102.93	358.39	4.74	-98.19
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC1CN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300029034603	0	46	-2.0	-94.29	356.54	-0.06	-94.35
O=C(C1=COC(=O)[N-]1)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034614	1	42	-2.0	-97.84	322.81	1.42	-96.42
CCN1[N-]C(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029034738	0	49	-2.0	-95.93	372.23	3.94	-91.99
O=C(CC1=CC(=O)N[N-]1)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034745	1	46	-2.0	-97.17	351.32	1.76	-95.41
CN1N=C(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300029034772	0	45	-2.0	-98.19	345.15	1.42	-96.77
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC1CN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300029034835	0	44	-2.0	-89.85	338.04	2.70	-87.15
O=C(C1=CC(=O)N[N-]1)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034906	0	43	-2.0	-93.20	327.68	1.31	-91.89
C[PH](C)([O-])C(=O)C(=O)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029034911	0	48	-2.0	-85.72	367.41	2.18	-83.54
CN1[N-]C(CC(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029034913	0	49	-2.0	-100.10	375.63	3.36	-96.74
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC1CN(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300029034936	0	46	-2.0	-132.25	353.13	4.62	-127.63
CC1=C([O-])N=C(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029034957	1	45	-2.0	-106.15	354.66	2.12	-104.03
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC1CN(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300029034975	0	46	-2.0	-111.82	359.08	4.83	-106.99
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC1CN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300029035000	0	46	-2.0	-134.49	353.02	4.53	-129.96
O=C(CC1=NC([O-])=CS1)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029035119	0	45	-2.0	-109.23	358.68	0.88	-108.35
CC1=CC(=O)C(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300029035289	0	47	-2.0	-98.23	356.50	5.00	-93.23
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC1CN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300029035300	0	42	-2.0	-96.61	322.48	0.64	-95.97
CN1[N-]C(C(=O)N2CC3CCCC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029035501	0	46	-2.0	-95.29	350.41	3.01	-92.28
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC1CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300029035607	0	44	-2.0	-92.48	342.16	-0.27	-92.75
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC1CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300029035607	1	44	-2.0	-92.48	342.16	-0.27	-92.75
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=NC=CC=C1[O-])C2	REAL300029035962	1	45	-2.0	-96.20	340.35	5.36	-90.84
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300029036059	0	44	-2.0	-95.08	339.51	-0.63	-95.71
O=C(CN1C(=O)[N-]NC1=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029036155	0	46	-2.0	-96.65	360.43	0.82	-95.83
N#CC1=CC([O-])=CC(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029036942	1	47	-2.0	-97.24	363.50	4.36	-92.88
O=C(C1=COC(=O)[N-]1)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037000	1	42	-2.0	-87.11	324.01	1.84	-85.27
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CC=C([O-])C=C1F)C2	REAL300029037070	1	46	-2.0	-94.51	348.22	4.06	-90.45
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CC([O-])=CC(=O)O1)C2	REAL300029037075	0	45	-2.0	-99.45	348.84	3.57	-95.88
N#CC1=CC=C(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1[O-]	REAL300029037077	1	47	-2.0	-101.35	362.86	4.42	-96.93
CC1=CC=C([O-])C(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300029037128	1	48	-2.0	-97.30	360.51	5.92	-91.38
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=C[N-]N=CC1=O)C2	REAL300029037140	0	44	-2.0	-88.69	344.53	2.83	-85.86
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CC=CC(F)=C1[O-])C2	REAL300029037145	0	46	-2.0	-100.86	347.12	5.56	-95.30
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CC=CC([O-])=C1F)C2	REAL300029037206	1	46	-2.0	-98.98	347.43	4.06	-94.92
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)N[N-]1)C2	REAL300029037269	0	43	-2.0	-90.91	327.48	1.42	-89.49
C[PH](C)([O-])C(=O)C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037274	0	48	-2.0	-86.09	365.22	2.39	-83.70
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300029037326	0	46	-2.0	-103.67	348.53	4.53	-99.14
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=NC(=O)N[N-]1)C2	REAL300029037343	0	42	-2.0	-94.86	324.66	0.81	-94.05
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300029037347	0	46	-2.0	-102.08	348.05	4.30	-97.78
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CC(F)=CC=C1O)C2	REAL300029037449	0	46	-2.0	-92.93	346.57	5.55	-87.38
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CC(F)=CC=C1[O-])C2	REAL300029037449	1	46	-2.0	-92.93	346.57	5.55	-87.38
CC1=CC=NC(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1O	REAL300029037493	0	48	-2.0	-96.48	359.22	6.06	-90.42
CC1=CC=NC(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1[O-]	REAL300029037493	1	48	-2.0	-96.48	359.22	6.06	-90.42
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CN=CC(O)=C1)C2	REAL300029037556	0	45	-2.0	-85.85	345.03	2.35	-83.50
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CN=CC([O-])=C1)C2	REAL300029037556	1	45	-2.0	-85.85	345.03	2.35	-83.50
O=C(CC1=NC([O-])=CS1)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029037647	0	45	-2.0	-107.35	360.26	0.98	-106.37
CC1=CC(=O)C(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300029037749	0	47	-2.0	-96.17	356.67	5.23	-90.94
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300029037762	0	46	-2.0	-110.74	346.33	5.46	-105.28
N#CC1=CC=C(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029037778	0	46	-2.0	-94.54	370.53	2.67	-91.87
CN1N=C(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300029037803	0	45	-2.0	-97.95	345.56	1.63	-96.32
N#CC1=CC=C([O-])C(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029037839	0	47	-2.0	-90.44	361.03	5.89	-84.55
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CC=C(F)C([O-])=C1)C2	REAL300029037924	1	46	-2.0	-105.95	348.88	4.05	-101.90
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300029037971	0	44	-2.0	-93.10	342.54	0.25	-92.85
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300029037971	1	44	-2.0	-93.10	342.54	0.25	-92.85
NC1=NC=C(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300029038002	0	46	-2.0	-87.27	346.08	1.12	-86.15
NC1=NC=C(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029038002	1	46	-2.0	-87.27	346.08	1.12	-86.15
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038086	0	42	-2.0	-90.63	322.07	1.25	-89.38
CC1SC(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300029038100	0	45	-2.0	-94.71	355.74	2.41	-92.30
CC1=C([O-])N=C(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029038100	1	45	-2.0	-94.71	355.74	2.41	-92.30
O=C(C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C(O)C=C1	REAL300029038171	0	48	-2.0	-87.68	379.47	4.16	-83.52
O=C(C(=O)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([O-])C=C1	REAL300029038171	1	48	-2.0	-87.68	379.47	4.16	-83.52
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300029038203	0	46	-2.0	-87.60	361.45	0.01	-87.59
CCN1[N-]C(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029038245	0	49	-2.0	-93.58	374.30	3.90	-89.68
CN1[N-]C(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029038257	0	46	-2.0	-94.78	350.80	3.18	-91.60
O=C(CC1=CC(=O)NN1)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038327	0	46	-2.0	-95.15	356.95	1.69	-93.46
O=C(CC1=CC(=O)N[N-]1)N1CC2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029038327	1	46	-2.0	-95.15	356.95	1.69	-93.46
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CC=C(O)C(F)=C1)C2	REAL300029038331	0	46	-2.0	-99.08	348.85	4.08	-95.00
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CC=C([O-])C(F)=C1)C2	REAL300029038331	1	46	-2.0	-99.08	348.85	4.08	-95.00
CC1=CN=C(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(O)=C1	REAL300029038389	0	48	-2.0	-101.23	361.44	6.08	-95.15
CC1=CN=C(C(=O)N2CC3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300029038389	1	48	-2.0	-101.23	361.44	6.08	-95.15
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CC([O-])=CS1)C2	REAL300029038401	0	43	-2.0	-95.72	333.24	2.77	-92.95
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300029038412	0	46	-2.0	-100.39	358.96	4.86	-95.53
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC(O)C1	REAL300029040266	1	45	-2.0	-128.71	376.55	-1.72	-130.43
O=C(CCCN1C(=O)[N-]NC1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029040932	0	46	-2.0	-101.54	382.71	-3.65	-105.19
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041158	0	44	-2.0	-101.94	370.47	-6.36	-108.30
CC(=O)[N-]C1=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=CS1	REAL300029041159	1	42	-2.0	-95.14	357.87	-2.05	-97.19
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041326	1	45	-2.0	-98.10	373.27	-2.19	-100.29
COC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)NC(=O)[N-]C1=O	REAL300029041440	1	43	-2.0	-118.85	364.61	-6.72	-125.57
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC(O)C1	REAL300029041561	0	38	-2.0	-109.07	320.24	-6.21	-115.28
O=C(CN1C(=O)[N-]NC1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029041682	0	40	-2.0	-110.48	340.23	-4.91	-115.39
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC(O)C1	REAL300029042571	0	40	-2.0	-114.69	326.88	-0.79	-115.48
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC(O)C1	REAL300029042740	0	40	-2.0	-112.32	341.72	-5.45	-117.77
O=C(C1=COC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042753	1	36	-2.0	-97.19	302.32	-3.47	-100.66
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=CC1=O	REAL300029042987	0	43	-2.0	-106.26	351.61	-1.49	-107.75
O=C(CC1=CC(=O)N[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029042995	1	40	-2.0	-107.94	332.29	-3.77	-111.71
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CC(=S)N2[O-])CC(O)C1	REAL300029043019	0	40	-2.0	-105.45	337.54	0.00	-105.45
O=C(CC1SC(=O)[N-]C1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043034	0	40	-2.0	-99.62	348.84	-5.26	-104.88
CN1N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)[N-]C1=O	REAL300029043053	0	39	-2.0	-107.46	322.95	-3.74	-111.20
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C[N-]N=CC2=O)CC(O)C1	REAL300029043175	0	38	-2.0	-114.18	324.58	-2.71	-116.89
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)CC(O)C1	REAL300029043215	0	42	-2.0	-109.50	343.20	-2.33	-111.83
O=C(C1=CC(=O)N[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043316	0	37	-2.0	-101.92	307.11	-4.09	-106.01
C[PH](C)([O-])C(=O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043321	0	42	-2.0	-99.79	345.23	-2.98	-102.77
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CN([O-])C2=O)CC(O)C1	REAL300029043370	0	40	-2.0	-150.48	340.93	-0.57	-151.05
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C(=O)N1	REAL300029043391	0	42	-2.0	-128.35	367.03	-2.86	-131.21
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C(=O)[N-]1	REAL300029043391	1	42	-2.0	-128.35	367.03	-2.86	-131.21
CC1SC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=NC1=O	REAL300029043416	0	39	-2.0	-96.33	334.65	-2.77	-99.10
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)S1	REAL300029043416	1	39	-2.0	-96.33	334.65	-2.77	-99.10
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(=O)C=C(Cl)N2)CC(O)C1	REAL300029043437	0	39	-2.0	-98.44	334.44	-0.09	-98.53
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC(O)C1	REAL300029043437	1	39	-2.0	-98.44	334.44	-0.09	-98.53
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC(O)C1	REAL300029043459	0	40	-2.0	-118.54	341.55	-0.56	-119.10
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC(O)C1	REAL300029043519	0	40	-2.0	-102.37	326.46	-0.85	-103.22
NC1=NC([O-])=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)S1	REAL300029043692	0	41	-2.0	-130.83	355.84	-5.40	-136.23
O=C(CC1=NC([O-])=CS1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029043755	0	39	-2.0	-120.85	341.10	-4.50	-125.35
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C(=O)N1	REAL300029043781	0	44	-2.0	-99.58	350.76	-1.35	-100.93
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C(=O)[N-]1	REAL300029043781	1	44	-2.0	-99.58	350.76	-1.35	-100.93
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)CC(O)C1	REAL300029043875	0	36	-2.0	-103.90	321.89	-3.82	-107.72
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C(=O)N1	REAL300029043986	0	45	-2.0	-94.83	362.95	-4.39	-99.22
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C(=O)[N-]1	REAL300029043986	1	45	-2.0	-94.83	362.95	-4.39	-99.22
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=N[N-]1	REAL300029044091	0	41	-2.0	-110.10	337.38	-0.34	-110.44
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NC(=O)N[N-]2)CC(O)C1	REAL300029044110	0	36	-2.0	-95.02	300.23	-4.00	-99.02
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)CC(O)C1	REAL300029044135	0	41	-2.0	-101.53	351.92	-1.60	-103.13
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CC(O)C1	REAL300029044135	1	41	-2.0	-101.53	351.92	-1.60	-103.13
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN=C(C=N[O-])S2)CC(O)C1	REAL300029044276	0	39	-2.0	-111.69	337.07	-3.28	-114.97
CN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=CC1=O	REAL300029044520	0	40	-2.0	-105.14	329.79	-2.39	-107.53
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044532	0	40	-2.0	-100.25	348.61	-4.54	-104.79
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C(=S)NC(=O)N1	REAL300029044533	0	42	-2.0	-127.28	362.24	-3.22	-130.50
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C(=S)[N-]C(=O)N1	REAL300029044533	1	42	-2.0	-127.28	362.24	-3.22	-130.50
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC(O)C1	REAL300029044752	0	38	-2.0	-97.87	321.68	-6.14	-104.01
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC(O)C1	REAL300029044752	1	38	-2.0	-92.98	317.45	-4.71	-97.69
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044825	0	42	-2.0	-100.67	358.54	-8.23	-108.90
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044825	1	42	-2.0	-103.88	361.35	-8.22	-112.10
O=C(CN1[N-]C(=O)C=CC1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029044968	0	42	-2.0	-108.34	356.39	-3.88	-112.22
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NC=CC=C2[O-])CC(O)C1	REAL300029045225	1	39	-2.0	-119.96	318.71	-0.07	-120.03
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029045348	1	45	-2.0	-98.10	373.27	-2.19	-100.29
CC(=O)[N-]C1=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=CS1	REAL300029045360	1	42	-2.0	-95.14	357.87	-2.05	-97.19
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC(O)C1	REAL300029045394	0	38	-2.0	-109.07	320.24	-6.21	-115.28
COC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)NC(=O)[N-]C1=O	REAL300029045449	1	43	-2.0	-118.85	364.61	-6.72	-125.57
O=C(CN1C(=O)[N-]NC1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029045626	0	40	-2.0	-110.48	340.23	-4.91	-115.39
O=C(CCCN1C(=O)[N-]NC1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029046653	0	46	-2.0	-101.54	382.71	-3.65	-105.19
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC(O)C1	REAL300029046871	1	45	-2.0	-128.71	376.55	-1.72	-130.43
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047761	0	44	-2.0	-101.94	370.47	-6.36	-108.30
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)CC(O)C1	REAL300029047771	0	42	-2.0	-112.57	354.33	0.48	-112.09
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC(O)C1	REAL300029047785	1	40	-2.0	-121.22	348.64	-0.44	-121.66
N#CC1=CC([O-])=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=C1	REAL300029047817	1	41	-2.0	-92.53	341.81	-1.02	-93.55
NC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C([O-])=C1Cl	REAL300029047844	0	42	-2.0	-126.93	360.47	-2.43	-129.36
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])CC(O)C1	REAL300029047908	0	42	-2.0	-117.35	344.48	1.41	-115.94
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C(=O)[N-]1	REAL300029047941	1	44	-2.0	-99.58	350.76	-1.35	-100.93
O=C(C1=COC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029047966	1	36	-2.0	-97.19	302.32	-3.47	-100.66
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])CC(O)C1	REAL300029048048	0	42	-2.0	-99.26	357.17	-0.42	-99.68
O=C(C[N-]C(=O)C(F)(F)F)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048066	0	39	-2.0	-98.11	341.92	-4.55	-102.66
NC1=NC([O-])=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)S1	REAL300029048067	0	41	-2.0	-130.83	355.84	-5.40	-136.23
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C(F)C=C([O-])C=C2F)CC(O)C1	REAL300029048078	0	40	-2.0	-94.86	341.28	-1.01	-95.87
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C([O-])C=C2F)CC(O)C1	REAL300029048101	1	40	-2.0	-117.89	338.55	-1.16	-119.05
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC(O)C1	REAL300029048110	0	39	-2.0	-99.26	327.14	-1.66	-100.92
N#CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C=C1[O-]	REAL300029048121	1	41	-2.0	-108.29	348.55	-0.93	-109.22
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])CC(O)C1	REAL300029048125	0	39	-2.0	-112.54	331.52	-1.24	-113.78
N#CC1=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=C(N)[N-]C1=O	REAL300029048132	0	42	-2.0	-113.13	363.41	-4.03	-117.16
O=C(CN1N=CC(=O)[N-]C1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048149	0	41	-2.0	-115.69	350.60	-6.00	-121.69
CC1=CC=C([O-])C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=N1	REAL300029048239	1	42	-2.0	-119.46	337.93	0.72	-118.74
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C[N-]N=CC2=O)CC(O)C1	REAL300029048265	0	38	-2.0	-114.18	324.58	-2.71	-116.89
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CC(F)=C2[O-])CC(O)C1	REAL300029048279	0	40	-2.0	-117.67	324.68	0.17	-117.50
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CC([O-])=C2F)CC(O)C1	REAL300029048406	1	40	-2.0	-112.54	324.99	-1.30	-113.84
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)CC(O)C1	REAL300029048487	0	42	-2.0	-107.16	348.70	0.49	-106.67
O=C(C1=CC(=O)N[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048553	0	37	-2.0	-101.92	307.11	-4.09	-106.01
C[PH](C)([O-])C(=O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029048561	0	42	-2.0	-99.79	345.23	-2.98	-102.77
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C(=O)N1	REAL300029048629	0	45	-2.0	-94.83	362.95	-4.39	-99.22
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C(=O)[N-]1	REAL300029048629	1	45	-2.0	-94.83	362.95	-4.39	-99.22
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC(O)C1	REAL300029048690	0	40	-2.0	-118.54	341.55	-0.56	-119.10
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NNC(=O)[N-]2)CC(O)C1	REAL300029048725	0	36	-2.0	-103.96	300.19	-5.41	-109.37
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C(O)C=CC=C2Cl)CC(O)C1	REAL300029048730	0	40	-2.0	-98.70	336.03	-0.82	-99.52
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C([O-])C=CC=C2Cl)CC(O)C1	REAL300029048730	1	40	-2.0	-98.70	336.03	-0.82	-99.52
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CN([O-])C2=O)CC(O)C1	REAL300029048738	0	40	-2.0	-150.48	340.93	-0.57	-151.05
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C(F)C=CC(O)=C2F)CC(O)C1	REAL300029048776	0	40	-2.0	-103.72	347.92	-1.01	-104.73
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C(F)C=CC([O-])=C2F)CC(O)C1	REAL300029048776	1	40	-2.0	-103.72	347.92	-1.01	-104.73
NC1=CC(=O)[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=N1	REAL300029048899	0	40	-2.0	-108.97	332.57	-4.14	-113.11
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC(O)C1	REAL300029048969	0	40	-2.0	-112.90	344.37	-0.79	-113.69
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(F)=CC=C2[O-])CC(O)C1	REAL300029048976	1	40	-2.0	-120.32	338.33	-0.89	-121.21
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=C1[O-]	REAL300029049070	1	42	-2.0	-117.97	340.40	0.65	-117.32
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])CC(O)C1	REAL300029049129	0	40	-2.0	-127.89	354.26	-0.36	-128.25
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN=CC([O-])=C2)CC(O)C1	REAL300029049250	1	39	-2.0	-102.44	315.33	-3.25	-105.69
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CC(=S)N2[O-])CC(O)C1	REAL300029049263	0	40	-2.0	-105.45	337.54	0.00	-105.45
NC1=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=CC([O-])=C1Cl	REAL300029049424	1	42	-2.0	-97.70	349.43	-2.90	-100.60
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC(O)C1	REAL300029049429	0	39	-2.0	-94.71	334.38	-1.11	-95.82
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C([O-])C=C2Cl)CC(O)C1	REAL300029049494	1	40	-2.0	-115.68	347.18	-0.73	-116.41
N#CC1=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=C([O-])C=C1N	REAL300029049497	0	43	-2.0	-114.39	353.38	-1.57	-115.96
O=C(CC1=NC([O-])=CS1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049509	0	39	-2.0	-120.85	341.10	-4.50	-125.35
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C([O-])C=CC=C2F)CC(O)C1	REAL300029049531	0	40	-2.0	-110.37	333.77	0.18	-110.19
O=C(CN1[N-]C(=O)C=CC1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049534	0	42	-2.0	-108.34	356.39	-3.88	-112.22
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C(F)C=C2[O-])CC(O)C1	REAL300029049536	0	40	-2.0	-125.98	338.30	-0.86	-126.84
CC1=CC=C(F)C([O-])=C1C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049584	0	43	-2.0	-130.91	360.96	-0.43	-131.34
O=C(CC1SC(=O)[N-]C1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049674	0	40	-2.0	-99.62	348.84	-5.26	-104.88
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)CC(O)C1	REAL300029049707	0	40	-2.0	-120.96	344.64	-1.09	-122.05
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CC(O)C1	REAL300029049710	1	41	-2.0	-112.11	357.16	-2.60	-114.71
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])CC(O)C1	REAL300029049716	0	40	-2.0	-99.07	342.91	-0.61	-99.68
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=N[N-]1	REAL300029049752	0	41	-2.0	-110.10	337.38	-0.34	-110.44
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049758	0	45	-2.0	-119.26	372.57	-0.80	-120.06
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC(O)C1	REAL300029049790	0	40	-2.0	-102.37	326.46	-0.85	-103.22
N#CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C(=O)[N-]1	REAL300029049836	0	40	-2.0	-93.28	335.52	-1.85	-95.13
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049837	0	42	-2.0	-100.67	358.54	-8.23	-108.90
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029049837	1	42	-2.0	-103.88	361.35	-8.22	-112.10
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])CC(O)C1	REAL300029049867	0	42	-2.0	-102.94	356.53	0.24	-102.70
CN1N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)[N-]C1=O	REAL300029049911	0	39	-2.0	-107.46	322.95	-3.74	-111.20
[N-]=[N+]=NC1=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=CC=C1[O-]	REAL300029049946	0	42	-2.0	-111.99	356.22	-3.53	-115.52
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C(F)C=CC(O)=C2O)CC(O)C1	REAL300029049989	0	41	-2.0	-105.77	352.29	-2.91	-108.68
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC(O)C1	REAL300029049989	1	41	-2.0	-105.77	352.29	-2.91	-108.68
N#CC1=CC=C([O-])C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=C1	REAL300029050000	0	41	-2.0	-115.69	352.70	-0.50	-116.19
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC(O)C1	REAL300029050132	0	40	-2.0	-94.95	330.14	-3.42	-98.37
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])CC(O)C1	REAL300029050169	0	40	-2.0	-112.76	342.17	0.71	-112.05
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC(O)C1	REAL300029050201	1	40	-2.0	-123.39	334.61	-1.31	-124.70
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)CC(O)C1	REAL300029050210	1	45	-2.0	-132.97	360.44	0.62	-132.35
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])CC(O)C1	REAL300029050213	0	42	-2.0	-124.39	360.06	-0.26	-124.65
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])CC(O)C1	REAL300029050216	0	42	-2.0	-111.93	360.09	-0.29	-112.22
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])CC(O)C1	REAL300029050229	1	40	-2.0	-124.97	348.62	-0.42	-125.39
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)CC(O)C1	REAL300029050250	0	42	-2.0	-92.24	349.17	-0.75	-92.99
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC(O)C1	REAL300029050333	0	38	-2.0	-97.87	321.68	-6.14	-104.01
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC(O)C1	REAL300029050333	1	38	-2.0	-92.98	317.45	-4.71	-97.69
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)CC(O)C1	REAL300029050367	0	42	-2.0	-109.50	343.20	-2.33	-111.83
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC(O)C1	REAL300029050410	1	45	-2.0	-119.13	363.56	2.17	-116.96
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)CC(O)C1	REAL300029050411	0	36	-2.0	-103.90	321.89	-3.82	-107.72
NC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C(=O)[N-]1	REAL300029050435	1	40	-2.0	-99.98	324.17	-3.00	-102.98
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)[N-]C(=O)C(C#N)=C1	REAL300029050467	0	43	-2.0	-123.12	370.08	-2.18	-125.30
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)CC(O)C1	REAL300029050489	0	40	-2.0	-132.54	344.60	-1.11	-133.65
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC(O)C1	REAL300029050548	0	40	-2.0	-96.52	343.15	-0.74	-97.26
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CC(O)C1	REAL300029050554	1	41	-2.0	-101.53	351.92	-1.60	-103.13
COC1=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=CC(=O)[N-]1	REAL300029050560	0	42	-2.0	-105.25	351.39	-5.69	-110.94
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C3N[N-]N=C3C2=O)CC(O)C1	REAL300029050563	0	42	-2.0	-126.35	355.55	-2.60	-128.95
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])CC(O)C1	REAL300029050576	0	39	-2.0	-108.13	333.16	0.49	-107.64
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050582	1	43	-2.0	-105.82	372.18	0.31	-105.51
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)CC(O)C1	REAL300029050623	0	40	-2.0	-118.62	344.41	-0.83	-119.45
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=NC=C2[O-])CC(O)C1	REAL300029050634	0	39	-2.0	-126.02	327.16	-2.90	-128.92
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029050644	0	36	-2.0	-103.79	304.64	-4.12	-107.91
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)S1	REAL300029050679	1	39	-2.0	-96.33	334.65	-2.77	-99.10
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)CC(O)C1	REAL300029050730	1	46	-2.0	-126.92	377.88	1.24	-125.68
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)CC(O)C1	REAL300029050750	1	46	-2.0	-127.19	364.59	2.48	-124.71
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])CC(O)C1	REAL300029050758	1	46	-2.0	-138.07	377.96	1.42	-136.65
O=C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1)C1=CC=C([O-])C=C1	REAL300029050810	1	42	-2.0	-99.89	345.19	-0.89	-100.78
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN=C(C=N[O-])S2)CC(O)C1	REAL300029050847	0	39	-2.0	-111.69	337.07	-3.28	-114.97
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC(O)C1	REAL300029050882	1	39	-2.0	-98.44	334.44	-0.09	-98.53
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C(=O)[N-]1	REAL300029050908	1	42	-2.0	-128.35	367.03	-2.86	-131.21
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC(O)C1	REAL300029050916	0	40	-2.0	-112.32	341.72	-5.45	-117.77
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=CC1=O	REAL300029050997	0	43	-2.0	-106.26	351.61	-1.49	-107.75
CN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)=CC1=O	REAL300029051019	0	40	-2.0	-105.14	329.79	-2.39	-107.53
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029051036	0	40	-2.0	-100.25	348.61	-4.54	-104.79
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C(=S)[N-]C(=O)N1	REAL300029051038	1	42	-2.0	-127.28	362.24	-3.22	-130.50
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)CC(O)C1	REAL300029051109	1	45	-2.0	-103.38	375.21	-0.74	-104.12
O=C(CC1=CC(=O)N[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC(O)C1	REAL300029051215	1	40	-2.0	-107.94	332.29	-3.77	-111.71
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC(O)C1	REAL300029051221	1	40	-2.0	-115.42	334.57	-1.28	-116.70
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC(O)C1	REAL300029051283	0	40	-2.0	-99.53	332.61	-1.22	-100.75
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])CC(O)C1	REAL300029051289	0	39	-2.0	-124.13	343.34	-2.42	-126.55
CC1=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C(=O)N(C)[N-]1	REAL300029051310	0	46	-2.0	-118.02	375.19	-1.36	-119.38
CC1=CN=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(O)C2)C([O-])=C1	REAL300029051360	1	42	-2.0	-121.98	340.15	0.56	-121.42
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])CC(O)C1	REAL300029051375	0	41	-2.0	-100.67	357.17	-3.10	-103.77
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC([O-])=CS2)CC(O)C1	REAL300029051396	0	37	-2.0	-109.17	313.65	-2.75	-111.92
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC(O)C1	REAL300029051418	0	40	-2.0	-114.69	326.88	-0.79	-115.48
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])CC(O)C1	REAL300029051424	0	40	-2.0	-113.91	352.20	-0.42	-114.33
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC(O)C1	REAL300029051476	0	40	-2.0	-94.95	330.14	-3.42	-98.37
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CC(O)C1	REAL300029051511	1	41	-2.0	-112.11	357.16	-2.60	-114.71
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)CC1	REAL300029052378	0	43	-2.0	-92.61	365.69	-5.03	-97.64
O=C(CN1C(=O)[N-]NC1=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052434	0	45	-2.0	-93.32	376.18	-3.50	-96.82
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CN([O-])C(=O)C=C3)C2)CC1	REAL300029052841	0	45	-2.0	-103.89	374.57	0.81	-103.08
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)CC1	REAL300029052923	0	45	-2.0	-86.11	374.81	-4.19	-90.30
O=C(C1=COC(=O)[N-]1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029052934	1	41	-2.0	-86.62	349.17	-3.46	-90.08
CCN1[N-]C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC1=O	REAL300029053056	0	48	-2.0	-94.04	392.78	-0.64	-94.68
O=C(CC1=CC(=O)N[N-]1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053063	1	45	-2.0	-94.98	371.18	-2.46	-97.44
CN1N=C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)[N-]C1=O	REAL300029053086	0	44	-2.0	-93.94	371.81	-2.78	-96.72
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=C[N-]N=CC3=O)C2)CC1	REAL300029053148	0	43	-2.0	-90.31	356.92	-0.14	-90.45
O=C(C1=CC(=O)N[N-]1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053218	0	42	-2.0	-87.24	354.01	-2.89	-90.13
C[PH](C)([O-])C(=O)C(=O)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053223	0	47	-2.0	-86.75	386.50	-1.71	-88.46
O=C(CCC1=NC(=O)NN1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053244	0	47	-2.0	-100.96	386.29	-3.63	-104.59
O=C(CCC1=NC(=O)[N-]N1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053244	1	47	-2.0	-100.96	386.29	-3.63	-104.59
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CC=CN([O-])C3=O)C2)CC1	REAL300029053247	0	45	-2.0	-111.69	383.58	1.02	-110.67
CC1SC(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=NC1=O	REAL300029053268	0	44	-2.0	-92.57	381.29	-2.61	-95.18
CC1=C([O-])N=C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)S1	REAL300029053268	1	44	-2.0	-92.57	381.29	-2.61	-95.18
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CC(=O)N([O-])C=C3)C2)CC1	REAL300029053285	0	45	-2.0	-104.24	374.59	0.71	-103.53
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=CC=CC(=O)N3[O-])C2)CC1	REAL300029053310	0	45	-2.0	-121.28	372.74	1.75	-119.53
O=C(CC1=NC([O-])=CS1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053425	0	44	-2.0	-105.46	377.02	-3.17	-108.63
CC1=CC(=O)C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=N[N-]1	REAL300029053588	0	46	-2.0	-91.80	382.88	0.83	-90.97
O=C(C1=NNC(=O)[N-]1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029053598	0	41	-2.0	-90.93	349.05	-4.43	-95.36
CN1[N-]C(C(=O)N2CC(N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC1=O	REAL300029053785	0	45	-2.0	-93.32	370.97	-1.58	-94.90
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)CC1	REAL300029053885	0	43	-2.0	-88.57	367.22	-5.74	-94.31
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)CC1	REAL300029053885	1	43	-2.0	-89.34	361.31	-5.12	-94.46
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=NC=CC=C3[O-])CC2)C1	REAL300029054237	1	44	-2.0	-100.48	368.97	0.59	-99.89
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=NNC(=O)[N-]C3=O)CC2)C1	REAL300029054337	0	43	-2.0	-92.25	367.08	-4.87	-97.12
O=C(CN1C(=O)[N-]NC1=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029054436	0	45	-2.0	-98.04	377.05	-3.49	-101.53
N#CC1=CC([O-])=CC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300029055309	1	46	-2.0	-85.97	393.54	0.71	-85.26
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=COC(=O)[N-]3)CC2)C1	REAL300029055378	1	41	-2.0	-89.69	343.12	-2.70	-92.39
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC=C([O-])C=C3F)CC2)C1	REAL300029055450	1	45	-2.0	-95.39	376.03	0.26	-95.13
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC([O-])=CC(=O)O3)CC2)C1	REAL300029055454	0	44	-2.0	-88.86	374.92	-0.37	-89.23
N#CC1=CC=C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C=C1[O-]	REAL300029055457	1	46	-2.0	-95.30	392.79	0.77	-94.53
CC1=CC=C([O-])C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=N1	REAL300029055514	1	47	-2.0	-106.16	384.47	0.91	-105.25
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)C1	REAL300029055525	0	43	-2.0	-82.96	353.77	-1.39	-84.35
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC=CC(F)=C3[O-])CC2)C1	REAL300029055532	0	45	-2.0	-104.56	380.17	1.37	-103.19
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC=CC([O-])=C3F)CC2)C1	REAL300029055601	1	45	-2.0	-101.93	380.40	0.46	-101.47
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC(=O)N[N-]3)CC2)C1	REAL300029055673	0	42	-2.0	-87.19	354.44	-2.51	-89.70
C[PH](C)([O-])C(=O)C(=O)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029055679	0	47	-2.0	-86.60	382.12	-1.85	-88.45
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC(=O)N([O-])C=C3)CC2)C1	REAL300029055734	0	45	-2.0	-103.07	382.15	1.02	-102.05
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=NC(=O)N[N-]3)CC2)C1	REAL300029055751	0	41	-2.0	-85.08	348.89	-3.14	-88.22
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC=CN([O-])C3=O)CC2)C1	REAL300029055756	0	45	-2.0	-101.34	370.43	0.55	-100.79
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC(F)=CC=C3[O-])CC2)C1	REAL300029055870	1	45	-2.0	-96.06	380.58	0.90	-95.16
CC1=CC=NC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1[O-]	REAL300029055913	1	47	-2.0	-100.32	389.29	1.29	-99.03
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)C1	REAL300029055973	1	44	-2.0	-87.43	369.66	-1.36	-88.79
O=C(CC1=NC([O-])=CS1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056069	0	44	-2.0	-107.73	384.04	-2.85	-110.58
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=C([O-])C=CC=C3F)CC2)C1	REAL300029056081	0	45	-2.0	-102.53	378.56	0.41	-102.12
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC=C(F)C=C3[O-])CC2)C1	REAL300029056082	0	45	-2.0	-104.66	375.79	0.62	-104.04
CC1=CC(=O)C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=N[N-]1	REAL300029056181	0	46	-2.0	-94.59	378.13	0.73	-93.86
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC=CC(=O)N3[O-])CC2)C1	REAL300029056197	0	45	-2.0	-100.44	377.27	1.17	-99.27
N#CC1=CC=C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C(=O)[N-]1	REAL300029056216	0	45	-2.0	-83.53	387.21	-1.31	-84.84
CN1N=C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)[N-]C1=O	REAL300029056245	0	44	-2.0	-93.02	371.58	-2.36	-95.38
N#CC1=CC=C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C([O-])=C1	REAL300029056278	0	46	-2.0	-96.51	396.05	1.27	-95.24
N#CC1=CC=C([O-])C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300029056284	0	46	-2.0	-93.40	395.01	1.25	-92.15
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC=C(F)C([O-])=C3)CC2)C1	REAL300029056378	1	45	-2.0	-99.43	378.87	0.39	-99.04
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=NC(=O)[N-]C(=O)N3)CC2)C1	REAL300029056432	0	43	-2.0	-85.34	362.14	-4.46	-89.80
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=NC(=O)NC(=O)[N-]3)CC2)C1	REAL300029056432	1	43	-2.0	-85.34	362.14	-4.46	-89.80
NC1=NC=C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C(=O)N1	REAL300029056468	0	45	-2.0	-88.91	374.39	-2.48	-91.39
NC1=NC=C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C(=O)[N-]1	REAL300029056468	1	45	-2.0	-88.91	374.39	-2.48	-91.39
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029056561	0	41	-2.0	-90.78	349.04	-2.59	-93.37
CC1SC(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=NC1=O	REAL300029056578	0	44	-2.0	-90.94	380.87	-1.73	-92.67
CC1=C([O-])N=C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)S1	REAL300029056578	1	44	-2.0	-90.94	380.87	-1.73	-92.67
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC(=O)NC([O-])=C3)CC2)C1	REAL300029056686	0	45	-2.0	-90.32	379.03	-4.06	-94.38
CCN1[N-]C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC1=O	REAL300029056728	0	48	-2.0	-93.08	392.52	-0.18	-93.26
CN1[N-]C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC1=O	REAL300029056744	0	45	-2.0	-89.16	377.00	-0.84	-90.00
O=C(CC1=CC(=O)NN1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056830	0	45	-2.0	-99.51	372.07	-2.40	-101.91
O=C(CC1=CC(=O)N[N-]1)N1CCN(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029056830	1	45	-2.0	-99.51	372.07	-2.40	-101.91
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC=C(O)C(F)=C3)CC2)C1	REAL300029056834	0	45	-2.0	-93.49	378.84	0.44	-93.05
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)C1	REAL300029056834	1	45	-2.0	-93.49	378.84	0.44	-93.05
CC1=CN=C(C(=O)N2CCN(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C([O-])=C1	REAL300029056901	1	47	-2.0	-101.89	390.44	1.23	-100.66
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CC([O-])=CS3)CC2)C1	REAL300029056914	0	42	-2.0	-102.42	358.44	-0.95	-103.37
O=C(C1=CC(=O)[N-]O1)N1CC(N2CCN(C(=O)C3=CN([O-])C(=O)C=C3)CC2)C1	REAL300029056927	0	45	-2.0	-103.76	379.63	0.93	-102.83
C[C@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029057604	1	44	-2.0	-93.60	368.58	1.33	-92.27
C[C@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029057911	0	44	-2.0	-80.18	359.15	0.41	-79.77
C[C@H]1CN(C(=O)CCCN2C(=O)[N-]NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058461	0	45	-2.0	-88.78	370.55	-0.89	-89.67
CC(C)CN1[N-]C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)=CC1=O	REAL300029058658	0	51	-2.0	-94.61	411.30	3.44	-91.17
C[C@H]1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058752	0	43	-2.0	-87.73	362.38	-3.24	-90.97
CC(=O)[N-]C1=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)=CS1	REAL300029058753	1	41	-2.0	-83.05	349.28	0.44	-82.61
C[C@H]1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029058967	1	44	-2.0	-94.33	363.95	0.51	-93.82
COC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)NC(=O)[N-]C1=O	REAL300029059112	1	42	-2.0	-89.78	357.42	-3.59	-93.37
C[C@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059263	0	37	-2.0	-87.10	310.80	-3.68	-90.78
C[C@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029059405	0	39	-2.0	-88.72	331.89	-1.89	-90.61
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C(=O)[N-]C(C(C)C)=N1	REAL300029059448	1	49	-2.0	-94.53	394.02	1.32	-93.21
C[C@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060500	0	39	-2.0	-99.18	333.39	2.47	-96.71
C[C@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060707	0	39	-2.0	-84.38	325.40	-2.87	-87.25
C[C@H]1CN(C(=O)C2=COC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060723	1	35	-2.0	-86.88	298.46	-1.02	-87.90
C[C@H]1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029060786	1	47	-2.0	-93.25	384.44	1.88	-91.37
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)=CC1=O	REAL300029061007	0	42	-2.0	-86.21	347.40	1.47	-84.74
C[C@H]1CN(C(=O)CC2=CC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061018	1	39	-2.0	-90.80	326.88	-0.81	-91.61
C[C@H]1CN(C(=O)C2=CC=CC(=S)N2[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061045	0	39	-2.0	-102.65	336.84	3.30	-99.35
C[C@H]1CN(C(=O)CC2SC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061064	0	39	-2.0	-83.00	340.48	-2.25	-85.25
C[C@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061084	0	38	-2.0	-89.06	320.65	-0.92	-89.98
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C(=O)NC(C2CC2)=N1	REAL300029061216	0	47	-2.0	-91.36	375.04	1.53	-89.83
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C(=O)[N-]C(C2CC2)=N1	REAL300029061216	1	47	-2.0	-91.36	375.04	1.53	-89.83
C[C@H]1CN(C(=O)C2=C[N-]N=CC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061232	0	37	-2.0	-80.78	304.57	-0.01	-80.79
C[C@H]1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061276	0	41	-2.0	-96.08	341.29	0.62	-95.46
C[C@H]1CN(C(=O)C2=CC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061403	0	36	-2.0	-83.73	303.23	-1.11	-84.84
C[C@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061408	0	41	-2.0	-82.76	333.57	-0.54	-83.30
C[C@H]1CN(C(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061462	0	39	-2.0	-105.75	329.17	2.19	-103.56
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C(=O)N1	REAL300029061488	0	41	-2.0	-88.20	348.15	0.16	-88.04
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C(=O)[N-]1	REAL300029061488	1	41	-2.0	-88.20	348.15	0.16	-88.04
CC1SC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)=NC1=O	REAL300029061516	0	38	-2.0	-94.56	330.39	-0.27	-94.83
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)S1	REAL300029061516	1	38	-2.0	-94.56	330.39	-0.27	-94.83
C[C@H]1CN(C(=O)C2=CC(=O)C=C(Cl)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061540	0	38	-2.0	-80.70	329.46	2.03	-78.67
C[C@H]1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061540	1	38	-2.0	-80.70	329.46	2.03	-78.67
C[C@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061568	0	39	-2.0	-99.51	333.64	2.49	-97.02
C[C@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061643	0	39	-2.0	-99.10	325.72	2.66	-96.44
C[C@H]1CN(C(=O)C[N-]C(=O)C(F)(F)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061861	0	38	-2.0	-83.37	332.57	-1.77	-85.14
C[C@H]1CN(C(=O)CC2=C([O-])N=C(N)S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061862	0	40	-2.0	-101.06	347.54	-2.39	-103.45
C[C@H]1CN(C(=O)CC2=NC([O-])=CS2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061941	0	38	-2.0	-100.88	332.73	-1.54	-102.42
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C(=O)[N-]1	REAL300029061973	1	43	-2.0	-86.97	346.88	0.66	-86.31
C[C@H]1CN(C(=O)CN2N=CC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029061987	0	40	-2.0	-92.12	342.23	-3.01	-95.13
C[C@H]1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062087	0	35	-2.0	-85.25	322.22	-0.38	-85.63
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C(=O)N1	REAL300029062227	0	44	-2.0	-87.74	359.81	-1.09	-88.83
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C(=O)[N-]1	REAL300029062227	1	44	-2.0	-87.74	359.81	-1.09	-88.83
C[C@H]1CN(C(=O)C2=CN=C(CC3CC3)NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062242	0	47	-2.0	-87.09	377.79	2.26	-84.83
C[C@H]1CN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062242	1	47	-2.0	-87.09	377.79	2.26	-84.83
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)=N[N-]1	REAL300029062350	0	40	-2.0	-87.98	332.72	0.83	-87.15
C[C@H]1CN(C(=O)C2=NC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062373	0	35	-2.0	-85.81	297.98	-1.73	-87.54
C[C@H]1CN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062403	0	40	-2.0	-86.36	343.84	1.21	-85.15
C[C@H]1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062403	1	40	-2.0	-86.36	343.84	1.21	-85.15
C[C@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062566	0	38	-2.0	-96.67	337.89	-0.20	-96.87
C[C@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062852	0	39	-2.0	-85.75	325.66	0.53	-85.22
C[C@H]1CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062862	1	42	-2.0	-101.86	350.86	0.25	-101.61
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029062866	0	39	-2.0	-88.17	339.14	-1.83	-90.00
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C)C2)C(=S)[N-]C(=O)N1	REAL300029062867	1	41	-2.0	-98.70	352.34	-0.57	-99.27
C[C@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063132	0	37	-2.0	-89.87	312.42	-3.92	-93.79
C[C@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063132	1	37	-2.0	-82.47	317.19	-2.83	-85.30
C[C@H]1CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063232	0	41	-2.0	-90.59	349.24	-5.52	-96.11
C[C@H]1CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063232	1	41	-2.0	-83.78	353.05	-5.21	-88.99
C[C@H]1CN(C(=O)CN2[N-]C(=O)C=CC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029063411	0	41	-2.0	-89.91	344.23	-1.08	-90.99
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300029063656	1	38	-2.0	-93.79	312.60	1.95	-91.84
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300029063777	1	44	-2.0	-93.82	363.81	0.52	-93.30
CC(=O)[N-]C1=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)=CS1	REAL300029063790	1	41	-2.0	-83.11	353.55	0.71	-82.40
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300029063822	0	37	-2.0	-87.28	315.12	-3.29	-90.57
COC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)NC(=O)[N-]C1=O	REAL300029063882	1	42	-2.0	-89.82	353.41	-3.95	-93.77
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300029064064	0	39	-2.0	-89.03	331.86	-1.87	-90.90
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300029064119	0	43	-2.0	-90.32	365.52	1.00	-89.32
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCN1C(=O)[N-]NC1=O	REAL300029065119	0	45	-2.0	-87.94	370.40	-0.89	-88.83
CC(C)CN1[N-]C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)=CC1=O	REAL300029065294	0	51	-2.0	-94.85	411.35	3.46	-91.39
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300029065350	1	44	-2.0	-84.30	356.46	1.05	-83.25
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300029066273	0	43	-2.0	-87.03	358.06	-3.63	-90.66
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300029066281	0	41	-2.0	-87.73	344.90	3.30	-84.43
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300029066300	1	39	-2.0	-91.24	339.05	3.34	-87.90
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300029066338	1	40	-2.0	-85.71	339.77	1.84	-83.87
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(N)C(Cl)=C1[O-]	REAL300029066368	0	41	-2.0	-94.34	345.89	0.93	-93.41
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300029066424	0	41	-2.0	-96.46	343.44	3.89	-92.57
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C(=O)[N-]1	REAL300029066458	1	43	-2.0	-82.78	345.63	0.40	-82.38
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300029066484	1	35	-2.0	-87.44	298.36	-1.08	-88.52
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300029066593	0	38	-2.0	-82.89	332.29	-1.88	-84.77
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300029066594	0	40	-2.0	-101.79	347.80	-2.26	-104.05
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C=C1F	REAL300029066632	1	39	-2.0	-86.80	323.59	1.52	-85.28
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=C2SC=CC2=C1	REAL300029066640	1	42	-2.0	-95.73	355.85	2.81	-92.92
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300029066643	0	38	-2.0	-86.69	319.83	0.73	-85.96
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300029066656	1	40	-2.0	-89.39	338.66	1.88	-87.51
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300029066662	0	38	-2.0	-87.53	334.43	1.31	-86.22
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1	REAL300029066666	0	41	-2.0	-86.34	350.43	-1.46	-87.80
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300029066682	0	40	-2.0	-92.25	338.27	-3.27	-95.52
CC1=CC=C([O-])C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)=N1	REAL300029066785	1	41	-2.0	-95.50	337.13	3.07	-92.43
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300029066814	0	37	-2.0	-77.10	305.50	0.24	-76.86
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300029066826	0	39	-2.0	-98.20	327.93	3.01	-95.19
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC([O-])=C1F	REAL300029066963	1	39	-2.0	-95.79	328.23	1.92	-93.87
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300029067043	0	41	-2.0	-90.99	344.50	3.25	-87.74
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300029067113	0	36	-2.0	-83.91	303.38	-1.06	-84.97
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300029067120	0	41	-2.0	-82.50	333.95	-0.42	-82.92
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)C=C([O-])C1=CC=CC=N1	REAL300029067152	0	44	-2.0	-99.18	367.42	2.97	-96.21
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(CC2CC2)NC1=O	REAL300029067174	0	47	-2.0	-82.86	376.63	2.00	-80.86
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(CC2CC2)[N-]C1=O	REAL300029067174	1	47	-2.0	-82.86	376.63	2.00	-80.86
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C(=O)N1	REAL300029067192	0	44	-2.0	-83.78	358.56	-1.36	-85.14
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C(=O)[N-]1	REAL300029067192	1	44	-2.0	-83.78	358.56	-1.36	-85.14
CC1=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)=CC([N+](=O)[O-])=C1[O-]	REAL300029067201	0	44	-2.0	-88.98	362.96	4.06	-84.92
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300029067252	0	39	-2.0	-98.73	324.79	2.00	-96.73
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL300029067291	0	39	-2.0	-89.68	341.33	2.04	-87.64
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300029067293	0	35	-2.0	-85.89	293.72	-2.08	-87.97
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300029067306	0	39	-2.0	-95.58	321.18	2.02	-93.56
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C=C(C#N)C(=O)[N-]C1=O	REAL300029067479	0	42	-2.0	-96.90	366.91	-0.58	-97.48
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC=C1O	REAL300029067550	0	39	-2.0	-90.85	328.72	2.90	-87.95
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300029067550	1	39	-2.0	-90.85	328.72	2.90	-87.95
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)=C1O	REAL300029067650	0	41	-2.0	-95.04	335.85	3.18	-91.86
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)=C1[O-]	REAL300029067650	1	41	-2.0	-95.04	335.85	3.18	-91.86
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300029067709	0	39	-2.0	-92.71	339.78	3.00	-89.71
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=CC(O)=C1	REAL300029067832	0	38	-2.0	-87.85	313.47	-0.43	-88.28
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=CC([O-])=C1	REAL300029067832	1	38	-2.0	-87.85	313.47	-0.43	-88.28
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300029067846	0	39	-2.0	-112.63	339.03	3.85	-108.78
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300029068006	1	47	-2.0	-83.89	372.40	1.61	-82.28
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300029068021	1	41	-2.0	-90.55	345.67	0.01	-90.54
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300029068025	0	38	-2.0	-83.82	330.27	1.02	-82.80
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N	REAL300029068092	0	43	-2.0	-92.13	358.67	1.37	-90.76
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300029068099	1	39	-2.0	-86.28	331.96	1.97	-84.31
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300029068101	0	42	-2.0	-90.65	355.42	1.23	-89.42
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=NC([O-])=CS1	REAL300029068113	0	38	-2.0	-101.38	332.98	-1.39	-102.77
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300029068139	0	41	-2.0	-89.74	348.08	-0.90	-90.64
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300029068144	0	39	-2.0	-91.39	323.33	2.58	-88.81
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300029068283	0	39	-2.0	-83.32	340.26	-2.15	-85.47
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300029068311	0	39	-2.0	-88.10	330.13	1.59	-86.51
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029068315	1	40	-2.0	-75.51	337.03	0.20	-75.31
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300029068321	0	39	-2.0	-93.43	337.76	3.48	-89.95
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)=N[N-]1	REAL300029068360	0	40	-2.0	-87.88	332.32	2.57	-85.31
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300029068364	0	44	-2.0	-98.24	363.91	2.28	-95.96
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300029068396	0	39	-2.0	-109.87	327.93	3.02	-106.85
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300029068434	0	39	-2.0	-85.88	333.84	-0.24	-86.12
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300029068435	0	41	-2.0	-90.02	349.06	-5.70	-95.72
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300029068435	1	41	-2.0	-83.34	349.00	-5.65	-88.99
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300029068464	0	41	-2.0	-83.30	344.51	2.82	-80.48
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300029068508	0	38	-2.0	-89.35	320.86	-0.89	-90.24
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300029068546	0	41	-2.0	-84.25	346.28	-0.70	-84.95
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300029068592	0	40	-2.0	-88.68	343.20	3.25	-85.43
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300029068732	0	39	-2.0	-87.05	326.45	-0.50	-87.55
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300029068773	0	39	-2.0	-86.58	339.92	3.00	-83.58
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300029068802	1	39	-2.0	-93.16	324.75	1.50	-91.66
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300029068811	1	44	-2.0	-104.31	362.48	3.46	-100.85
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300029068815	0	41	-2.0	-88.17	345.10	3.19	-84.98
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300029068819	0	41	-2.0	-84.74	345.09	3.18	-81.56
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300029068830	1	39	-2.0	-91.30	333.66	3.04	-88.26
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300029068854	0	41	-2.0	-84.36	346.74	2.11	-82.25
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029068943	0	37	-2.0	-82.33	317.28	-2.80	-85.13
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029068943	1	37	-2.0	-82.33	317.28	-2.80	-85.13
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300029068983	0	41	-2.0	-93.76	341.14	0.52	-93.24
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(O)C2=CC=CC=C2C=N1	REAL300029069025	0	44	-2.0	-99.93	360.80	4.80	-95.13
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300029069025	1	44	-2.0	-99.93	360.80	4.80	-95.13
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300029069026	0	35	-2.0	-85.46	315.55	-0.81	-86.27
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(N)NC1=O	REAL300029069046	0	39	-2.0	-83.24	318.78	-1.24	-84.48
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300029069046	1	39	-2.0	-83.24	318.78	-1.24	-84.48
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)[N-]C(=O)C(C#N)=C1	REAL300029069086	0	42	-2.0	-87.61	357.99	0.32	-87.29
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300029069176	0	39	-2.0	-86.11	340.70	2.09	-84.02
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029069182	0	40	-2.0	-85.95	338.63	0.97	-84.98
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029069182	1	40	-2.0	-85.95	338.63	0.97	-84.98
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300029069191	0	41	-2.0	-81.67	335.40	0.23	-81.44
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300029069199	0	38	-2.0	-91.26	331.73	3.00	-88.26
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC=C(O)C(Cl)=C1	REAL300029069206	0	42	-2.0	-93.22	363.85	3.33	-89.89
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300029069206	1	42	-2.0	-93.22	363.85	3.33	-89.89
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029069266	0	35	-2.0	-88.75	298.15	-1.11	-89.86
CC1SC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)=NC1=O	REAL300029069307	0	38	-2.0	-94.59	329.85	-0.36	-94.95
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)S1	REAL300029069307	1	38	-2.0	-94.59	329.85	-0.36	-94.95
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(O)C2=CC=CC=C2C=C1	REAL300029069379	0	45	-2.0	-98.69	367.32	5.21	-93.48
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300029069379	1	45	-2.0	-98.69	367.32	5.21	-93.48
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=CC=CC=C2C=C1O	REAL300029069388	0	45	-2.0	-100.45	368.50	5.10	-95.35
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300029069388	1	45	-2.0	-100.45	368.50	5.10	-95.35
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)C1=CC=C(O)C=C1	REAL300029069437	0	41	-2.0	-87.77	349.74	1.89	-85.88
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300029069437	1	41	-2.0	-87.77	349.74	1.89	-85.88
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300029069469	0	38	-2.0	-96.23	333.81	-0.57	-96.80
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)C=C(Cl)N1	REAL300029069501	0	38	-2.0	-80.70	333.47	2.33	-78.37
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029069501	1	38	-2.0	-80.70	333.47	2.33	-78.37
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C(=O)N1	REAL300029069530	0	41	-2.0	-83.31	346.73	-0.08	-83.39
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C(=O)[N-]1	REAL300029069530	1	41	-2.0	-83.31	346.73	-0.08	-83.39
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300029069539	0	39	-2.0	-83.95	323.04	-2.84	-86.79
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)=CC1=O	REAL300029069628	0	42	-2.0	-86.54	347.92	1.58	-84.96
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CNC(=O)C1=NC=CC=C1O	REAL300029069639	0	45	-2.0	-97.83	373.28	0.20	-97.63
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CNC(=O)C1=NC=CC=C1[O-]	REAL300029069639	1	45	-2.0	-97.83	373.28	0.20	-97.63
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300029069649	0	39	-2.0	-86.00	326.11	0.65	-85.35
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300029069664	0	39	-2.0	-87.66	339.15	-1.82	-89.48
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC(=O)NN1	REAL300029069830	0	39	-2.0	-91.10	326.97	-0.80	-91.90
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC(=O)N[N-]1	REAL300029069830	1	39	-2.0	-91.10	326.97	-0.80	-91.90
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(O)C(F)=C1	REAL300029069837	0	39	-2.0	-89.58	324.66	1.53	-88.05
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300029069837	1	39	-2.0	-89.58	324.66	1.53	-88.05
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300029069898	0	39	-2.0	-89.43	330.91	1.60	-87.83
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300029069903	0	38	-2.0	-91.00	333.76	1.31	-89.69
CC1=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C(=O)N(C)[N-]1	REAL300029069924	0	45	-2.0	-93.11	370.01	1.73	-91.38
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC(=O)C1=CC=C([O-])C=C1	REAL300029069933	1	47	-2.0	-88.60	385.27	3.17	-85.43
CC1=CN=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C([O-])=C1	REAL300029069974	1	41	-2.0	-96.24	336.87	3.11	-93.13
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CS1	REAL300029070012	0	36	-2.0	-92.22	307.79	0.28	-91.94
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300029070036	0	39	-2.0	-97.90	324.51	2.01	-95.89
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300029070044	0	39	-2.0	-87.65	344.17	3.56	-84.09
C[C@H]1CN(C(=O)C2=CN([O-])C(=O)NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029070092	0	39	-2.0	-86.90	326.95	-0.18	-87.08
C[C@H]1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029070132	1	40	-2.0	-82.24	349.25	0.45	-81.79
CC1(C)CN(C(=O)C2=COC(=O)[N-]2)CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029070919	1	43	-2.0	-105.35	357.83	-1.20	-106.55
CC1(C)CN(C(=O)CC2=CC(=O)N[N-]2)CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029070998	1	47	-2.0	-100.73	385.06	-0.86	-101.59
CN1N=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)[N-]C1=O	REAL300029071007	0	46	-2.0	-110.87	380.24	-1.09	-111.96
CC1(C)CN(C(=O)C2=C[N-]N=CC2=O)CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029071039	0	45	-2.0	-102.29	375.97	0.20	-102.09
CC1(C)CN(C(=O)C2=CC(=O)N[N-]2)CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029071073	0	44	-2.0	-103.80	362.70	-1.27	-105.07
CC1(C)CN(C(=O)C2=NC(=O)N[N-]2)CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029071251	0	43	-2.0	-105.16	357.47	-1.91	-107.07
CN1[N-]C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)OC(C)(C)C2)=CC1=O	REAL300029071339	0	47	-2.0	-106.10	385.46	0.46	-105.64
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC2(CN(C(=O)C3=NC=CC=C3[O-])C2)O1	REAL300029071695	1	46	-2.0	-118.16	374.29	2.12	-116.04
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC2(CN(C(=O)C3=COC(=O)[N-]3)C2)O1	REAL300029072191	1	43	-2.0	-109.30	357.78	-2.05	-111.35
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC2(CN(C(=O)C3=C[N-]N=CC3=O)C2)O1	REAL300029072265	0	45	-2.0	-110.32	365.61	1.14	-109.18
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC2(CN(C(=O)C3=CC(=O)N[N-]3)C2)O1	REAL300029072326	0	44	-2.0	-107.49	362.62	-1.48	-108.97
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC2(CN(C(=O)C3=NC(=O)N[N-]3)C2)O1	REAL300029072360	0	43	-2.0	-89.76	356.55	-2.57	-92.33
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC2(CN(C(=O)C3=CN=CC([O-])=C3)C2)O1	REAL300029072470	1	46	-2.0	-108.42	372.36	-0.37	-108.79
CN1N=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)[N-]C1=O	REAL300029072581	0	46	-2.0	-114.27	380.02	-1.27	-115.54
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC2(CN(C(=O)C3=CC=NC=C3[O-])C2)O1	REAL300029072714	0	46	-2.0	-119.48	370.49	1.29	-118.19
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029072717	0	43	-2.0	-111.91	357.64	-1.16	-113.07
CN1[N-]C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC(C)(C)O3)=CC1=O	REAL300029072806	0	47	-2.0	-110.48	385.44	0.23	-110.25
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC2(CN(C(=O)CC3=CC(=O)N[N-]3)C2)O1	REAL300029072854	1	47	-2.0	-108.67	385.57	-0.90	-109.57
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC2(CN(C(=O)C3=CC([O-])=CS3)C2)O1	REAL300029072898	0	44	-2.0	-114.82	369.86	0.63	-114.19
CC(C)[C@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074210	0	43	-2.0	-86.66	341.17	-2.68	-89.34
CC(C)[C@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074306	0	45	-2.0	-88.55	357.63	-1.27	-89.82
CC(C)[C@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029074959	0	45	-2.0	-97.36	352.31	3.04	-94.32
CC(C)[C@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075081	0	45	-2.0	-84.15	359.51	-1.88	-86.03
CC(C)[C@H]1CN(C(=O)C2=COC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075092	1	41	-2.0	-87.18	324.91	-0.21	-87.39
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)=CC1=O	REAL300029075270	0	48	-2.0	-86.24	374.12	2.13	-84.11
CC(C)[C@H]1CN(C(=O)CC2=CC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075278	1	45	-2.0	-90.76	353.80	0.13	-90.63
CC(C)[C@H]1CN(C(=O)C2=CC=CC(=S)N2[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075297	0	45	-2.0	-100.92	363.22	3.71	-97.21
CC(C)[C@H]1CN(C(=O)CC2SC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075307	0	45	-2.0	-83.06	366.61	-1.62	-84.68
CC(C)[C@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075323	0	44	-2.0	-89.13	347.30	-0.14	-89.27
CC(C)[C@H]1CN(C(=O)C2=C[N-]N=CC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075415	0	43	-2.0	-81.98	342.92	0.92	-81.06
CC(C)[C@H]1CN(C(=O)C2=CC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075525	0	42	-2.0	-83.89	329.85	-0.28	-84.17
CC(C)[C@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075530	0	47	-2.0	-83.16	363.15	0.29	-82.87
CC(C)[C@H]1CN(C(=O)CCC2=NC(=O)NN2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075559	0	47	-2.0	-96.74	368.76	-1.05	-97.79
CC(C)[C@H]1CN(C(=O)CCC2=NC(=O)[N-]N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075559	1	47	-2.0	-96.74	368.76	-1.05	-97.79
CC(C)[C@H]1CN(C(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075564	0	45	-2.0	-97.83	351.46	2.74	-95.09
CC(C)[C@H]1CN(C(=O)C2=NC(=O)C(C)S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075595	0	44	-2.0	-95.03	355.79	0.20	-94.83
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)S1	REAL300029075595	1	44	-2.0	-95.03	355.79	0.20	-94.83
CC(C)[C@H]1CN(C(=O)C2=CC(=O)C=C(Cl)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075609	0	44	-2.0	-81.03	362.76	3.05	-77.98
CC(C)[C@H]1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075609	1	44	-2.0	-81.03	362.76	3.05	-77.98
CC(C)[C@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075628	0	45	-2.0	-94.92	360.15	3.25	-91.67
CC(C)[C@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075667	0	45	-2.0	-98.07	352.14	3.06	-95.01
CC(C)[C@H]1CN(C(=O)CC2=C([O-])N=C(N)S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075798	0	46	-2.0	-101.45	374.47	-1.45	-102.90
CC(C)[C@H]1CN(C(=O)CC2=NC([O-])=CS2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075846	0	44	-2.0	-100.86	359.65	-0.58	-101.44
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)C(=O)[N-]1	REAL300029075864	1	49	-2.0	-87.89	373.70	1.43	-86.46
CC(C)[C@H]1CN(C(=O)CN2N=CC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029075873	0	46	-2.0	-92.25	369.15	-2.07	-94.32
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)=N[N-]1	REAL300029076094	0	46	-2.0	-87.70	357.93	3.11	-84.59
CC(C)[C@H]1CN(C(=O)C2=NC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076110	0	41	-2.0	-85.88	324.38	-1.12	-87.00
CC(C)[C@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076232	0	44	-2.0	-96.61	365.24	0.38	-96.23
COC1=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H](C(C)C)C2)=CC(=O)[N-]1	REAL300029076247	0	47	-2.0	-86.93	372.49	-1.92	-88.85
CC(C)[C@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076411	0	45	-2.0	-85.93	352.58	1.42	-84.51
CC(C)[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076418	0	45	-2.0	-87.78	368.92	-0.96	-88.74
CC(C)[C@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076585	0	43	-2.0	-89.18	342.24	-3.10	-92.28
CC(C)[C@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076585	1	43	-2.0	-82.62	343.20	-2.28	-84.90
CC(C)[C@H]1CN(C(=O)CN2[N-]C(=O)C=CC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029076744	0	47	-2.0	-89.77	374.92	0.03	-89.74
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300029076997	1	44	-2.0	-92.40	340.63	2.76	-89.64
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300029077117	0	43	-2.0	-85.85	340.52	-2.98	-88.83
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300029077273	0	45	-2.0	-87.53	358.09	-1.30	-88.83
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300029078513	1	45	-2.0	-88.90	361.79	3.98	-84.92
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300029078537	1	46	-2.0	-85.32	370.06	2.58	-82.74
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)C(=O)[N-]1	REAL300029078611	1	49	-2.0	-86.56	372.61	1.15	-85.41
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300029078627	1	41	-2.0	-86.67	323.68	-0.53	-87.20
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300029078697	0	44	-2.0	-82.42	363.10	-0.87	-83.29
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300029078698	0	46	-2.0	-100.73	373.75	-1.80	-102.53
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C=C1F	REAL300029078719	1	45	-2.0	-86.49	351.23	2.32	-84.17
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300029078725	0	44	-2.0	-86.39	350.06	1.69	-84.70
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300029078732	1	46	-2.0	-88.09	366.48	2.83	-85.26
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300029078735	0	44	-2.0	-86.30	356.75	1.92	-84.38
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300029078749	0	46	-2.0	-91.14	368.98	-2.28	-93.42
CC1=CC=C([O-])C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)=N1	REAL300029078808	1	47	-2.0	-93.04	362.60	3.39	-89.65
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1=NNC(=O)[N-]1	REAL300029078809	0	47	-2.0	-86.97	368.92	-0.49	-87.46
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300029078827	0	43	-2.0	-80.65	333.98	0.73	-79.92
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300029078835	0	45	-2.0	-95.44	350.56	3.72	-91.72
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC([O-])=C1F	REAL300029078923	1	45	-2.0	-94.25	350.88	2.49	-91.76
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300029079015	0	42	-2.0	-83.27	328.86	-0.60	-83.87
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300029079020	0	47	-2.0	-81.79	363.37	0.68	-81.11
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300029079104	0	45	-2.0	-98.10	352.28	2.96	-95.14
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300029079130	0	41	-2.0	-85.47	323.59	-1.25	-86.72
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300029079135	0	45	-2.0	-102.20	348.02	2.77	-99.43
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC=C1O	REAL300029079282	0	45	-2.0	-88.76	351.48	3.53	-85.23
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300029079282	1	45	-2.0	-88.76	351.48	3.53	-85.23
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)=C1O	REAL300029079342	0	47	-2.0	-92.45	360.95	3.45	-89.00
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)=C1[O-]	REAL300029079342	1	47	-2.0	-92.45	360.95	3.45	-89.00
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=CC(O)=C1	REAL300029079450	0	44	-2.0	-87.42	341.86	0.45	-86.97
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=CC([O-])=C1	REAL300029079450	1	44	-2.0	-87.42	341.86	0.45	-86.97
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300029079460	0	45	-2.0	-107.54	359.51	3.30	-104.24
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300029079566	0	44	-2.0	-83.07	358.93	1.86	-81.21
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(O)C=C1Cl	REAL300029079609	0	45	-2.0	-86.06	359.49	2.74	-83.32
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300029079609	1	45	-2.0	-86.06	359.49	2.74	-83.32
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300029079610	0	48	-2.0	-88.69	378.08	1.94	-86.75
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=NC([O-])=CS1	REAL300029079617	0	44	-2.0	-100.06	358.94	-0.92	-100.98
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300029079631	0	47	-2.0	-88.24	374.21	-0.32	-88.56
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300029079719	0	45	-2.0	-82.02	367.21	-1.55	-83.57
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300029079739	0	45	-2.0	-87.84	360.63	2.50	-85.34
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300029079746	0	45	-2.0	-90.78	360.37	4.19	-86.59
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)=N[N-]1	REAL300029079770	0	46	-2.0	-86.33	358.22	3.02	-83.31
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300029079790	0	45	-2.0	-102.17	348.43	2.58	-99.59
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300029079812	0	45	-2.0	-84.59	360.26	0.48	-84.11
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300029079859	0	44	-2.0	-88.40	346.57	-0.42	-88.82
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C#N)C=C1[O-]	REAL300029079902	0	46	-2.0	-88.78	365.35	3.74	-85.04
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300029079909	0	46	-2.0	-86.92	365.18	4.07	-82.85
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300029079994	0	45	-2.0	-86.26	352.68	0.33	-85.93
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300029080042	1	45	-2.0	-92.85	352.56	2.48	-90.37
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300029080058	1	45	-2.0	-90.91	361.29	3.87	-87.04
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029080118	0	43	-2.0	-82.22	344.25	-1.97	-84.19
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029080118	1	43	-2.0	-82.22	344.25	-1.97	-84.19
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(N)NC1=O	REAL300029080167	0	45	-2.0	-89.23	349.38	-0.65	-89.88
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300029080167	1	45	-2.0	-89.23	349.38	-0.65	-89.88
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)[N-]C(=O)C(C#N)=C1	REAL300029080188	0	48	-2.0	-86.18	378.68	2.66	-83.52
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300029080251	0	44	-2.0	-88.96	358.38	3.53	-85.43
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029080295	0	41	-2.0	-88.49	323.95	-0.65	-89.14
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)C(C)S1	REAL300029080315	0	44	-2.0	-94.64	355.56	0.14	-94.50
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)S1	REAL300029080315	1	44	-2.0	-94.64	355.56	0.14	-94.50
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)C1=CC=C(O)C=C1	REAL300029080402	0	47	-2.0	-84.71	367.01	2.33	-82.38
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300029080402	1	47	-2.0	-84.71	367.01	2.33	-82.38
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300029080422	0	44	-2.0	-96.83	362.92	0.37	-96.46
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)C=C(Cl)N1	REAL300029080442	0	44	-2.0	-79.95	359.69	2.98	-76.97
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029080442	1	44	-2.0	-79.95	359.69	2.98	-76.97
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300029080464	0	45	-2.0	-83.81	351.92	-2.05	-85.86
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)=CC1=O	REAL300029080521	0	48	-2.0	-86.02	374.38	2.31	-83.71
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300029080537	0	45	-2.0	-85.37	352.10	1.23	-84.14
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300029080546	0	45	-2.0	-87.11	369.96	-0.83	-87.94
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC(=O)NN1	REAL300029080657	0	45	-2.0	-89.47	353.09	-0.23	-89.70
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC(=O)N[N-]1	REAL300029080657	1	45	-2.0	-89.47	353.09	-0.23	-89.70
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(O)C(F)=C1	REAL300029080662	0	45	-2.0	-89.34	352.53	2.51	-86.83
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300029080662	1	45	-2.0	-89.34	352.53	2.51	-86.83
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300029080700	0	45	-2.0	-89.00	358.17	2.47	-86.53
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300029080704	0	44	-2.0	-88.43	355.70	2.07	-86.36
CC1=CN=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)C(O)=C1	REAL300029080754	0	47	-2.0	-93.73	362.39	3.39	-90.34
CC1=CN=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C(C)C)C([O-])=C1	REAL300029080754	1	47	-2.0	-93.73	362.39	3.39	-90.34
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CS1	REAL300029080775	0	42	-2.0	-91.33	340.09	1.16	-90.17
CC(C)[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300029080788	0	45	-2.0	-97.26	352.48	2.90	-94.36
CC(C)[C@H]1CN(C(=O)C2=CN([O-])C(=O)NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029080815	0	45	-2.0	-86.89	353.73	0.58	-86.31
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300029082149	0	43	-2.0	-105.81	355.07	-2.17	-107.98
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1C(=O)[N-]NC1=O	REAL300029082245	0	45	-2.0	-102.96	372.02	-0.71	-103.67
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300029082898	0	45	-2.0	-119.42	364.65	3.52	-115.90
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300029083020	0	45	-2.0	-96.38	366.47	-1.39	-97.77
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=COC(=O)[N-]1	REAL300029083031	1	41	-2.0	-97.00	338.42	0.11	-96.89
CCN1[N-]C(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029083209	0	48	-2.0	-101.52	388.57	2.76	-98.76
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1=CC(=O)N[N-]1	REAL300029083217	1	45	-2.0	-103.84	367.48	0.52	-103.32
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=CC(=S)N1[O-]	REAL300029083236	0	45	-2.0	-102.67	378.41	4.21	-98.46
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1SC(=O)[N-]C1=O	REAL300029083246	0	45	-2.0	-100.98	380.18	-1.10	-102.08
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300029083262	0	44	-2.0	-108.34	361.02	0.14	-108.20
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=C[N-]N=CC1=O	REAL300029083354	0	43	-2.0	-90.82	352.45	1.48	-89.34
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(=O)N[N-]1	REAL300029083464	0	42	-2.0	-97.71	344.03	0.13	-97.58
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300029083469	0	47	-2.0	-94.07	379.21	1.79	-92.28
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=CN([O-])C1=O	REAL300029083503	0	45	-2.0	-109.71	373.97	3.78	-105.93
CC1SC(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029083534	0	44	-2.0	-105.46	370.31	0.75	-104.71
CC1=C([O-])N=C(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029083534	1	44	-2.0	-105.46	370.31	0.75	-104.71
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(=O)C=C(Cl)N1	REAL300029083548	0	44	-2.0	-96.91	373.43	3.59	-93.32
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029083548	1	44	-2.0	-96.91	373.43	3.59	-93.32
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300029083567	0	45	-2.0	-115.72	373.33	3.66	-112.06
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300029083606	0	45	-2.0	-101.72	367.31	3.53	-98.19
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1=C([O-])N=C(N)S1	REAL300029083737	0	46	-2.0	-110.34	387.26	-1.21	-111.55
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1=NC([O-])=CS1	REAL300029083785	0	44	-2.0	-109.94	373.32	-0.20	-110.14
CCC1=NC=C(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029083803	0	49	-2.0	-113.75	397.85	1.85	-111.90
CCC1=NC=C(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029083803	1	49	-2.0	-113.75	397.85	1.85	-111.90
CC1=CC(=O)C(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029084033	0	46	-2.0	-102.29	372.40	3.78	-98.51
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NC(=O)N[N-]1	REAL300029084049	0	41	-2.0	-98.88	338.05	-0.62	-99.50
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CN=C(C=N[O-])S1	REAL300029084171	0	44	-2.0	-111.25	375.89	0.84	-110.41
COC1=NC(C(=O)N(C)CC2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029084186	0	47	-2.0	-105.51	382.61	-1.35	-106.86
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300029084350	0	45	-2.0	-104.30	366.17	1.72	-102.58
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300029084357	0	45	-2.0	-99.14	383.32	-0.40	-99.54
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029084524	0	43	-2.0	-99.96	356.35	-2.30	-102.26
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029084524	1	43	-2.0	-94.10	357.74	-1.43	-95.53
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300029084683	0	47	-2.0	-106.32	387.98	0.39	-105.93
CN(CC1CCCN(C(=O)C2=NC=CC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300029084936	1	44	-2.0	-125.63	355.95	3.78	-121.85
CN(CC1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085067	0	43	-2.0	-110.99	355.47	-2.02	-113.01
CN(CC1CCCN(C(=O)CN2C(=O)[N-]NC2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029085247	0	45	-2.0	-114.08	372.06	-0.50	-114.58
CN(CC1CCCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086736	1	45	-2.0	-116.51	376.91	4.87	-111.64
CN(CC1CCCN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086762	1	46	-2.0	-92.96	383.19	3.40	-89.56
CCC1=NC=C(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029086854	1	49	-2.0	-110.98	386.91	2.91	-108.07
CN(CC1CCCN(C(=O)C2=COC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086873	1	41	-2.0	-97.47	338.48	0.25	-97.22
CN(CC1CCCN(C(=O)C[N-]C(=O)C(F)(F)F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086944	0	44	-2.0	-103.90	376.58	-0.21	-104.11
CN(CC1CCCN(C(=O)CC2=C([O-])N=C(N)S2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086945	0	46	-2.0	-125.72	388.92	-1.04	-126.76
CN(CC1CCCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086955	0	45	-2.0	-99.42	380.20	3.41	-96.01
CN(CC1CCCN(C(=O)C2=CC=C([O-])C=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086971	1	45	-2.0	-103.86	371.49	3.20	-100.66
CN(CC1CCCN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086977	0	44	-2.0	-99.68	364.34	2.36	-97.32
CN(CC1CCCN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086985	1	46	-2.0	-94.47	380.70	3.40	-91.07
CN(CC1CCCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300029086988	0	44	-2.0	-114.07	373.14	2.79	-111.28
CN(CC1CCCN(C(=O)CN2N=CC(=O)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087006	0	46	-2.0	-116.06	383.63	-1.65	-117.71
CC1=CC=C([O-])C(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029087071	1	47	-2.0	-126.72	377.54	4.36	-122.36
CN(CC1CCCN(C(=O)C2=C[N-]N=CC2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087092	0	43	-2.0	-98.57	350.82	1.63	-96.94
CN(CC1CCCN(C(=O)C2=CC=CC(F)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087103	0	45	-2.0	-127.19	366.41	4.43	-122.76
CN(CC1CCCN(C(=O)C2=CC=CC([O-])=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087202	1	45	-2.0	-120.39	366.71	3.10	-117.29
CN(CC1CCCN(C(=O)C2=CC(=O)N[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087313	0	42	-2.0	-98.99	343.70	0.15	-98.84
CN(CC1CCCN(C(=O)C(=O)[PH](C)(C)[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087319	0	47	-2.0	-97.98	379.34	1.67	-96.31
CN(CC1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087417	0	45	-2.0	-106.66	374.39	3.80	-102.86
CN(CC1CCCN(C(=O)C2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087443	0	41	-2.0	-103.54	338.36	-1.34	-104.88
CN(CC1CCCN(C(=O)C2=C(O)C=CC=C2Cl)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087446	0	45	-2.0	-114.22	384.32	3.74	-110.48
CN(CC1CCCN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087446	1	45	-2.0	-114.22	384.32	3.74	-110.48
CN(CC1CCCN(C(=O)C2=CC=CN([O-])C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087451	0	45	-2.0	-121.50	360.50	3.57	-117.93
CN(CC1CCCN(C(=O)C2=C(F)C=CC(O)=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087480	0	45	-2.0	-107.84	381.17	3.34	-104.50
CN(CC1CCCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087480	1	45	-2.0	-107.84	381.17	3.34	-104.50
CN(CC1CCCN(C(=O)C2=CC(F)=CC=C2O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087629	0	45	-2.0	-115.41	366.59	4.43	-110.98
CN(CC1CCCN(C(=O)C2=CC(F)=CC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087629	1	45	-2.0	-115.41	366.59	4.43	-110.98
CC1=CC=NC(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=C1O	REAL300029087694	0	47	-2.0	-125.67	376.27	4.47	-121.20
CC1=CC=NC(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029087694	1	47	-2.0	-125.67	376.27	4.47	-121.20
CN(CC1CCCN(C(=O)C2=CN=CC(O)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087815	0	44	-2.0	-108.54	356.41	1.12	-107.42
CN(CC1CCCN(C(=O)C2=CN=CC([O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087815	1	44	-2.0	-108.54	356.41	1.12	-107.42
CN(CC1CCCN(C(=O)C2=CC=CC(=S)N2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087825	0	45	-2.0	-144.35	377.48	5.29	-139.06
CN(CC1CCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087942	0	44	-2.0	-95.67	374.33	2.64	-93.03
CN(CC1CCCN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087986	1	45	-2.0	-101.54	380.12	3.63	-97.91
CN(CC1CCCN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087988	0	48	-2.0	-117.55	394.56	2.57	-114.98
CN(CC1CCCN(C(=O)CC2=NC([O-])=CS2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029087998	0	44	-2.0	-126.72	373.18	-0.20	-126.92
CN(CC1CCCN(C(=O)C2=C([O-])C=CC=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088013	0	45	-2.0	-106.87	374.82	3.37	-103.50
CN(CC1CCCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088015	0	47	-2.0	-114.15	388.14	0.48	-113.67
CN(CC1CCCN(C(=O)C2=CC=C(F)C=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088016	0	45	-2.0	-120.43	371.24	3.59	-116.84
CC1=CC=C(F)C([O-])=C1C(=O)N1CCCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300029088053	0	48	-2.0	-121.96	394.24	3.92	-118.04
CN(CC1CCCN(C(=O)CC2SC(=O)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088124	0	45	-2.0	-85.63	380.61	-0.85	-86.48
CN(CC1CCCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088149	0	45	-2.0	-107.48	373.56	3.16	-104.32
CN(CC1CCCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088156	0	45	-2.0	-120.81	376.21	4.90	-115.91
CC1=CC(=O)C(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029088185	0	46	-2.0	-112.39	372.65	3.86	-108.53
CN(CC1CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088211	0	45	-2.0	-141.84	366.35	4.35	-137.49
CN(CC1CCCN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088241	0	45	-2.0	-100.87	377.30	1.37	-99.50
CN(CC1CCCN(C(=O)C2=NN(C)C(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088293	0	44	-2.0	-111.52	360.80	0.32	-111.20
CN(CC1CCCN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088347	0	46	-2.0	-115.61	385.54	1.43	-114.18
CN(CC1CCCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088347	1	46	-2.0	-115.61	385.54	1.43	-114.18
CN(CC1CCCN(C(=O)C2=CC(C#N)=CC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088356	0	46	-2.0	-112.55	385.68	3.96	-108.59
CN(CC1CCCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088451	0	45	-2.0	-104.95	378.29	1.14	-103.81
CN(CC1CCCN(C(=O)C2=CC=C(F)C(O)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088507	0	45	-2.0	-97.58	367.64	3.08	-94.50
CN(CC1CCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088507	1	45	-2.0	-97.58	367.64	3.08	-94.50
CN(CC1CCCN(C(=O)C2=CC=C(Cl)C=C2O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088526	0	45	-2.0	-120.29	381.57	4.03	-116.26
CN(CC1CCCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088526	1	45	-2.0	-120.29	381.57	4.03	-116.26
CN(CC1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088598	0	43	-2.0	-97.37	357.05	-2.27	-99.64
CN(CC1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088598	1	43	-2.0	-99.27	360.50	-2.69	-101.96
CN(CC1CCCN(C(=O)C2=CN=C(N)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088658	1	45	-2.0	-108.98	360.16	1.25	-107.73
CC1=C(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029088680	0	48	-2.0	-103.31	402.24	1.99	-101.32
CN(CC1CCCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088694	0	45	-2.0	-119.56	373.53	3.16	-116.40
COC1=NC(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029088741	0	47	-2.0	-107.38	382.49	-1.28	-108.66
CN(CC1CCCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088751	0	44	-2.0	-121.03	372.13	4.29	-116.74
CN(CC1CCCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088789	0	45	-2.0	-94.58	377.43	3.57	-91.01
CN(CC1CCCN(C(=O)C2=CC=NC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088798	0	44	-2.0	-120.67	356.84	2.36	-118.31
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088804	0	41	-2.0	-104.69	338.29	0.12	-104.57
CC1=C([O-])N=C(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029088829	1	44	-2.0	-102.32	370.54	0.96	-101.36
CN(CC1CCCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088925	1	47	-2.0	-102.19	389.22	3.14	-99.05
CN(CC1CCCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088948	0	44	-2.0	-109.34	380.47	1.18	-108.16
CN(CC1CCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088972	1	44	-2.0	-99.94	374.02	3.64	-96.30
CN(CC1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029088996	0	45	-2.0	-96.53	374.00	-1.12	-97.65
CCN1[N-]C(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029089057	0	48	-2.0	-107.84	388.11	2.82	-105.02
CN(CC1CCCN(C(=O)C2=CC(=O)N(C)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089078	0	45	-2.0	-106.59	366.31	1.89	-104.70
CN(CC1CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089088	0	45	-2.0	-103.68	383.34	-0.19	-103.87
CN(CC1CCCN(C(=O)CC2=CC(=O)N[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089225	1	45	-2.0	-116.15	367.03	0.57	-115.58
CN(CC1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089230	1	45	-2.0	-114.56	368.43	3.14	-111.42
CN(CC1CCCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089278	0	45	-2.0	-102.06	374.73	3.19	-98.87
CN(CC1CCCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089283	0	44	-2.0	-118.95	372.46	2.83	-116.12
CC1=C(CC(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029089298	0	51	-2.0	-117.41	409.93	2.99	-114.42
CC1=CN=C(C(=O)N2CCCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029089335	1	47	-2.0	-127.38	377.38	4.42	-122.96
CN(CC1CCCN(C(=O)C2=CC([O-])=CS2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089358	0	42	-2.0	-110.31	355.32	2.07	-108.24
CN(CC1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300029089374	0	45	-2.0	-109.41	373.59	3.75	-105.66
CN(CC1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300029089404	0	45	-2.0	-101.44	377.55	1.13	-100.31
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C2CC2)[N-]C1=O	REAL300029089962	1	44	-2.0	-109.24	363.15	2.55	-106.69
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090269	0	44	-2.0	-85.30	379.25	-1.25	-86.55
O=C(CCCN1C(=O)[N-]NC1=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029090819	0	45	-2.0	-100.61	384.17	-1.90	-102.51
CC(C)CN1[N-]C(CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029091016	0	51	-2.0	-108.38	418.61	1.84	-106.54
O=C(CCC1=NNC(=O)[N-]C1=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091110	0	43	-2.0	-97.41	371.86	-4.61	-102.02
CC(=O)[N-]C1=NC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300029091111	1	41	-2.0	-86.35	366.24	-1.07	-87.42
O=C(CCN1C=C[N-]C(=O)C1=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091325	1	44	-2.0	-102.87	377.80	-0.46	-103.33
COC1=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300029091470	1	42	-2.0	-93.73	362.33	-3.42	-97.15
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300029091621	0	37	-2.0	-97.90	328.54	-4.74	-102.64
O=C(CN1C(=O)[N-]NC1=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091763	0	39	-2.0	-101.29	341.83	-3.07	-104.36
CC1=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C(C)C)=N1	REAL300029091806	1	49	-2.0	-90.43	397.90	0.92	-89.51
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029091944	0	43	-2.0	-103.66	375.38	-0.18	-103.84
O=C([N-]C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)C(F)F	REAL300029092841	1	37	-2.0	-99.71	336.56	2.16	-97.55
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300029092858	0	39	-2.0	-108.42	338.74	1.43	-106.99
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300029093065	0	39	-2.0	-89.90	339.07	-3.50	-93.40
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300029093081	1	35	-2.0	-89.46	312.17	-3.68	-93.14
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C2CCC2)[N-]C1=O	REAL300029093144	1	47	-2.0	-108.81	379.00	3.10	-105.71
O=C([N-]C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300029093232	1	34	-2.0	-97.15	313.95	1.45	-95.70
CCN1[N-]C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029093365	0	42	-2.0	-94.29	360.65	-0.01	-94.30
O=C(CC1=CC(=O)N[N-]1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093376	1	39	-2.0	-104.83	336.63	-2.07	-106.90
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=S)N1[O-]	REAL300029093403	0	39	-2.0	-133.35	348.19	3.43	-129.92
O=C(CC1SC(=O)[N-]C1=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093422	0	39	-2.0	-94.00	351.06	-3.54	-97.54
CN1N=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029093442	0	38	-2.0	-97.20	333.42	-2.44	-99.64
CC1=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)NC(C2CC2)=N1	REAL300029093574	0	47	-2.0	-111.75	381.46	2.28	-109.47
CC1=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C2CC2)=N1	REAL300029093574	1	47	-2.0	-111.75	381.46	2.28	-109.47
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300029093590	0	37	-2.0	-84.34	321.29	-0.56	-84.90
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=C2N=NN([O-])C2=C1	REAL300029093634	0	41	-2.0	-107.01	355.30	-0.06	-107.07
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300029093761	0	36	-2.0	-90.35	316.10	-2.65	-93.00
C[PH](C)([O-])C(=O)C(=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093766	0	41	-2.0	-89.39	349.11	-1.35	-90.74
O=C(CCC1=NC(=O)NN1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093810	0	41	-2.0	-100.68	351.90	-3.01	-103.69
O=C(CCC1=NC(=O)[N-]N1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029093810	1	41	-2.0	-100.68	351.90	-3.01	-103.69
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300029093820	0	39	-2.0	-122.14	327.40	3.34	-118.80
CSC1=NC=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029093846	0	41	-2.0	-109.50	355.46	1.22	-108.28
CSC1=NC=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029093846	1	41	-2.0	-109.50	355.46	1.22	-108.28
CC1=C([O-])N=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300029093874	1	38	-2.0	-94.02	342.64	-2.52	-96.54
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)[N-]1	REAL300029093898	1	38	-2.0	-88.56	347.13	0.60	-87.96
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300029093926	0	39	-2.0	-109.34	340.00	1.38	-107.96
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300029094001	0	39	-2.0	-129.82	337.08	2.40	-127.42
O=C(C[N-]C(=O)C(F)(F)F)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094219	0	38	-2.0	-91.80	346.28	-2.78	-94.58
NC1=NC([O-])=C(CC(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300029094220	0	40	-2.0	-115.45	357.48	-3.61	-119.06
O=C(CC1=NC([O-])=CS1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094299	0	38	-2.0	-116.94	342.48	-2.79	-119.73
CCC1=NC=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029094331	1	43	-2.0	-89.94	361.00	-0.14	-90.08
O=C(CN1N=CC(=O)[N-]C1=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029094345	0	40	-2.0	-106.64	352.18	-4.18	-110.82
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=C(Cl)C(=O)[N-]S1	REAL300029094445	0	35	-2.0	-91.98	334.54	-1.39	-93.37
COCC1=NC=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029094585	0	44	-2.0	-108.64	367.20	-0.07	-108.71
COCC1=NC=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029094585	1	44	-2.0	-108.64	367.20	-0.07	-108.71
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN=C(CC2CC2)NC1=O	REAL300029094600	0	47	-2.0	-107.25	383.23	3.50	-103.75
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN=C(CC2CC2)[N-]C1=O	REAL300029094600	1	47	-2.0	-107.25	383.23	3.50	-103.75
CC1=CC(=O)C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029094708	0	40	-2.0	-98.16	345.70	1.12	-97.04
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]1	REAL300029094731	0	35	-2.0	-93.92	310.59	-4.10	-98.02
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029094761	0	40	-2.0	-89.84	354.18	0.33	-89.51
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029094761	1	40	-2.0	-89.84	354.18	0.33	-89.51
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C=N[O-])S1	REAL300029094924	0	38	-2.0	-102.35	352.37	-1.11	-103.46
COC1=NC(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300029094945	0	41	-2.0	-94.91	356.82	-4.63	-99.54
CN1[N-]C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029095210	0	39	-2.0	-93.31	338.91	-0.94	-94.25
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300029095220	1	42	-2.0	-116.94	362.51	-0.55	-117.49
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095224	0	39	-2.0	-96.30	352.96	-2.86	-99.16
CC1=C(C(=O)NC[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300029095225	1	41	-2.0	-91.49	356.62	-1.03	-92.52
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300029095490	0	37	-2.0	-90.05	330.11	-5.74	-95.79
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300029095490	1	37	-2.0	-86.93	329.74	-4.97	-91.90
O=C(COC1=NC(=O)[N-]C(=O)N1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095590	0	41	-2.0	-96.29	363.05	-6.52	-102.81
O=C(COC1=NC(=O)NC(=O)[N-]1)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095590	1	41	-2.0	-91.87	362.99	-6.46	-98.33
O=C(CN1[N-]C(=O)C=CC1=O)NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029095769	0	41	-2.0	-101.17	357.93	-2.09	-103.26
O=C(NC[C@@H]1CCCN1C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029096014	1	38	-2.0	-106.88	328.89	1.32	-105.56
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029096135	1	44	-2.0	-97.80	380.74	-0.32	-98.12
CC(=O)[N-]C1=NC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300029096148	1	41	-2.0	-85.86	367.04	-0.56	-86.42
O=C(NC[C@@H]1CCCN1C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029096180	0	37	-2.0	-97.48	327.16	-4.45	-101.93
COC1=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300029096240	1	42	-2.0	-104.91	356.47	-2.59	-107.50
O=C(CN1C(=O)[N-]NC1=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029096422	0	39	-2.0	-99.89	345.32	-3.00	-102.89
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029096477	0	43	-2.0	-102.68	378.86	-0.10	-102.78
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029097477	0	45	-2.0	-98.80	387.81	-1.78	-100.58
CC(C)CN1[N-]C(CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029097652	0	51	-2.0	-106.43	422.29	2.00	-104.43
O=C(NC[C@@H]1CCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029097708	1	44	-2.0	-103.29	370.91	0.91	-102.38
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029098631	0	43	-2.0	-94.84	375.49	-4.51	-99.35
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300029098639	0	41	-2.0	-105.57	353.98	3.08	-102.49
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(Cl)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029098658	1	39	-2.0	-115.41	342.21	3.28	-112.13
N#CC1=CC([O-])=CC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029098696	1	40	-2.0	-94.62	348.18	1.65	-92.97
NC1=CC=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1Cl	REAL300029098726	0	41	-2.0	-121.55	354.10	1.27	-120.28
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=CC(=O)[N-]O1	REAL300029098782	0	41	-2.0	-127.13	351.47	4.08	-123.05
CCC1=NC=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029098816	1	43	-2.0	-101.61	359.79	0.32	-101.29
O=C(NC[C@@H]1CCCN1C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029098842	1	35	-2.0	-88.42	312.07	-2.52	-90.94
O=C(C[N-]C(=O)C(F)(F)F)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029098951	0	38	-2.0	-91.31	349.25	-2.66	-93.97
NC1=NC([O-])=C(CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300029098952	0	40	-2.0	-113.30	360.67	-3.48	-116.78
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300029098990	1	39	-2.0	-104.31	332.33	1.52	-102.79
O=C(NC[C@@H]1CCCN1C(=O)C1=CC([O-])=C2SC=CC2=C1)C1=CC(=O)[N-]O1	REAL300029098998	1	42	-2.0	-102.32	363.64	2.58	-99.74
O=C(NC[C@@H]1CCCN1C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300029099001	0	38	-2.0	-89.32	337.21	0.05	-89.27
N#CC1=CC=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300029099014	1	40	-2.0	-113.95	346.86	1.69	-112.26
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(Cl)=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300029099020	0	38	-2.0	-111.09	337.48	1.41	-109.68
N#CC1=CC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C(N)[N-]C1=O	REAL300029099024	0	41	-2.0	-98.88	363.06	-1.34	-100.22
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099040	0	40	-2.0	-106.17	355.62	-4.11	-110.28
CC1=CC=C([O-])C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029099143	1	41	-2.0	-107.77	350.44	1.90	-105.87
O=C(NC[C@@H]1CCCN1C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300029099172	0	37	-2.0	-94.26	318.33	0.03	-94.23
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300029099184	0	39	-2.0	-125.11	331.78	2.84	-122.27
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029099321	1	39	-2.0	-120.84	332.09	1.50	-119.34
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=CC(=O)[N-]O1	REAL300029099401	0	41	-2.0	-114.84	352.69	3.07	-111.77
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300029099471	0	36	-2.0	-90.58	316.99	-2.36	-92.94
C[PH](C)([O-])C(=O)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099478	0	41	-2.0	-89.29	350.20	-1.24	-90.53
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029099510	0	44	-2.0	-104.20	385.05	2.29	-101.91
O=C(NC[C@@H]1CCCN1C(=O)C1=CN=C(CC2CC2)NC1=O)C1=CC(=O)[N-]O1	REAL300029099532	0	47	-2.0	-101.72	390.67	1.91	-99.81
O=C(NC[C@@H]1CCCN1C(=O)C1=CN=C(CC2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029099532	1	47	-2.0	-101.72	390.67	1.91	-99.81
COCC1=NC=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029099550	0	44	-2.0	-102.75	372.77	-1.43	-104.18
COCC1=NC=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029099550	1	44	-2.0	-102.75	372.77	-1.43	-104.18
CC1=CC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC([N+](=O)[O-])=C1[O-]	REAL300029099559	0	44	-2.0	-97.46	373.25	3.91	-93.55
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300029099610	0	39	-2.0	-119.95	332.60	1.81	-118.14
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029099649	0	39	-2.0	-111.32	344.49	1.61	-109.71
O=C(NC[C@@H]1CCCN1C(=O)C1=NNC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029099651	0	35	-2.0	-94.59	311.67	-3.85	-98.44
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300029099664	0	39	-2.0	-112.39	335.13	2.01	-110.38
N#CC1=CN(CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C1=O	REAL300029099837	0	42	-2.0	-109.03	379.77	-1.79	-110.82
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC(=O)[N-]O1	REAL300029099900	0	39	-2.0	-102.59	342.68	1.83	-100.76
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029099908	1	39	-2.0	-114.36	331.90	2.84	-111.52
CC1=CC=NC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300029100008	1	41	-2.0	-106.57	349.16	2.02	-104.55
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300029100067	0	39	-2.0	-120.47	347.94	3.33	-117.14
O=C(NC[C@@H]1CCCN1C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300029100190	1	38	-2.0	-109.14	322.35	-0.47	-109.61
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=CC(=S)N1[O-])C1=CC(=O)[N-]O1	REAL300029100204	0	39	-2.0	-144.34	342.19	3.76	-140.58
O=C(NC[C@@H]1CCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029100364	1	47	-2.0	-103.22	386.68	1.48	-101.74
NC1=CC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC([O-])=C1Cl	REAL300029100379	1	41	-2.0	-97.54	356.68	-0.26	-97.80
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C([O-])C(Cl)=N1)C1=CC(=O)[N-]O1	REAL300029100383	0	38	-2.0	-85.40	347.13	0.18	-85.22
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100450	0	43	-2.0	-99.76	367.25	1.35	-98.41
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C([O-])C=C1Cl)C1=CC(=O)[N-]O1	REAL300029100457	1	39	-2.0	-102.07	340.50	1.97	-100.10
N#CC1=CC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C([O-])C=C1N	REAL300029100459	0	42	-2.0	-112.48	359.34	1.05	-111.43
O=C(CC1=NC([O-])=CS1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100471	0	38	-2.0	-114.94	346.14	-2.65	-117.59
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100497	0	41	-2.0	-99.41	361.11	-1.98	-101.39
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300029100502	0	39	-2.0	-118.24	332.05	2.84	-115.40
O=C(CC1SC(=O)[N-]C1=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100641	0	39	-2.0	-92.13	353.37	-3.42	-95.55
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C([O-])C(F)=C1F)C1=CC(=O)[N-]O1	REAL300029100669	0	39	-2.0	-106.88	338.35	1.60	-105.28
O=C(NC[C@@H]1CCCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029100673	1	40	-2.0	-93.24	351.46	0.11	-93.13
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029100679	0	39	-2.0	-118.96	341.57	3.31	-115.65
CC1=CC(=O)C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029100718	0	40	-2.0	-97.03	344.31	1.42	-95.61
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100722	0	44	-2.0	-111.78	377.34	1.02	-110.76
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300029100754	0	39	-2.0	-140.54	331.08	2.77	-137.77
N#CC1=CC=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029100792	0	39	-2.0	-95.11	344.69	-0.18	-95.29
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100793	0	41	-2.0	-94.55	366.50	-6.42	-100.97
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100793	1	41	-2.0	-90.66	365.94	-6.33	-96.99
O=C(NC[C@@H]1CCCN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C1=CC(=O)[N-]O1	REAL300029100822	0	41	-2.0	-97.22	355.65	2.84	-94.38
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029100851	0	42	-2.0	-98.19	363.34	2.61	-95.58
CN1N=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029100866	0	38	-2.0	-98.56	333.18	-2.14	-100.70
[N-]=[N+]=NC1=CC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC=C1[O-]	REAL300029100904	0	41	-2.0	-98.66	359.15	-1.14	-99.80
N#CC1=CC=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300029100939	0	40	-2.0	-115.23	346.48	3.18	-112.05
N#CC1=CC=C([O-])C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029100950	0	40	-2.0	-110.37	346.36	3.17	-107.20
O=C(NC[C@@H]1CCCN1C(=O)C1=CN([O-])C(=O)NC1=O)C1=CC(=O)[N-]O1	REAL300029101090	0	39	-2.0	-100.78	340.08	-0.48	-101.26
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C(F)C(O)=C1)C1=CC(=O)[N-]O1	REAL300029101160	0	39	-2.0	-119.35	332.92	1.31	-118.04
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300029101160	1	39	-2.0	-119.35	332.92	1.31	-118.04
O=C(NC[C@@H]1CCCN1C(=O)C1=C(O)C2=NC=CC=C2C=C1)C1=CC(=O)[N-]O1	REAL300029101169	0	44	-2.0	-131.38	366.38	3.26	-128.12
O=C(NC[C@@H]1CCCN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=CC(=O)[N-]O1	REAL300029101169	1	44	-2.0	-131.38	366.38	3.26	-128.12
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=CC(=O)[N-]O1	REAL300029101173	0	41	-2.0	-114.97	353.79	3.44	-111.53
O=C(NC[C@@H]1CCCN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029101177	0	41	-2.0	-105.79	353.59	3.43	-102.36
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C(Cl)C=C1O)C1=CC(=O)[N-]O1	REAL300029101188	0	39	-2.0	-118.07	342.36	3.29	-114.78
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C(Cl)C=C1[O-])C1=CC(=O)[N-]O1	REAL300029101188	1	39	-2.0	-118.07	342.36	3.29	-114.78
O=C(NC[C@@H]1CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300029101301	0	37	-2.0	-89.66	330.03	-4.84	-94.50
O=C(NC[C@@H]1CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029101301	1	37	-2.0	-86.40	330.62	-4.05	-90.45
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C2N=NN([O-])C2=C1)C1=CC(=O)[N-]O1	REAL300029101341	0	41	-2.0	-118.17	349.51	0.44	-117.73
O=C(NC[C@@H]1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC(=O)[N-]O1	REAL300029101383	1	44	-2.0	-113.59	372.81	3.68	-109.91
O=C(NC[C@@H]1CCCN1C(=O)C1=C(Cl)C(=O)[N-]S1)C1=CC(=O)[N-]O1	REAL300029101384	0	35	-2.0	-92.92	331.41	-1.65	-94.57
NC1=NC=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029101404	1	39	-2.0	-101.88	333.22	-1.32	-103.20
CC1=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300029101444	0	42	-2.0	-84.40	365.55	0.96	-83.44
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C(F)C([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029101466	0	39	-2.0	-119.88	338.31	1.55	-118.33
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC(=O)[N-]O1	REAL300029101534	0	39	-2.0	-99.15	349.65	2.03	-97.12
O=C(NC[C@@H]1CCCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300029101540	1	40	-2.0	-96.40	347.94	0.77	-95.63
COC1=NC(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300029101547	0	41	-2.0	-95.79	353.47	-3.80	-99.59
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C2N[N-]N=C2C1=O)C1=CC(=O)[N-]O1	REAL300029101549	0	41	-2.0	-98.39	350.00	0.13	-98.26
O=C(NC[C@@H]1CCCN1C(=O)C1=NC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029101557	0	38	-2.0	-103.93	343.79	1.84	-102.09
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101564	1	42	-2.0	-103.64	377.04	2.22	-101.42
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C(Cl)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300029101606	0	39	-2.0	-115.04	342.72	1.80	-113.24
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300029101617	0	38	-2.0	-118.32	320.59	0.97	-117.35
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300029101624	0	35	-2.0	-93.00	310.84	-2.16	-95.16
CC1=C([O-])N=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300029101665	1	38	-2.0	-93.28	342.80	-1.62	-94.90
O=C(NC[C@@H]1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1=CC(=O)[N-]O1	REAL300029101737	1	45	-2.0	-124.84	370.50	5.09	-119.75
O=C(NC[C@@H]1CCCN1C(=O)C1=CC2=CC=CC=C2C=C1[O-])C1=CC(=O)[N-]O1	REAL300029101746	1	45	-2.0	-129.43	371.66	5.05	-124.38
O=C(NC[C@@H]1CCCN1C(=O)C(=O)C1=CC=C([O-])C=C1)C1=CC(=O)[N-]O1	REAL300029101795	1	41	-2.0	-92.91	354.59	0.82	-92.09
O=C(NC[C@@H]1CCCN1C(=O)C1=CN=C(C=N[O-])S1)C1=CC(=O)[N-]O1	REAL300029101827	0	38	-2.0	-110.93	345.42	-0.61	-111.54
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=CC(=O)[N-]O1	REAL300029101859	1	38	-2.0	-87.27	346.82	1.19	-86.08
CSC1=NC=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029101888	1	41	-2.0	-102.16	361.17	-0.16	-102.32
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300029101897	0	39	-2.0	-98.82	333.53	-2.92	-101.74
CCN1[N-]C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029101986	0	42	-2.0	-94.59	361.52	0.28	-94.31
O=C(CNC(=O)C1=NC=CC=C1[O-])N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029101997	1	45	-2.0	-102.82	390.64	-0.66	-103.48
CN1[N-]C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029102007	0	39	-2.0	-93.56	339.71	-0.64	-94.20
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029102022	0	39	-2.0	-94.25	356.13	-2.69	-96.94
O=C(CC1=CC(=O)N[N-]1)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029102188	1	39	-2.0	-102.83	340.29	-1.93	-104.76
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300029102195	1	39	-2.0	-106.94	332.88	1.35	-105.59
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(F)=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300029102256	0	39	-2.0	-103.99	339.09	1.43	-102.56
O=C(NC[C@@H]1CCCN1C(=O)C1=CC=NC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029102261	0	38	-2.0	-116.27	336.79	1.43	-114.84
CC1=C(CC(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300029102282	0	45	-2.0	-102.48	383.10	0.47	-102.01
O=C(CCC(=O)N1CCC[C@H]1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=C([O-])C=C1	REAL300029102291	1	47	-2.0	-94.97	402.69	2.28	-92.69
CC1=CN=C(C(=O)N2CCC[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300029102332	1	41	-2.0	-109.62	349.03	1.97	-107.65
O=C(NC[C@@H]1CCCN1C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300029102370	0	36	-2.0	-115.13	318.93	0.26	-114.87
O=C(NC[C@@H]1CCCN1C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300029102394	0	39	-2.0	-120.80	332.23	1.81	-118.99
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(F)=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029102402	0	39	-2.0	-110.69	347.98	3.37	-107.32
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)NC1=O	REAL300029102450	0	39	-2.0	-99.87	332.67	1.06	-98.81
O=C(NC[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029102490	1	40	-2.0	-95.89	343.76	1.71	-94.18
COCC1(NC(=O)C2=NNC(=O)[N-]C2=O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103230	0	44	-2.0	-93.58	366.14	-4.92	-98.50
COCC1(NC(=O)CN2C(=O)[N-]NC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103273	0	46	-2.0	-90.84	380.25	-3.13	-93.97
COCC1(NC(=O)C2=CN([O-])C(=O)C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103573	0	46	-2.0	-100.48	377.25	1.39	-99.09
COCC1(NC(=O)C2=CC(=O)NC([O-])=C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103637	0	46	-2.0	-85.56	377.80	-3.47	-89.03
COCC1(NC(=O)C2=COC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103648	1	42	-2.0	-88.21	349.48	-3.74	-91.95
CCN1[N-]C(C(=O)NC2(COC)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029103745	0	49	-2.0	-89.36	399.15	-0.04	-89.40
COCC1(NC(=O)CC2=CC(=O)N[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103751	1	46	-2.0	-92.26	375.27	-2.06	-94.32
COCC1(NC(=O)C2=NN(C)C(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103769	0	45	-2.0	-91.92	371.93	-2.46	-94.38
COCC1(NC(=O)C2=C[N-]N=CC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103815	0	44	-2.0	-81.06	358.83	-0.52	-81.58
COCC1(NC(=O)C2=CC(=O)N[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103871	0	43	-2.0	-86.19	354.61	-2.68	-88.87
COCC1(NC(=O)C(=O)[PH](C)(C)[O-])CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103875	0	48	-2.0	-87.06	388.73	-1.21	-88.27
COCC1(NC(=O)CC2=CC(=O)N(C)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103877	0	49	-2.0	-94.52	398.10	-0.34	-94.86
COCC1(NC(=O)CCC2=NC(=O)[N-]N2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103894	1	48	-2.0	-96.73	390.53	-3.06	-99.79
COCC1(NC(=O)C2=CC=CN([O-])C2=O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103896	0	46	-2.0	-101.79	374.85	1.54	-100.25
COCC1(NC(=O)C2=NC([O-])=C(C)S2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103915	1	45	-2.0	-95.60	381.37	-2.58	-98.18
COCC1(NC(=O)C2=CC(=O)N([O-])C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103927	0	46	-2.0	-101.32	377.63	1.37	-99.95
COCC1(NC(=O)C2=CC=CC(=O)N2[O-])CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029103947	0	46	-2.0	-112.62	374.78	2.23	-110.39
COCC1(NC(=O)CC2=NC([O-])=CS2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104038	0	45	-2.0	-102.24	381.11	-2.77	-105.01
COCC1(NC(=O)C2=N[N-]C(C)=CC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104166	0	47	-2.0	-93.28	383.34	0.96	-92.32
COCC1(NC(=O)C2=NC(=O)N[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104174	0	42	-2.0	-87.71	349.29	-3.93	-91.64
COCC1(NC(=O)C2=CC(=O)N(C)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104320	0	46	-2.0	-88.62	377.35	-0.97	-89.59
COCC1(NC(=O)C2=NC(=O)[N-]C(=O)N2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104391	0	44	-2.0	-83.98	368.38	-4.97	-88.95
COCC1(NC(=O)C2=NC(=O)NC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029104391	1	44	-2.0	-83.98	368.38	-4.97	-88.95
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=CC=C2O)CC1	REAL300029104727	0	45	-2.0	-100.89	369.25	1.18	-99.71
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300029104727	1	45	-2.0	-100.89	369.25	1.18	-99.71
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1	REAL300029104820	0	44	-2.0	-91.72	366.59	-4.35	-96.07
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2C(=O)[N-]NC2=O)CC1	REAL300029104910	0	46	-2.0	-95.78	383.46	-2.88	-98.66
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300029105754	1	42	-2.0	-85.66	349.23	-2.14	-87.80
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C([O-])C=C2F)CC1	REAL300029105821	1	46	-2.0	-90.35	378.23	0.76	-89.59
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1	REAL300029105824	0	45	-2.0	-91.93	375.27	-0.01	-91.94
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC(C)=CC=C2[O-])CC1	REAL300029105874	1	48	-2.0	-100.18	390.72	1.75	-98.43
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC2=NC(=O)[N-]N2)CC1	REAL300029105875	1	48	-2.0	-97.34	393.73	-2.75	-100.09
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300029105884	0	44	-2.0	-84.38	361.62	-0.75	-85.13
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1	REAL300029105891	0	46	-2.0	-103.17	377.94	2.02	-101.15
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC([O-])=C2F)CC1	REAL300029105949	1	46	-2.0	-99.25	378.24	0.77	-98.48
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300029106019	0	43	-2.0	-87.79	354.32	-2.21	-90.00
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(=O)[PH](C)(C)[O-])CC1	REAL300029106024	0	48	-2.0	-86.35	388.94	-1.27	-87.62
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1	REAL300029106072	0	46	-2.0	-100.81	379.09	1.21	-99.60
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NNC(=O)[N-]2)CC1	REAL300029106088	0	42	-2.0	-90.19	349.27	-3.64	-93.83
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CN([O-])C2=O)CC1	REAL300029106093	0	46	-2.0	-108.23	378.98	1.25	-106.98
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(F)=CC=C2O)CC1	REAL300029106195	0	46	-2.0	-94.14	381.50	1.41	-92.73
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300029106195	1	46	-2.0	-94.14	381.50	1.41	-92.73
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=CC(C)=C2O)CC1	REAL300029106237	0	48	-2.0	-100.66	386.73	2.10	-98.56
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=CC(C)=C2[O-])CC1	REAL300029106237	1	48	-2.0	-100.66	386.73	2.10	-98.56
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN=CC(O)=C2)CC1	REAL300029106293	0	45	-2.0	-91.21	367.02	-1.22	-92.43
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300029106293	1	45	-2.0	-91.21	367.02	-1.22	-92.43
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2=NC([O-])=CS2)CC1	REAL300029106378	0	45	-2.0	-109.83	384.30	-2.51	-112.34
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=N[N-]C(C)=CC2=O)CC1	REAL300029106477	0	47	-2.0	-91.78	383.74	1.51	-90.27
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1	REAL300029106492	0	46	-2.0	-107.48	377.46	1.60	-105.88
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1	REAL300029106536	0	45	-2.0	-93.04	372.00	-1.99	-95.03
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(F)C(O)=C2)CC1	REAL300029106655	0	46	-2.0	-96.25	379.35	0.73	-95.52
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1	REAL300029106655	1	46	-2.0	-96.25	379.35	0.73	-95.52
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1	REAL300029106702	0	44	-2.0	-88.04	367.40	-4.67	-92.71
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1	REAL300029106702	1	44	-2.0	-83.09	368.08	-3.91	-87.00
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN=C(N)[N-]C2=O)CC1	REAL300029106737	1	46	-2.0	-99.03	376.76	-2.13	-101.16
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=NC=C2[O-])CC1	REAL300029106819	0	45	-2.0	-94.07	369.84	-0.82	-94.89
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029106824	0	42	-2.0	-90.29	349.05	-2.26	-92.55
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC([O-])=C(C)S2)CC1	REAL300029106839	1	45	-2.0	-97.82	381.08	-1.39	-99.21
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1	REAL300029106935	0	46	-2.0	-85.83	378.36	-3.68	-89.51
CCN1[N-]C(C(=O)N2CCC(COC)(NC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029106976	0	49	-2.0	-90.13	399.17	0.47	-89.66
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1	REAL300029106992	0	46	-2.0	-89.14	377.38	-0.47	-89.61
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2=CC(=O)N[N-]2)CC1	REAL300029107070	1	46	-2.0	-97.43	378.48	-1.79	-99.22
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300029107074	1	46	-2.0	-91.27	379.32	0.77	-90.50
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=C(C)C=C2[O-])CC1	REAL300029107135	1	48	-2.0	-102.36	388.34	2.09	-100.27
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC([O-])=CS2)CC1	REAL300029107148	0	43	-2.0	-94.42	364.16	-0.37	-94.79
COCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1	REAL300029107159	0	46	-2.0	-100.37	378.98	1.21	-99.16
C[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029107701	1	44	-2.0	-93.93	368.25	1.28	-92.65
C[C@@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108008	0	44	-2.0	-76.31	358.39	0.57	-75.74
C[C@@H]1CN(C(=O)CCCN2C(=O)[N-]NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108558	0	45	-2.0	-88.78	374.68	-0.52	-89.30
CC(C)CN1[N-]C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)=CC1=O	REAL300029108755	0	51	-2.0	-94.98	407.50	3.26	-91.72
C[C@@H]1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029108849	0	43	-2.0	-87.73	362.43	-3.23	-90.96
CC(=O)[N-]C1=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)=CS1	REAL300029108850	1	41	-2.0	-83.02	349.23	0.42	-82.60
C[C@@H]1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109064	1	44	-2.0	-94.32	368.18	0.92	-93.40
COC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)NC(=O)[N-]C1=O	REAL300029109209	1	42	-2.0	-89.66	357.40	-3.67	-93.33
C[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109360	0	37	-2.0	-87.33	318.75	-4.70	-92.03
C[C@@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029109502	0	39	-2.0	-88.79	332.17	-1.76	-90.55
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C(=O)[N-]C(C(C)C)=N1	REAL300029109545	1	49	-2.0	-93.76	397.70	1.49	-92.27
C[C@@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110597	0	39	-2.0	-99.28	329.62	2.28	-97.00
C[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110804	0	39	-2.0	-84.39	324.99	-2.91	-87.30
C[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110820	1	35	-2.0	-81.84	294.35	-1.30	-83.14
C[C@@H]1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029110883	1	47	-2.0	-93.56	384.11	1.83	-91.73
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)=CC1=O	REAL300029111104	0	42	-2.0	-86.23	343.57	1.26	-84.97
C[C@@H]1CN(C(=O)CC2=CC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111115	1	39	-2.0	-91.20	323.11	-0.98	-92.18
C[C@@H]1CN(C(=O)C2=CC=CC(=S)N2[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111142	0	39	-2.0	-111.13	344.25	2.89	-108.24
C[C@@H]1CN(C(=O)CC2SC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111161	0	39	-2.0	-83.13	340.59	-2.13	-85.26
C[C@@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111181	0	38	-2.0	-89.25	320.74	-0.99	-90.24
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C(=O)NC(C2CC2)=N1	REAL300029111313	0	47	-2.0	-94.32	387.88	1.70	-92.62
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C(=O)[N-]C(C2CC2)=N1	REAL300029111313	1	47	-2.0	-94.32	387.88	1.70	-92.62
C[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111329	0	37	-2.0	-77.86	304.54	-0.02	-77.88
C[C@@H]1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111373	0	41	-2.0	-96.71	345.08	0.82	-95.89
C[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111500	0	36	-2.0	-83.74	302.75	-1.21	-84.95
C[C@@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111505	0	41	-2.0	-83.18	338.05	0.28	-82.90
C[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111559	0	39	-2.0	-107.85	332.63	2.41	-105.44
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C(=O)N1	REAL300029111585	0	41	-2.0	-90.11	351.06	-0.01	-90.12
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C(=O)[N-]1	REAL300029111585	1	41	-2.0	-90.11	351.06	-0.01	-90.12
CC1SC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)=NC1=O	REAL300029111613	0	38	-2.0	-94.85	329.52	-0.40	-95.25
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)S1	REAL300029111613	1	38	-2.0	-94.85	329.52	-0.40	-95.25
C[C@@H]1CN(C(=O)C2=CC(=O)C=C(Cl)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111637	0	38	-2.0	-80.43	329.38	2.04	-78.39
C[C@@H]1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111637	1	38	-2.0	-80.43	329.38	2.04	-78.39
C[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111665	0	39	-2.0	-99.15	322.90	2.06	-97.09
C[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111740	0	39	-2.0	-110.13	323.36	2.76	-107.37
C[C@@H]1CN(C(=O)C[N-]C(=O)C(F)(F)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111958	0	38	-2.0	-83.32	336.61	-1.47	-84.79
C[C@@H]1CN(C(=O)CC2=C([O-])N=C(N)S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029111959	0	40	-2.0	-101.83	347.55	-2.35	-104.18
C[C@@H]1CN(C(=O)CC2=NC([O-])=CS2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112038	0	38	-2.0	-101.44	328.96	-1.70	-103.14
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C(=O)[N-]1	REAL300029112070	1	43	-2.0	-92.31	357.42	0.63	-91.68
C[C@@H]1CN(C(=O)CN2N=CC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112084	0	40	-2.0	-92.75	338.46	-3.19	-95.94
C[C@@H]1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112184	0	35	-2.0	-85.24	323.23	-0.44	-85.68
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C(=O)N1	REAL300029112324	0	44	-2.0	-89.53	362.88	-1.25	-90.78
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C(=O)[N-]1	REAL300029112324	1	44	-2.0	-89.53	362.88	-1.25	-90.78
C[C@@H]1CN(C(=O)C2=CN=C(CC3CC3)NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112339	0	47	-2.0	-88.91	380.63	2.07	-86.84
C[C@@H]1CN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112339	1	47	-2.0	-88.91	380.63	2.07	-86.84
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)=N[N-]1	REAL300029112447	0	40	-2.0	-87.78	328.29	2.29	-85.49
C[C@@H]1CN(C(=O)C2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112470	0	35	-2.0	-85.40	293.93	-2.86	-88.26
C[C@@H]1CN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112500	0	40	-2.0	-86.41	343.91	1.15	-85.26
C[C@@H]1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112500	1	40	-2.0	-86.41	343.91	1.15	-85.26
C[C@@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112663	0	38	-2.0	-96.53	333.84	-0.52	-97.05
C[C@@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112949	0	39	-2.0	-85.79	325.62	0.51	-85.28
C[C@@H]1CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112959	1	42	-2.0	-97.02	355.65	-0.74	-97.76
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029112963	0	39	-2.0	-88.24	343.57	-1.42	-89.66
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H](C)C2)C(=S)[N-]C(=O)N1	REAL300029112964	1	41	-2.0	-96.97	356.32	-0.41	-97.38
C[C@@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113229	0	37	-2.0	-89.48	312.52	-3.88	-93.36
C[C@@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113229	1	37	-2.0	-82.70	319.12	-3.34	-86.04
C[C@@H]1CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113329	0	41	-2.0	-90.60	349.07	-5.55	-96.15
C[C@@H]1CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113329	1	41	-2.0	-83.78	353.05	-5.17	-88.95
C[C@@H]1CN(C(=O)CN2[N-]C(=O)C=CC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029113508	0	41	-2.0	-89.70	348.27	-0.78	-90.48
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300029113753	1	38	-2.0	-93.61	311.27	2.02	-91.59
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300029113874	1	44	-2.0	-93.78	363.92	0.50	-93.28
CC(=O)[N-]C1=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=CS1	REAL300029113887	1	41	-2.0	-83.04	353.52	0.71	-82.33
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300029113919	0	37	-2.0	-86.74	311.38	-3.64	-90.38
COC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)NC(=O)[N-]C1=O	REAL300029113979	1	42	-2.0	-89.54	357.37	-3.64	-93.18
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300029114161	0	39	-2.0	-88.39	327.92	-2.12	-90.51
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300029114216	0	43	-2.0	-89.75	361.47	0.77	-88.98
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCN1C(=O)[N-]NC1=O	REAL300029115216	0	45	-2.0	-88.20	370.45	-0.86	-89.06
CC(C)CN1[N-]C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=CC1=O	REAL300029115391	0	51	-2.0	-94.24	407.30	3.23	-91.01
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300029115447	1	44	-2.0	-91.07	362.08	0.96	-90.11
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300029116370	0	43	-2.0	-87.15	358.18	-3.65	-90.80
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300029116378	0	41	-2.0	-89.09	348.30	3.64	-85.45
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300029116397	1	39	-2.0	-91.29	335.81	3.57	-87.72
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300029116435	1	40	-2.0	-85.98	343.65	2.13	-83.85
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(N)C(Cl)=C1[O-]	REAL300029116465	0	41	-2.0	-95.82	346.46	0.88	-94.94
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300029116521	0	41	-2.0	-101.53	343.01	4.47	-97.06
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=O)[N-]1	REAL300029116555	1	43	-2.0	-89.60	351.01	0.37	-89.23
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300029116581	1	35	-2.0	-86.86	294.19	-1.37	-88.23
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300029116690	0	38	-2.0	-83.44	336.66	-1.47	-84.91
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300029116691	0	40	-2.0	-101.83	347.91	-2.26	-104.09
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C=C1F	REAL300029116729	1	39	-2.0	-87.24	329.76	1.85	-85.39
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=C2SC=CC2=C1	REAL300029116737	1	42	-2.0	-90.12	356.14	2.84	-87.28
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300029116740	0	38	-2.0	-87.08	326.33	1.25	-85.83
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300029116753	1	40	-2.0	-84.43	339.35	1.93	-82.50
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300029116759	0	38	-2.0	-87.39	331.07	1.65	-85.74
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1	REAL300029116763	0	41	-2.0	-86.81	355.34	-1.00	-87.81
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300029116779	0	40	-2.0	-92.08	338.30	-3.25	-95.33
CC1=CC=C([O-])C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=N1	REAL300029116882	1	41	-2.0	-94.26	333.46	2.74	-91.52
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300029116911	0	37	-2.0	-78.18	305.87	0.26	-77.92
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300029116923	0	39	-2.0	-98.26	324.17	2.46	-95.80
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC([O-])=C1F	REAL300029117060	1	39	-2.0	-95.07	324.46	1.57	-93.50
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300029117140	0	41	-2.0	-90.34	345.93	3.39	-86.95
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300029117210	0	36	-2.0	-83.96	302.88	-1.17	-85.13
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300029117217	0	41	-2.0	-82.78	338.15	0.32	-82.46
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)C=C([O-])C1=CC=CC=N1	REAL300029117249	0	44	-2.0	-98.82	371.16	3.17	-95.65
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(CC2CC2)NC1=O	REAL300029117271	0	47	-2.0	-89.47	380.82	1.97	-87.50
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(CC2CC2)[N-]C1=O	REAL300029117271	1	47	-2.0	-89.47	380.82	1.97	-87.50
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=O)N1	REAL300029117289	0	44	-2.0	-90.16	363.94	-1.39	-91.55
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=O)[N-]1	REAL300029117289	1	44	-2.0	-90.16	363.94	-1.39	-91.55
CC1=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=CC([N+](=O)[O-])=C1[O-]	REAL300029117298	0	44	-2.0	-89.40	366.79	4.26	-85.14
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300029117349	0	39	-2.0	-97.03	325.15	2.04	-94.99
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL300029117388	0	39	-2.0	-89.22	342.07	1.94	-87.28
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300029117390	0	35	-2.0	-81.21	293.81	-2.03	-83.24
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300029117403	0	39	-2.0	-105.29	324.99	2.13	-103.16
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C=C(C#N)C(=O)[N-]C1=O	REAL300029117576	0	42	-2.0	-96.06	362.72	-0.96	-97.02
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC=C1O	REAL300029117647	0	39	-2.0	-90.95	325.49	3.13	-87.82
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300029117647	1	39	-2.0	-90.95	325.49	3.13	-87.82
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=C1O	REAL300029117747	0	41	-2.0	-93.75	332.16	2.86	-90.89
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=C1[O-]	REAL300029117747	1	41	-2.0	-93.75	332.16	2.86	-90.89
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300029117806	0	39	-2.0	-93.80	341.43	3.62	-90.18
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=CC([O-])=C1	REAL300029117929	1	38	-2.0	-88.42	317.67	-0.07	-88.49
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300029117943	0	39	-2.0	-109.97	336.56	3.16	-106.81
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300029118103	1	47	-2.0	-90.66	376.66	1.72	-88.94
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300029118118	1	41	-2.0	-90.84	351.47	0.20	-90.64
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300029118122	0	38	-2.0	-79.54	330.01	1.09	-78.45
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N	REAL300029118189	0	43	-2.0	-92.30	361.72	1.65	-90.65
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300029118196	1	39	-2.0	-86.76	338.45	2.28	-84.48
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300029118198	0	42	-2.0	-90.91	352.84	1.33	-89.58
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=NC([O-])=CS1	REAL300029118210	0	38	-2.0	-100.81	328.80	-1.74	-102.55
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300029118236	0	41	-2.0	-89.05	344.04	-1.12	-90.17
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300029118241	0	39	-2.0	-92.09	329.52	2.20	-89.89
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300029118380	0	39	-2.0	-83.02	340.84	-2.14	-85.16
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300029118408	0	39	-2.0	-88.37	331.82	1.86	-86.51
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029118412	1	40	-2.0	-80.47	341.71	0.29	-80.18
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300029118418	0	39	-2.0	-93.33	333.97	2.94	-90.39
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=N[N-]1	REAL300029118457	0	40	-2.0	-86.96	328.06	2.10	-84.86
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300029118461	0	44	-2.0	-98.31	363.59	2.18	-96.13
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300029118493	0	39	-2.0	-105.34	325.43	2.54	-102.80
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300029118531	0	39	-2.0	-85.21	334.69	-0.12	-85.33
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300029118532	0	41	-2.0	-90.56	353.42	-5.13	-95.69
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300029118532	1	41	-2.0	-83.86	353.37	-5.07	-88.93
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300029118561	0	41	-2.0	-83.48	349.46	3.34	-80.14
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300029118605	0	38	-2.0	-87.43	316.38	-1.29	-88.72
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300029118643	0	41	-2.0	-82.35	348.06	-0.62	-82.97
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300029118689	0	40	-2.0	-87.69	338.79	2.81	-84.88
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300029118829	0	39	-2.0	-87.79	330.77	-0.44	-88.23
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300029118870	0	39	-2.0	-86.87	340.50	2.95	-83.92
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300029118899	1	39	-2.0	-93.02	326.15	1.65	-91.37
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300029118908	1	44	-2.0	-104.15	359.92	3.53	-100.62
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300029118912	0	41	-2.0	-88.81	347.16	2.95	-85.86
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300029118916	0	41	-2.0	-85.94	347.25	3.74	-82.20
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300029118927	1	39	-2.0	-92.06	339.83	2.66	-89.40
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300029118951	0	41	-2.0	-83.92	345.44	2.21	-81.71
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029119040	0	37	-2.0	-82.04	313.29	-3.10	-85.14
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029119040	1	37	-2.0	-82.04	313.29	-3.10	-85.14
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300029119080	0	41	-2.0	-93.93	343.01	0.76	-93.17
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(O)C2=CC=CC=C2C=N1	REAL300029119122	0	44	-2.0	-98.42	357.12	4.46	-93.96
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300029119122	1	44	-2.0	-98.42	357.12	4.46	-93.96
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300029119123	0	35	-2.0	-85.41	315.90	-0.68	-86.09
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(N)NC1=O	REAL300029119143	0	39	-2.0	-90.03	323.97	-1.26	-91.29
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300029119143	1	39	-2.0	-90.03	323.97	-1.26	-91.29
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)[N-]C(=O)C(C#N)=C1	REAL300029119183	0	42	-2.0	-80.60	349.57	1.89	-78.71
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300029119273	0	39	-2.0	-86.67	344.95	2.34	-84.33
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029119279	0	40	-2.0	-81.94	339.33	1.01	-80.93
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029119279	1	40	-2.0	-81.94	339.33	1.01	-80.93
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300029119288	0	41	-2.0	-91.23	347.29	0.39	-90.84
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300029119296	0	38	-2.0	-91.27	331.61	2.99	-88.28
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC=C(O)C(Cl)=C1	REAL300029119303	0	42	-2.0	-92.62	359.91	3.10	-89.52
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300029119303	1	42	-2.0	-92.62	359.91	3.10	-89.52
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029119363	0	35	-2.0	-88.59	294.00	-1.40	-89.99
CC1SC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=NC1=O	REAL300029119404	0	38	-2.0	-94.85	329.75	-0.42	-95.27
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)S1	REAL300029119404	1	38	-2.0	-94.85	329.75	-0.42	-95.27
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(O)C2=CC=CC=C2C=C1	REAL300029119476	0	45	-2.0	-98.44	362.83	4.77	-93.67
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300029119476	1	45	-2.0	-98.44	362.83	4.77	-93.67
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=CC=CC=C2C=C1O	REAL300029119485	0	45	-2.0	-99.98	365.21	5.33	-94.65
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300029119485	1	45	-2.0	-99.98	365.21	5.33	-94.65
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)C1=CC=C(O)C=C1	REAL300029119534	0	41	-2.0	-86.16	345.69	1.62	-84.54
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300029119534	1	41	-2.0	-86.16	345.69	1.62	-84.54
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300029119566	0	38	-2.0	-96.30	334.06	-0.47	-96.77
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)C=C(Cl)N1	REAL300029119598	0	38	-2.0	-80.33	329.61	2.07	-78.26
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029119598	1	38	-2.0	-80.33	329.61	2.07	-78.26
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=O)N1	REAL300029119627	0	41	-2.0	-90.68	351.91	-0.09	-90.77
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=O)[N-]1	REAL300029119627	1	41	-2.0	-90.68	351.91	-0.09	-90.77
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300029119636	0	39	-2.0	-84.39	326.87	-2.66	-87.05
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=CC1=O	REAL300029119725	0	42	-2.0	-86.08	343.75	1.28	-84.80
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CNC(=O)C1=NC=CC=C1O	REAL300029119736	0	45	-2.0	-97.76	373.27	0.23	-97.53
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CNC(=O)C1=NC=CC=C1[O-]	REAL300029119736	1	45	-2.0	-97.76	373.27	0.23	-97.53
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300029119746	0	39	-2.0	-85.72	321.85	0.26	-85.46
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300029119761	0	39	-2.0	-88.19	343.52	-1.41	-89.60
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC(=O)N[N-]1	REAL300029119927	1	39	-2.0	-91.07	327.18	-0.66	-91.73
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300029119934	1	39	-2.0	-89.55	326.12	1.70	-87.85
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300029119995	0	39	-2.0	-86.35	329.73	1.71	-84.64
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300029120000	0	38	-2.0	-90.66	330.38	1.67	-88.99
CC1=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=O)N(C)[N-]1	REAL300029120021	0	45	-2.0	-93.71	365.79	1.36	-92.35
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC(=O)C1=CC=C([O-])C=C1	REAL300029120030	1	47	-2.0	-89.14	389.68	3.57	-85.57
CC1=CN=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C([O-])=C1	REAL300029120071	1	41	-2.0	-94.88	332.69	2.66	-92.22
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CS1	REAL300029120109	0	36	-2.0	-92.07	313.53	0.70	-91.37
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300029120133	0	39	-2.0	-95.90	333.42	2.46	-93.44
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300029120141	0	39	-2.0	-87.15	345.53	2.75	-84.40
C[C@@H]1CN(C(=O)C2=CN([O-])C(=O)NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029120189	0	39	-2.0	-89.65	337.74	-0.19	-89.84
C[C@@H]1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029120229	1	40	-2.0	-78.10	344.82	0.45	-77.65
O=C(C1=CC(=O)[N-]O1)N1CCC2CCCC(C1)N2C(=O)C1=NNC(=O)[N-]C1=O	REAL300029121153	0	44	-2.0	-86.73	349.42	-1.14	-87.87
O=C(CN1C(=O)[N-]NC1=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121214	0	46	-2.0	-89.09	359.34	-0.02	-89.11
O=C(C1=CC(=O)[N-]O1)N1CCC2CCCC(C1)N2C(=O)C1=CN([O-])C(=O)C=C1	REAL300029121642	0	46	-2.0	-98.04	363.44	4.55	-93.49
O=C(C1=CC(=O)[N-]O1)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)NC([O-])=C1	REAL300029121730	0	46	-2.0	-82.95	353.58	-0.46	-83.41
O=C(C1=COC(=O)[N-]1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121741	1	42	-2.0	-84.41	326.96	1.30	-83.11
CCN1[N-]C(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)=CC1=O	REAL300029121865	0	49	-2.0	-85.82	377.28	3.98	-81.84
O=C(CC1=CC(=O)N[N-]1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029121872	1	46	-2.0	-91.06	359.20	1.41	-89.65
CN1N=C(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)[N-]C1=O	REAL300029121899	0	45	-2.0	-88.68	354.08	1.30	-87.38
O=C(C1=CC(=O)[N-]O1)N1CCC2CCCC(C1)N2C(=O)C1=C[N-]N=CC1=O	REAL300029121962	0	44	-2.0	-80.69	333.69	2.17	-78.52
O=C(C1=CC(=O)N[N-]1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122033	0	43	-2.0	-82.20	336.20	1.14	-81.06
C[PH](C)([O-])C(=O)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122038	0	48	-2.0	-82.46	366.47	1.65	-80.81
O=C(C1=CC(=O)[N-]O1)N1CCC2CCCC(C1)N2C(=O)C1=CC=CN([O-])C1=O	REAL300029122063	0	46	-2.0	-110.33	362.04	4.89	-105.44
CC1SC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)=NC1=O	REAL300029122084	0	45	-2.0	-90.70	359.11	2.14	-88.56
CC1=C([O-])N=C(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)S1	REAL300029122084	1	45	-2.0	-90.70	359.11	2.14	-88.56
O=C(C1=CC(=O)[N-]O1)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)N([O-])C=C1	REAL300029122102	0	46	-2.0	-98.32	362.72	4.54	-93.78
O=C(C1=CC(=O)[N-]O1)N1CCC2CCCC(C1)N2C(=O)C1=CC=CC(=O)N1[O-]	REAL300029122127	0	46	-2.0	-110.35	362.43	4.82	-105.53
O=C(CC1=NC([O-])=CS1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122246	0	45	-2.0	-101.23	365.05	0.70	-100.53
CC1=CC(=O)C(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)=N[N-]1	REAL300029122416	0	47	-2.0	-87.41	366.58	4.72	-82.69
O=C(C1=NC(=O)N[N-]1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029122427	0	42	-2.0	-83.34	326.94	0.72	-82.62
CN1[N-]C(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)CC3)=CC1=O	REAL300029122628	0	46	-2.0	-85.14	355.47	3.06	-82.08
O=C(C1=CC(=O)[N-]O1)N1CCC2CCCC(C1)N2C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029122734	0	44	-2.0	-87.28	345.71	-1.27	-88.55
O=C(C1=CC(=O)[N-]O1)N1CCC2CCCC(C1)N2C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029122734	1	44	-2.0	-79.75	342.34	-0.75	-80.50
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=NC=CC=C1[O-])CC2	REAL300029123089	1	45	-2.0	-95.69	344.43	4.69	-91.00
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=NNC(=O)[N-]C1=O)CC2	REAL300029123192	0	44	-2.0	-91.49	346.82	-1.15	-92.64
O=C(CN1C(=O)[N-]NC1=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029123300	0	46	-2.0	-89.82	361.35	0.05	-89.77
N#CC1=CC([O-])=CC(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029124236	1	47	-2.0	-81.65	368.71	3.87	-77.78
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=COC(=O)[N-]1)CC2	REAL300029124306	1	42	-2.0	-83.50	328.02	1.39	-82.11
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=C([O-])C=C1F)CC2	REAL300029124379	1	46	-2.0	-85.61	358.45	3.75	-81.86
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC([O-])=CC(=O)O1)CC2	REAL300029124384	0	45	-2.0	-83.52	352.93	3.22	-80.30
N#CC1=CC=C(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300029124387	1	47	-2.0	-84.60	368.31	3.99	-80.61
CC1=CC=C([O-])C(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=N1	REAL300029124446	1	48	-2.0	-94.97	361.85	5.70	-89.27
O=C(CCC1=NC(=O)[N-]N1)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124447	1	48	-2.0	-94.34	371.40	0.15	-94.19
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=C[N-]N=CC1=O)CC2	REAL300029124458	0	44	-2.0	-81.21	345.49	2.20	-79.01
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=CC(F)=C1[O-])CC2	REAL300029124465	0	46	-2.0	-97.55	357.98	3.87	-93.68
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=CC([O-])=C1F)CC2	REAL300029124537	1	46	-2.0	-95.01	358.26	3.74	-91.27
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC(=O)N[N-]1)CC2	REAL300029124612	0	43	-2.0	-82.73	332.72	0.89	-81.84
C[PH](C)([O-])C(=O)C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029124618	0	48	-2.0	-85.46	375.65	1.96	-83.50
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC(=O)N([O-])C=C1)CC2	REAL300029124677	0	46	-2.0	-95.93	360.85	4.42	-91.51
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=NC(=O)N[N-]1)CC2	REAL300029124694	0	42	-2.0	-82.75	327.50	0.33	-82.42
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=CN([O-])C1=O)CC2	REAL300029124699	0	46	-2.0	-104.45	361.74	4.36	-100.09
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC(F)=CC=C1O)CC2	REAL300029124819	0	46	-2.0	-89.36	358.57	4.00	-85.36
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC(F)=CC=C1[O-])CC2	REAL300029124819	1	46	-2.0	-89.36	358.57	4.00	-85.36
CC1=CC=NC(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300029124866	1	48	-2.0	-95.58	364.89	5.39	-90.19
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CN=CC([O-])=C1)CC2	REAL300029124934	1	45	-2.0	-88.31	342.95	1.74	-86.57
O=C(CC1=NC([O-])=CS1)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125036	0	45	-2.0	-101.79	365.17	0.65	-101.14
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=C([O-])C=CC=C1F)CC2	REAL300029125049	0	46	-2.0	-87.65	358.90	4.15	-83.50
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=C(F)C=C1[O-])CC2	REAL300029125050	0	46	-2.0	-91.94	358.19	3.91	-88.03
CC1=CC(=O)C(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029125159	0	47	-2.0	-86.35	357.23	4.99	-81.36
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=CC(=O)N1[O-])CC2	REAL300029125177	0	46	-2.0	-108.07	363.11	4.19	-103.88
N#CC1=CC=C(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029125197	0	46	-2.0	-85.14	371.46	2.07	-83.07
CN1N=C(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029125227	0	45	-2.0	-88.52	346.75	0.94	-87.58
N#CC1=CC=C(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300029125262	0	47	-2.0	-89.59	373.20	4.40	-85.19
N#CC1=CC=C([O-])C(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029125268	0	47	-2.0	-87.09	372.99	4.37	-82.72
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=C(F)C([O-])=C1)CC2	REAL300029125366	1	46	-2.0	-88.13	354.26	3.61	-84.52
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=NC(=O)[N-]C(=O)N1)CC2	REAL300029125424	0	44	-2.0	-79.50	345.90	-0.65	-80.15
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=NC(=O)NC(=O)[N-]1)CC2	REAL300029125424	1	44	-2.0	-79.50	345.90	-0.65	-80.15
NC1=NC=C(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029125464	0	46	-2.0	-88.42	358.03	0.88	-87.54
NC1=NC=C(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029125464	1	46	-2.0	-88.42	358.03	0.88	-87.54
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029125561	0	42	-2.0	-86.86	327.84	1.43	-85.43
CC1SC(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300029125578	0	45	-2.0	-89.63	359.67	1.77	-87.86
CC1=C([O-])N=C(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)S1	REAL300029125578	1	45	-2.0	-89.63	359.67	1.77	-87.86
O=C(C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC=C(O)C=C1	REAL300029125657	0	48	-2.0	-86.63	368.50	3.67	-82.96
O=C(C(=O)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC=C([O-])C=C1	REAL300029125657	1	48	-2.0	-86.63	368.50	3.67	-82.96
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC(=O)NC([O-])=C1)CC2	REAL300029125695	0	46	-2.0	-81.64	362.52	-0.54	-82.18
CCN1[N-]C(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029125740	0	49	-2.0	-85.78	376.88	3.44	-82.34
CN1[N-]C(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029125756	0	46	-2.0	-85.05	355.07	2.50	-82.55
O=C(CC1=CC(=O)NN1)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125846	0	46	-2.0	-92.46	356.47	1.22	-91.24
O=C(CC1=CC(=O)N[N-]1)N1CCC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029125846	1	46	-2.0	-92.46	356.47	1.22	-91.24
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=C([O-])C(F)=C1)CC2	REAL300029125850	1	46	-2.0	-89.77	353.21	3.53	-86.24
CC1=CN=C(C(=O)N2CCC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300029125919	1	48	-2.0	-97.22	365.98	5.34	-91.88
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC([O-])=CS1)CC2	REAL300029125932	0	43	-2.0	-93.11	339.27	2.49	-90.62
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CN([O-])C(=O)C=C1)CC2	REAL300029125945	0	46	-2.0	-95.43	360.39	4.38	-91.05
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300029126431	1	48	-2.0	-94.48	383.14	2.81	-91.67
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=NNC(=O)[N-]C1=O	REAL300029127398	0	41	-2.0	-86.41	328.49	-1.99	-88.40
O=C(CN1C(=O)[N-]NC1=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029127500	0	43	-2.0	-90.52	345.71	-0.48	-91.00
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=CN([O-])C(=O)C=C1	REAL300029128207	0	43	-2.0	-93.24	342.68	3.60	-89.64
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)NC([O-])=C1	REAL300029128338	0	43	-2.0	-80.81	347.29	-1.07	-81.88
O=C(C1=COC(=O)[N-]1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128349	1	39	-2.0	-86.72	311.99	0.27	-86.45
CCN1[N-]C(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029128542	0	46	-2.0	-86.53	361.42	2.84	-83.69
O=C(CC1=CC(=O)N[N-]1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128550	1	43	-2.0	-93.29	340.71	0.62	-92.67
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=CC=CC(=S)N1[O-]	REAL300029128570	0	43	-2.0	-109.60	358.23	4.26	-105.34
O=C(CC1SC(=O)[N-]C1=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128581	0	43	-2.0	-82.42	354.56	-0.92	-83.34
CN1N=C(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300029128598	0	42	-2.0	-87.88	334.15	0.38	-87.50
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=C[N-]N=CC1=O	REAL300029128695	0	41	-2.0	-83.59	330.51	1.67	-81.92
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300029128731	0	45	-2.0	-94.53	354.57	2.04	-92.49
O=C(C1=CC(=O)N[N-]1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128816	0	40	-2.0	-81.71	316.67	0.20	-81.51
C[PH](C)([O-])C(=O)C(=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029128821	0	45	-2.0	-82.58	355.44	1.09	-81.49
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=CC=CN([O-])C1=O	REAL300029128858	0	43	-2.0	-107.37	347.02	3.79	-103.58
CC1=C([O-])N=C(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029128893	1	42	-2.0	-94.68	343.84	0.95	-93.73
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029128907	1	42	-2.0	-78.58	347.53	3.70	-74.88
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)N([O-])C=C1	REAL300029128927	0	43	-2.0	-99.05	348.19	3.99	-95.06
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=CC=CC(=O)N1[O-]	REAL300029128970	0	43	-2.0	-106.31	347.12	3.63	-102.68
O=C(C[N-]C(=O)C(F)(F)F)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129108	0	42	-2.0	-83.00	350.46	-0.20	-83.20
NC1=NC([O-])=C(CC(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029129109	0	44	-2.0	-101.34	361.66	-0.97	-102.31
O=C(CC1=NC([O-])=CS1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129161	0	42	-2.0	-100.35	347.07	-0.00	-100.35
CCC1=NC=C(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029129182	1	47	-2.0	-85.47	356.41	1.42	-84.05
O=C(CN1N=CC(=O)[N-]C1=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129193	0	44	-2.0	-91.94	356.34	-1.60	-93.54
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300029129258	0	39	-2.0	-83.16	333.06	0.84	-82.32
CC1=CC(=O)C(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300029129433	0	44	-2.0	-87.20	345.68	3.89	-83.31
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=NC(=O)N[N-]1	REAL300029129449	0	39	-2.0	-86.08	311.39	-0.42	-86.50
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=CN=C(C=N[O-])S1	REAL300029129583	0	42	-2.0	-94.26	351.42	1.13	-93.13
COC1=NC(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC(=O)[N-]1	REAL300029129599	0	45	-2.0	-85.02	354.69	-1.27	-86.29
CN1[N-]C(C(=O)N2C3CCCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029129778	0	43	-2.0	-85.77	339.34	1.88	-83.89
O=C(CSC1=NNC(=O)[N-]1)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029129786	0	43	-2.0	-87.25	357.39	-0.06	-87.31
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029129961	0	41	-2.0	-82.58	330.83	-1.42	-84.00
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029129961	1	41	-2.0	-82.58	330.83	-1.42	-84.00
O=C(CN1[N-]C(=O)C=CC1=O)N1C2CCCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029130130	0	45	-2.0	-88.87	362.11	0.53	-88.34
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=NC=CC=C1O)C2	REAL300029130384	0	42	-2.0	-93.19	331.28	3.60	-89.59
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=NC=CC=C1[O-])C2	REAL300029130384	1	42	-2.0	-93.19	331.28	3.60	-89.59
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300029130519	0	41	-2.0	-86.60	329.41	-2.04	-88.64
O=C(CN1C(=O)[N-]NC1=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029130712	0	43	-2.0	-89.85	345.69	-0.41	-90.26
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300029131676	1	48	-2.0	-93.99	374.53	2.37	-91.62
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC(Cl)=CC=C1[O-])C2	REAL300029132364	1	43	-2.0	-88.82	354.94	4.05	-84.77
N#CC1=CC([O-])=CC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029132391	1	44	-2.0	-80.90	355.70	3.45	-77.45
CCC1=NC=C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029132490	1	47	-2.0	-92.32	363.70	1.72	-90.60
O=C(C1=COC(=O)[N-]1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132510	1	39	-2.0	-87.36	311.90	0.35	-87.01
O=C(C[N-]C(=O)C(F)(F)F)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132587	0	42	-2.0	-82.05	350.20	-0.14	-82.19
NC1=NC([O-])=C(CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)S1	REAL300029132588	0	44	-2.0	-101.47	361.63	-0.92	-102.39
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=C(F)C=C([O-])C=C1F)C2	REAL300029132598	0	43	-2.0	-80.74	345.96	3.24	-77.50
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=C([O-])C=C1F)C2	REAL300029132614	1	43	-2.0	-85.04	343.72	3.23	-81.81
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC([O-])=CC(=O)O1)C2	REAL300029132620	0	42	-2.0	-82.65	339.92	2.70	-79.95
N#CC1=CC=C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300029132629	1	44	-2.0	-90.46	356.66	3.59	-86.87
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC(Cl)=NC=C1[O-])C2	REAL300029132633	0	42	-2.0	-85.11	350.25	2.02	-83.09
N#CC1=CC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=C(N)[N-]C1=O	REAL300029132639	0	45	-2.0	-82.86	368.62	0.33	-82.53
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132656	0	44	-2.0	-92.12	356.31	-1.55	-93.67
CC1=CC=C([O-])C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=N1	REAL300029132727	1	45	-2.0	-96.92	350.93	4.44	-92.48
O=C(CCC1=NNC(=O)[N-]1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132729	0	45	-2.0	-87.60	356.04	0.25	-87.35
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300029132748	0	41	-2.0	-81.14	325.48	1.78	-79.36
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=CC(F)=C1[O-])C2	REAL300029132759	0	43	-2.0	-94.71	343.26	3.66	-91.05
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=CC([O-])=C1F)C2	REAL300029132863	1	43	-2.0	-94.32	343.55	3.30	-91.02
O=C(C1=CC(=O)N[N-]1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132988	0	40	-2.0	-83.57	316.78	0.26	-83.31
C[PH](C)([O-])C(=O)C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029132994	0	45	-2.0	-82.48	356.07	1.20	-81.28
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300029133102	0	43	-2.0	-100.38	345.22	3.82	-96.56
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300029133131	0	39	-2.0	-86.03	311.25	-0.41	-86.44
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=C(O)C=CC=C1Cl)C2	REAL300029133135	0	43	-2.0	-85.48	348.76	4.07	-81.41
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=C([O-])C=CC=C1Cl)C2	REAL300029133135	1	43	-2.0	-85.48	348.76	4.07	-81.41
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300029133140	0	43	-2.0	-108.53	339.48	3.67	-104.86
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=C(F)C=CC(O)=C1F)C2	REAL300029133170	0	43	-2.0	-86.06	345.90	3.20	-82.86
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=C(F)C=CC([O-])=C1F)C2	REAL300029133170	1	43	-2.0	-86.06	345.90	3.20	-82.86
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC(F)=CC=C1O)C2	REAL300029133332	0	43	-2.0	-88.32	344.62	3.59	-84.73
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC(F)=CC=C1[O-])C2	REAL300029133332	1	43	-2.0	-88.32	344.62	3.59	-84.73
CC1=CC=NC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=C1O	REAL300029133399	0	45	-2.0	-96.32	349.62	4.54	-91.78
CC1=CC=NC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300029133399	1	45	-2.0	-96.32	349.62	4.54	-91.78
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CN=CC(O)=C1)C2	REAL300029133530	0	42	-2.0	-83.52	331.66	1.42	-82.10
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CN=CC([O-])=C1)C2	REAL300029133530	1	42	-2.0	-83.52	331.66	1.42	-82.10
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=CC(=S)N1[O-])C2	REAL300029133540	0	43	-2.0	-112.18	353.90	4.20	-107.98
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=C([O-])C(Cl)=N1)C2	REAL300029133668	0	42	-2.0	-84.56	348.47	2.77	-81.79
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=C(O)C=C1Cl)C2	REAL300029133714	0	43	-2.0	-84.18	351.46	3.62	-80.56
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=C([O-])C=C1Cl)C2	REAL300029133714	1	43	-2.0	-84.18	351.46	3.62	-80.56
N#CC1=CC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=C([O-])C=C1N	REAL300029133716	0	46	-2.0	-87.97	371.92	1.90	-86.07
O=C(CC1=NC([O-])=CS1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133726	0	42	-2.0	-100.96	346.81	-0.05	-101.01
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133743	0	45	-2.0	-88.74	362.07	0.56	-88.18
O=C(CC1SC(=O)[N-]C1=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133860	0	43	-2.0	-83.12	354.40	-0.83	-83.95
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=C([O-])C(F)=C1F)C2	REAL300029133886	0	43	-2.0	-86.32	350.93	3.38	-82.94
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=CC(Cl)=C1[O-])C2	REAL300029133893	0	43	-2.0	-90.17	353.06	4.13	-86.04
CC1=CC(=O)C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029133924	0	44	-2.0	-86.97	347.05	3.78	-83.19
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029133928	0	48	-2.0	-99.97	377.46	3.61	-96.36
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300029133952	0	43	-2.0	-109.06	342.79	3.57	-105.49
N#CC1=CC=C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029133985	0	43	-2.0	-89.06	349.29	1.36	-87.70
CN1N=C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029134040	0	42	-2.0	-88.72	334.16	0.35	-88.37
[N-]=[N+]=NC1=CC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=CC=C1[O-]	REAL300029134066	0	45	-2.0	-84.09	364.31	1.00	-83.09
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=C(F)C=CC(O)=C1O)C2	REAL300029134102	0	44	-2.0	-87.10	349.44	1.68	-85.42
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=C(F)C=CC(O)=C1[O-])C2	REAL300029134102	1	44	-2.0	-87.10	349.44	1.68	-85.42
N#CC1=CC=C([O-])C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=C1	REAL300029134112	0	44	-2.0	-86.22	359.04	3.97	-82.25
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CN([O-])C(=O)NC1=O)C2	REAL300029134214	0	43	-2.0	-84.91	344.28	1.11	-83.80
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=C(F)C(O)=C1)C2	REAL300029134273	0	43	-2.0	-91.70	342.68	3.20	-88.50
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=C(F)C([O-])=C1)C2	REAL300029134273	1	43	-2.0	-91.70	342.68	3.20	-88.50
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=C(Cl)C=C1O)C2	REAL300029134293	0	43	-2.0	-91.43	353.78	4.11	-87.32
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=C(Cl)C=C1[O-])C2	REAL300029134293	1	43	-2.0	-91.43	353.78	4.11	-87.32
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300029134371	0	41	-2.0	-90.74	330.37	-2.17	-92.91
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300029134371	1	41	-2.0	-82.75	331.01	-1.36	-84.11
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2	REAL300029134392	0	45	-2.0	-90.56	359.04	2.21	-88.35
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=C(Cl)C(=O)[N-]S1)C2	REAL300029134423	0	39	-2.0	-85.00	336.83	1.00	-84.00
NC1=NC=C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029134441	1	43	-2.0	-93.54	337.64	0.16	-93.38
CC1=C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300029134467	0	46	-2.0	-86.63	374.94	2.24	-84.39
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=C(F)C([O-])=C1F)C2	REAL300029134484	0	43	-2.0	-93.79	350.89	3.37	-90.42
COC1=NC(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300029134535	0	45	-2.0	-86.66	358.64	-1.20	-87.86
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=C3N[N-]N=C3C1=O)C2	REAL300029134536	0	45	-2.0	-85.25	355.07	1.75	-83.50
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=NC=CC(Cl)=C1[O-])C2	REAL300029134546	0	42	-2.0	-91.91	345.70	4.44	-87.47
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=C(Cl)C([O-])=C1)C2	REAL300029134586	0	43	-2.0	-87.87	352.47	3.69	-84.18
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=NC=C1[O-])C2	REAL300029134596	0	42	-2.0	-91.41	332.12	1.66	-89.75
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134602	0	39	-2.0	-88.60	311.73	0.22	-88.38
CC1=C([O-])N=C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)S1	REAL300029134628	1	42	-2.0	-88.56	343.98	1.13	-87.43
O=C(C(=O)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC=C([O-])C=C1	REAL300029134727	1	45	-2.0	-85.19	354.94	3.31	-81.88
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CN=C(C=N[O-])S1)C2	REAL300029134753	0	42	-2.0	-94.33	351.25	1.17	-93.16
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2	REAL300029134778	1	42	-2.0	-81.10	349.24	3.64	-77.46
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300029134803	0	43	-2.0	-81.01	342.77	-1.12	-82.13
CCN1[N-]C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029134867	0	46	-2.0	-84.71	361.41	2.83	-81.88
CN1[N-]C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029134889	0	43	-2.0	-84.12	339.69	1.89	-82.23
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029134901	0	43	-2.0	-87.30	357.00	-0.09	-87.39
O=C(CC1=CC(=O)N[N-]1)N1CC2CCCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029135049	1	43	-2.0	-90.20	340.96	0.65	-89.55
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=C([O-])C(F)=C1)C2	REAL300029135054	1	43	-2.0	-89.17	342.65	3.25	-85.92
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC(F)=C([O-])C(F)=C1)C2	REAL300029135108	0	43	-2.0	-86.34	349.18	3.28	-83.06
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC=NC(Cl)=C1[O-])C2	REAL300029135114	0	42	-2.0	-88.90	349.57	2.06	-86.84
CC1=C(CC(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300029135129	0	49	-2.0	-91.21	383.48	3.05	-88.16
CC1=CN=C(C(=O)N2CC3CCCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300029135167	1	45	-2.0	-94.67	350.69	4.59	-90.08
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CC([O-])=CS1)C2	REAL300029135192	0	40	-2.0	-91.54	327.05	2.10	-89.44
O=C(C1=CC(=O)[N-]O1)N1C2CCCC1CN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300029135208	0	43	-2.0	-95.81	345.22	3.81	-92.00
O=C(C1=CC(=O)[N-]O1)N1CC2CCCC(C1)N2C(=O)C1=CN([O-])C(=O)NC1=O	REAL300029135243	0	43	-2.0	-88.70	352.63	1.36	-87.34
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300029136442	0	40	-2.0	-115.02	328.33	-2.34	-117.36
CC1(F)CN(C(=O)CN2C(=O)[N-]NC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029136526	0	42	-2.0	-119.17	352.78	-0.88	-120.05
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300029137112	0	42	-2.0	-121.93	338.17	2.94	-118.99
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300029137226	0	42	-2.0	-121.53	353.93	-1.44	-122.97
CC1(F)CN(C(=O)C2=COC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029137237	1	38	-2.0	-102.51	312.45	1.01	-101.50
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)=CC1=O	REAL300029137406	0	45	-2.0	-113.38	362.42	2.44	-110.94
CC1(F)CN(C(=O)CC2=CC(=O)N[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029137413	1	42	-2.0	-117.75	343.59	0.02	-117.73
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300029137428	0	42	-2.0	-142.25	346.98	4.82	-137.43
CN1N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)[N-]C1=O	REAL300029137452	0	41	-2.0	-117.97	335.49	-0.04	-118.01
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300029137540	0	40	-2.0	-97.85	319.42	0.85	-97.00
CC1(F)CN(C(=O)C2=CC(=O)N[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029137635	0	39	-2.0	-109.12	317.86	-0.20	-109.32
CC1(F)CN(C(=O)C(=O)[PH](C)(C)[O-])CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029137640	0	44	-2.0	-111.88	353.22	1.22	-110.66
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300029137670	0	42	-2.0	-157.46	354.04	3.50	-153.96
CC1SC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)=NC1=O	REAL300029137698	0	41	-2.0	-105.76	343.60	1.34	-104.42
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)S1	REAL300029137698	1	41	-2.0	-105.76	343.60	1.34	-104.42
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)C=C(Cl)N2)C1	REAL300029137711	0	41	-2.0	-102.95	347.66	3.63	-99.32
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300029137711	1	41	-2.0	-102.95	347.66	3.63	-99.32
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300029137728	0	42	-2.0	-116.02	349.77	3.25	-112.77
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300029137761	0	42	-2.0	-140.53	335.86	3.81	-136.72
CC1(F)CN(C(=O)C[N-]C(=O)C(F)(F)F)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029137881	0	41	-2.0	-108.89	352.99	-0.77	-109.66
CC1(F)CN(C(=O)CC2=C([O-])N=C(N)S2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029137882	0	43	-2.0	-119.59	364.34	-1.57	-121.16
CC1(F)CN(C(=O)CC2=NC([O-])=CS2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029137926	0	41	-2.0	-129.43	353.64	-0.48	-129.91
CC1(F)CN(C(=O)CN2N=CC(=O)[N-]C2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029137953	0	43	-2.0	-113.34	359.03	-2.16	-115.50
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)=N[N-]1	REAL300029138155	0	43	-2.0	-113.13	347.17	3.61	-109.52
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NNC(=O)[N-]2)C1	REAL300029138170	0	38	-2.0	-116.11	312.54	-1.79	-117.90
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300029138278	0	41	-2.0	-122.54	346.42	0.12	-122.42
COC1=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)=CC(=O)[N-]1	REAL300029138291	0	44	-2.0	-114.45	349.43	-1.49	-115.94
CN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)=CC1=O	REAL300029138434	0	42	-2.0	-112.20	340.61	1.50	-110.70
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300029138586	0	40	-2.0	-108.20	329.84	-2.13	-110.33
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300029138586	1	40	-2.0	-103.94	330.27	-1.36	-105.30
CC1(F)CN(C(=O)CN2[N-]C(=O)C=CC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029138724	0	44	-2.0	-120.86	364.79	-0.05	-120.91
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300029138976	1	41	-2.0	-123.01	328.63	3.73	-119.28
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300029139097	0	40	-2.0	-115.02	328.33	-2.34	-117.36
CC1(F)CN(C(=O)CN2C(=O)[N-]NC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029139256	0	42	-2.0	-119.17	352.78	-0.88	-120.05
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300029140562	1	42	-2.0	-128.24	358.80	3.46	-124.78
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300029140587	1	43	-2.0	-103.15	353.47	2.76	-100.39
CC1(F)CN(C(=O)C2=COC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029140686	1	38	-2.0	-102.51	312.45	1.01	-101.50
CC1(F)CN(C(=O)C[N-]C(=O)C(F)(F)F)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029140752	0	41	-2.0	-108.89	352.99	-0.77	-109.66
CC1(F)CN(C(=O)CC2=C([O-])N=C(N)S2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029140753	0	43	-2.0	-119.59	364.34	-1.57	-121.16
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300029140762	0	42	-2.0	-105.63	352.46	2.77	-102.86
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300029140775	1	42	-2.0	-122.78	349.58	2.85	-119.93
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300029140781	0	41	-2.0	-105.63	334.24	1.82	-103.81
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300029140787	1	43	-2.0	-114.08	352.31	2.79	-111.29
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300029140790	0	41	-2.0	-124.33	354.11	1.46	-122.87
CC1(F)CN(C(=O)CN2N=CC(=O)[N-]C2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029140806	0	43	-2.0	-113.34	359.03	-2.16	-115.50
CC1=CC=C([O-])C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)=N1	REAL300029140866	1	44	-2.0	-124.02	350.20	4.31	-119.71
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300029140884	0	40	-2.0	-97.85	319.42	0.85	-97.00
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300029140893	0	42	-2.0	-127.80	336.56	3.90	-123.90
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300029140979	1	42	-2.0	-123.15	336.87	2.44	-120.71
CC1(F)CN(C(=O)C2=CC(=O)N[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029141077	0	39	-2.0	-109.12	317.86	-0.20	-109.32
CC1(F)CN(C(=O)C(=O)[PH](C)(C)[O-])CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029141083	0	44	-2.0	-111.88	353.22	1.22	-110.66
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300029141169	0	42	-2.0	-116.02	349.77	3.25	-112.77
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300029141193	0	38	-2.0	-105.75	312.58	-0.31	-106.06
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C(O)C=CC=C2Cl)C1	REAL300029141195	0	42	-2.0	-128.73	363.63	3.45	-125.28
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300029141195	1	42	-2.0	-128.73	363.63	3.45	-125.28
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300029141199	0	42	-2.0	-157.46	354.04	3.50	-153.96
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300029141228	0	42	-2.0	-134.88	360.53	3.03	-131.85
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300029141228	1	42	-2.0	-134.88	360.53	3.03	-131.85
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300029141363	0	42	-2.0	-127.13	348.47	3.03	-124.10
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300029141363	1	42	-2.0	-127.13	348.47	3.03	-124.10
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)=C1O	REAL300029141426	0	44	-2.0	-128.49	347.96	4.48	-124.01
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)=C1[O-]	REAL300029141426	1	44	-2.0	-128.49	347.96	4.48	-124.01
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN=CC(O)=C2)C1	REAL300029141530	0	41	-2.0	-118.67	335.75	0.90	-117.77
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300029141530	1	41	-2.0	-118.67	335.75	0.90	-117.77
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300029141540	0	42	-2.0	-142.25	346.98	4.82	-137.43
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300029141644	0	41	-2.0	-100.38	341.48	2.42	-97.96
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(O)C=C2Cl)C1	REAL300029141681	0	42	-2.0	-120.52	359.03	3.30	-117.22
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300029141681	1	42	-2.0	-120.52	359.03	3.30	-117.22
CC1(F)CN(C(=O)CC2=NC([O-])=CS2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029141692	0	41	-2.0	-129.43	353.64	-0.48	-129.91
CC1(F)CN(C(=O)CN2[N-]C(=O)C=CC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029141709	0	44	-2.0	-120.86	364.79	-0.05	-120.91
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300029141826	0	42	-2.0	-112.13	343.13	2.51	-109.62
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300029141832	0	42	-2.0	-122.30	346.36	4.37	-117.93
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)=N[N-]1	REAL300029141860	0	43	-2.0	-113.13	347.17	3.61	-109.52
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300029141885	0	42	-2.0	-140.53	335.86	3.81	-136.72
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300029141909	0	42	-2.0	-129.94	363.77	1.21	-128.73
CN1N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)[N-]C1=O	REAL300029141953	0	41	-2.0	-117.97	335.49	-0.04	-118.01
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300029142000	0	43	-2.0	-126.59	364.90	1.12	-125.47
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300029142000	1	43	-2.0	-126.59	364.90	1.12	-125.47
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300029142009	0	43	-2.0	-122.94	362.92	3.39	-119.55
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300029142091	0	42	-2.0	-119.21	359.15	0.88	-118.33
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300029142142	0	42	-2.0	-110.18	338.33	2.41	-107.77
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300029142142	1	42	-2.0	-110.18	338.33	2.41	-107.77
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(Cl)C=C2O)C1	REAL300029142160	0	42	-2.0	-130.77	359.69	4.20	-126.57
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300029142160	1	42	-2.0	-130.77	359.69	4.20	-126.57
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300029142225	0	40	-2.0	-108.20	329.84	-2.13	-110.33
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300029142225	1	40	-2.0	-103.94	330.27	-1.36	-105.30
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300029142312	0	42	-2.0	-121.87	343.09	2.48	-119.39
COC1=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)=CC(=O)[N-]1	REAL300029142354	0	44	-2.0	-114.45	349.43	-1.49	-115.94
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300029142363	0	41	-2.0	-118.93	344.99	4.26	-114.67
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300029142401	0	42	-2.0	-106.72	348.12	2.89	-103.83
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300029142409	0	41	-2.0	-131.59	337.87	1.76	-129.83
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029142415	0	38	-2.0	-112.10	313.74	-0.29	-112.39
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)S1	REAL300029142437	1	41	-2.0	-105.76	343.60	1.34	-104.42
CC1(F)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029142528	1	44	-2.0	-107.30	356.27	2.86	-104.44
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300029142545	0	41	-2.0	-122.54	346.42	0.12	-122.42
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300029142565	1	41	-2.0	-102.95	347.66	3.63	-99.32
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300029142585	0	42	-2.0	-121.53	353.93	-1.44	-122.97
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)=CC1=O	REAL300029142641	0	45	-2.0	-113.38	362.42	2.44	-110.94
CN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)=CC1=O	REAL300029142659	0	42	-2.0	-112.20	340.61	1.50	-110.70
CC1(F)CN(C(=O)CC2=CC(=O)N[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029142790	1	42	-2.0	-117.75	343.59	0.02	-117.73
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300029142795	1	42	-2.0	-110.26	338.30	2.45	-107.81
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300029142838	0	42	-2.0	-110.41	344.52	2.52	-107.89
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300029142843	0	41	-2.0	-130.37	353.41	1.50	-128.87
CC1=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C(=O)N(C)[N-]1	REAL300029142858	0	48	-2.0	-112.39	390.68	2.63	-109.76
CC1=CN=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC(C)(F)C2)C([O-])=C1	REAL300029142893	1	44	-2.0	-124.76	350.07	4.36	-120.40
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC([O-])=CS2)C1	REAL300029142913	0	39	-2.0	-126.96	320.65	0.97	-125.99
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300029142929	0	42	-2.0	-121.93	338.17	2.94	-118.99
CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300029142956	0	42	-2.0	-119.21	359.15	0.88	-118.33
O=C(C1=COC(=O)[N-]1)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143790	1	45	-2.0	-91.07	351.19	0.92	-90.15
O=C(CC1=CC(=O)N[N-]1)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143872	1	49	-2.0	-108.40	378.93	1.27	-107.13
CN1N=C(C(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)[N-]C1=O	REAL300029143882	0	48	-2.0	-97.14	371.97	1.08	-96.06
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN(C(=O)C3=C[N-]N=CC3=O)C2)CC1	REAL300029143915	0	47	-2.0	-89.23	358.35	2.37	-86.86
O=C(C1=CC(=O)N[N-]1)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143951	0	46	-2.0	-95.30	356.05	0.83	-94.47
C[PH](C)([O-])C(=O)C(=O)N1CCCC2(CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029143955	0	51	-2.0	-89.83	388.60	1.64	-88.19
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN(C(=O)C3=NC(=O)N[N-]3)C2)CC1	REAL300029144145	0	45	-2.0	-87.15	349.28	0.27	-86.88
CN1[N-]C(C(=O)N2CCCC3(CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC1=O	REAL300029144244	0	49	-2.0	-99.52	378.49	2.57	-96.95
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CCN(C(=O)C3=NC=CC=C3[O-])CC2)C1	REAL300029144611	1	48	-2.0	-103.80	367.81	4.44	-99.36
O=C(C1=COC(=O)[N-]1)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145171	1	45	-2.0	-101.09	350.76	0.87	-100.22
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CCN(C(=O)C3=C[N-]N=CC3=O)CC2)C1	REAL300029145253	0	47	-2.0	-96.50	369.63	2.33	-94.17
O=C(C1=CC(=O)N[N-]1)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145326	0	46	-2.0	-95.25	355.15	0.80	-94.45
C[PH](C)([O-])C(=O)C(=O)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145330	0	51	-2.0	-93.21	393.37	1.78	-91.43
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CCN(C(=O)C3=NC(=O)N[N-]3)CC2)C1	REAL300029145364	0	45	-2.0	-99.79	350.35	0.18	-99.61
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CCN(C(=O)C3=CN=CC([O-])=C3)CC2)C1	REAL300029145495	1	48	-2.0	-98.30	367.65	1.80	-96.50
CN1N=C(C(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)[N-]C1=O	REAL300029145623	0	48	-2.0	-98.00	372.88	0.97	-97.03
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CCN(C(=O)C3=CC=NC=C3[O-])CC2)C1	REAL300029145782	0	48	-2.0	-108.23	371.10	2.18	-106.05
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145785	0	45	-2.0	-100.69	350.57	0.85	-99.84
CN1[N-]C(C(=O)N2CCC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC1=O	REAL300029145880	0	49	-2.0	-93.84	377.32	2.63	-91.21
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029145934	1	49	-2.0	-102.45	380.12	1.33	-101.12
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CCN(C(=O)C3=CC([O-])=CS3)CC2)C1	REAL300029145982	0	46	-2.0	-102.05	365.64	2.63	-99.42
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300029147249	0	42	-2.0	-89.37	355.19	-6.15	-95.52
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CN1C(=O)[N-]NC1=O	REAL300029147340	0	44	-2.0	-91.28	369.31	-4.50	-95.78
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300029147966	0	44	-2.0	-100.75	366.26	-0.02	-100.77
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300029148086	0	44	-2.0	-85.11	366.91	-4.72	-89.83
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=COC(=O)[N-]1	REAL300029148097	1	40	-2.0	-89.58	338.78	-5.03	-94.61
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1C[N-]C(=O)C(F)(F)C(F)(F)F	REAL300029148191	1	39	-2.0	-80.48	346.12	-1.84	-82.32
CCN1[N-]C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)=CC1=O	REAL300029148273	0	47	-2.0	-88.64	388.18	-1.45	-90.09
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC=CC(=S)N1[O-]	REAL300029148299	0	44	-2.0	-115.83	374.76	2.00	-113.83
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1SC(=O)[N-]C1=O	REAL300029148309	0	44	-2.0	-83.91	377.88	-4.95	-88.86
CN1N=C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)[N-]C1=O	REAL300029148325	0	43	-2.0	-91.40	360.95	-3.90	-95.30
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=C[N-]N=CC1=O	REAL300029148416	0	42	-2.0	-83.67	347.84	-1.88	-85.55
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC(=O)N[N-]1	REAL300029148523	0	41	-2.0	-85.44	343.63	-4.10	-89.54
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C(=O)[PH](C)(C)[O-]	REAL300029148528	0	46	-2.0	-85.16	377.89	-2.48	-87.64
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCC1=NC(=O)NN1	REAL300029148556	0	46	-2.0	-96.61	379.55	-4.43	-101.04
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCC1=NC(=O)[N-]N1	REAL300029148556	1	46	-2.0	-96.61	379.55	-4.43	-101.04
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC=CN([O-])C1=O	REAL300029148560	0	44	-2.0	-110.94	364.36	0.95	-109.99
CC1SC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)=NC1=O	REAL300029148589	0	43	-2.0	-95.45	370.15	-3.92	-99.37
CC1=C([O-])N=C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)S1	REAL300029148589	1	43	-2.0	-95.45	370.15	-3.92	-99.37
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC(=O)C=C(Cl)N1	REAL300029148603	0	43	-2.0	-86.41	373.76	-0.76	-87.17
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029148603	1	43	-2.0	-86.41	373.76	-0.76	-87.17
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300029148622	0	44	-2.0	-101.47	366.64	-0.03	-101.50
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300029148657	0	44	-2.0	-113.00	363.65	0.95	-112.05
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1=C([O-])N=C(N)S1	REAL300029148787	0	45	-2.0	-101.79	384.95	-5.06	-106.85
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1=NC([O-])=CS1	REAL300029148835	0	43	-2.0	-102.83	370.15	-4.18	-107.01
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CN1N=CC(=O)[N-]C1=O	REAL300029148862	0	45	-2.0	-93.43	379.34	-5.66	-99.09
CC1=CC(=O)C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)=N[N-]1	REAL300029149081	0	45	-2.0	-94.85	372.32	-0.25	-95.10
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=NNC(=O)[N-]1	REAL300029149096	0	40	-2.0	-88.77	338.30	-5.34	-94.11
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CN=C(C=N[O-])S1	REAL300029149213	0	43	-2.0	-97.34	379.01	-2.51	-99.85
COC1=NC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)=CC(=O)[N-]1	REAL300029149228	0	46	-2.0	-89.33	384.53	-5.87	-95.20
CN1[N-]C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCN2C)=CC1=O	REAL300029149389	0	44	-2.0	-92.43	366.42	-2.34	-94.77
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300029149396	0	44	-2.0	-89.65	380.79	-4.05	-93.70
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029149558	0	42	-2.0	-89.67	356.93	-6.94	-96.61
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029149558	1	42	-2.0	-86.11	357.38	-6.34	-92.45
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CN1[N-]C(=O)C=CC1=O	REAL300029149709	0	46	-2.0	-92.08	385.41	-3.52	-95.60
CN1CCN(C(=O)C2=NC=CC=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029149962	1	43	-2.0	-98.65	357.40	-0.78	-99.43
CN1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150089	0	42	-2.0	-91.82	355.27	-5.73	-97.55
CN1CCN(C(=O)CN2C(=O)[N-]NC2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029150261	0	44	-2.0	-94.84	372.50	-4.20	-99.04
CN1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151682	1	44	-2.0	-93.62	381.30	0.44	-93.18
CN1CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151707	1	45	-2.0	-83.97	382.25	-0.26	-84.23
CN1CCN(C(=O)C2=COC(=O)[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151814	1	40	-2.0	-85.58	338.84	-3.35	-88.93
CN1CCN(C(=O)C[N-]C(=O)C(F)(F)F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151884	0	43	-2.0	-86.59	377.00	-3.91	-90.50
CN1CCN(C(=O)CC2=C([O-])N=C(N)S2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151885	0	45	-2.0	-107.92	387.93	-4.84	-112.76
CN1CCN(C(=O)C2=C(F)C=C([O-])C=C2F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151895	0	44	-2.0	-85.12	380.49	-0.29	-85.41
CN1CCN(C(=O)C2=CC=C([O-])C=C2F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151910	1	44	-2.0	-88.50	369.95	-0.68	-89.18
CN1CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151916	0	43	-2.0	-86.29	365.53	-1.30	-87.59
CN1CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151923	1	45	-2.0	-92.64	381.91	-0.32	-92.96
CN1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151926	0	43	-2.0	-92.71	371.67	-0.72	-93.43
CN1CCN(C(=O)CN2N=CC(=O)[N-]C2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029151944	0	45	-2.0	-98.80	382.65	-5.44	-104.24
CN1CCN(C(=O)C2=C[N-]N=CC2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152025	0	42	-2.0	-83.21	350.47	-2.06	-85.27
CN1CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152034	0	44	-2.0	-108.35	365.59	0.74	-107.61
CN1CCN(C(=O)C2=CC=CC([O-])=C2F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152130	1	44	-2.0	-103.40	365.89	-0.58	-103.98
CN1CCN(C(=O)C2=CC(=O)N[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152238	0	41	-2.0	-86.24	343.61	-3.41	-89.65
CN1CCN(C(=O)C(=O)[PH](C)(C)[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152244	0	46	-2.0	-87.60	378.31	-2.08	-89.68
CN1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152340	0	44	-2.0	-99.99	374.21	0.04	-99.95
CN1CCN(C(=O)C2=NNC(=O)[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152365	0	40	-2.0	-90.61	338.27	-5.12	-95.73
CN1CCN(C(=O)C2=C(O)C=CC=C2Cl)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152368	0	44	-2.0	-98.61	383.48	0.09	-98.52
CN1CCN(C(=O)C2=C([O-])C=CC=C2Cl)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152368	1	44	-2.0	-98.61	383.48	0.09	-98.52
CN1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152372	0	44	-2.0	-95.74	363.34	-0.17	-95.91
CN1CCN(C(=O)C2=C(F)C=CC(O)=C2F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152401	0	44	-2.0	-94.08	380.33	-0.32	-94.40
CN1CCN(C(=O)C2=C(F)C=CC([O-])=C2F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152401	1	44	-2.0	-94.08	380.33	-0.32	-94.40
CN1CCN(C(=O)C2=CC(F)=CC=C2O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152545	0	44	-2.0	-93.51	370.99	-0.02	-93.53
CN1CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152545	1	44	-2.0	-93.51	370.99	-0.02	-93.53
CC1=CC=NC(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1O	REAL300029152610	0	46	-2.0	-98.22	379.15	0.00	-98.22
CC1=CC=NC(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029152610	1	46	-2.0	-98.22	379.15	0.00	-98.22
CN1CCN(C(=O)C2=CC=CC(=S)N2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152735	0	44	-2.0	-107.60	377.46	0.80	-106.80
CN1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152847	0	43	-2.0	-82.88	374.32	-0.82	-83.70
CN1CCN(C(=O)C2=CC=C([O-])C=C2Cl)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152889	1	44	-2.0	-89.55	379.69	-0.17	-89.72
CN1CCN(C(=O)CC2=NC([O-])=CS2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152900	0	43	-2.0	-105.48	373.17	-3.95	-109.43
CN1CCN(C(=O)C2=C([O-])C=CC=C2F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152915	0	44	-2.0	-99.48	373.99	-0.30	-99.78
CN1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152917	0	46	-2.0	-94.18	388.42	-3.34	-97.52
CN1CCN(C(=O)C2=CC=C(F)C=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029152918	0	44	-2.0	-94.22	370.79	-0.21	-94.43
CC1=CC=C(F)C([O-])=C1C(=O)N1CCN(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029152955	0	47	-2.0	-98.08	393.48	0.27	-97.81
CN1CCN(C(=O)CC2SC(=O)[N-]C2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153024	0	44	-2.0	-86.78	381.08	-4.58	-91.36
CN1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153049	0	44	-2.0	-89.77	377.15	-0.55	-90.32
CN1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153056	0	44	-2.0	-102.84	375.39	1.21	-101.63
CC1=CC(=O)C(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029153085	0	45	-2.0	-91.17	372.43	0.15	-91.02
CN1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153110	0	44	-2.0	-104.33	366.35	0.15	-104.18
CN1CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153140	0	44	-2.0	-86.18	376.82	-2.24	-88.42
CN1N=C(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029153189	0	43	-2.0	-92.64	360.75	-3.32	-95.96
CN1CCN(C(=O)C2=C(F)C=CC(O)=C2O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153242	0	45	-2.0	-95.42	384.78	-2.23	-97.65
CN1CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153242	1	45	-2.0	-95.42	384.78	-2.23	-97.65
CN1CCN(C(=O)C2=CC(C#N)=CC=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153251	0	45	-2.0	-91.57	385.23	0.17	-91.40
CN1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153345	0	44	-2.0	-90.28	378.63	-2.49	-92.77
CN1CCN(C(=O)C2=CC=C(F)C(O)=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153398	0	44	-2.0	-90.92	367.97	-0.70	-91.62
CN1CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153398	1	44	-2.0	-90.92	367.97	-0.70	-91.62
CN1CCN(C(=O)C2=CC=C(Cl)C=C2O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153417	0	44	-2.0	-94.10	381.11	0.24	-93.86
CN1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153417	1	44	-2.0	-94.10	381.11	0.24	-93.86
CN1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153487	0	42	-2.0	-87.33	356.49	-6.39	-93.72
CN1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153487	1	42	-2.0	-82.55	357.23	-5.59	-88.14
CN1CCN(C(=O)C2=CN=C(N)[N-]C2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153547	1	44	-2.0	-93.40	371.41	-3.46	-96.86
CN1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153582	0	44	-2.0	-97.46	377.11	-0.54	-98.00
COC1=NC(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029153627	0	46	-2.0	-90.06	381.89	-5.40	-95.46
CN1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153637	0	43	-2.0	-94.04	375.16	-0.11	-94.15
CN1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153675	0	44	-2.0	-87.86	379.24	-0.07	-87.93
CN1CCN(C(=O)C2=CC=NC=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153684	0	43	-2.0	-98.31	355.66	-1.26	-99.57
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153690	0	40	-2.0	-92.68	338.35	-3.56	-96.24
CC1=C([O-])N=C(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029153713	1	43	-2.0	-90.48	370.29	-2.69	-93.17
CN1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153807	1	46	-2.0	-87.19	390.34	-0.57	-87.76
CN1CCN(C(=O)C2=CN=C(C=N[O-])S2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153828	0	43	-2.0	-99.05	377.83	-2.86	-101.91
CN1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153852	1	43	-2.0	-83.36	375.29	-0.34	-83.70
CN1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153874	0	44	-2.0	-84.54	367.17	-5.00	-89.54
CCN1[N-]C(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029153935	0	47	-2.0	-89.61	387.97	-0.97	-90.58
CN1[N-]C(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029153956	0	44	-2.0	-88.76	366.16	-1.91	-90.67
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029153966	0	44	-2.0	-90.36	383.81	-3.87	-94.23
CN1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029154107	1	44	-2.0	-90.78	367.94	-0.66	-91.44
CN1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029154154	0	44	-2.0	-89.87	374.15	-0.47	-90.34
CN1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029154159	0	43	-2.0	-97.08	370.98	-0.69	-97.77
CC1=C(CC(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029154174	0	50	-2.0	-97.05	410.37	-0.71	-97.76
CC1=CN=C(C(=O)N2CCN(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029154210	1	46	-2.0	-102.15	376.94	0.37	-101.78
CN1CCN(C(=O)C2=CC([O-])=CS2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029154233	0	41	-2.0	-96.94	351.82	-2.01	-98.95
CN1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029154249	0	44	-2.0	-100.30	373.98	0.12	-100.18
CN1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CN([O-])C(=O)NC1=O	REAL300029154278	0	44	-2.0	-86.46	368.98	-2.38	-88.84
O=C(CCCN1C(=O)[N-]NC1=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155413	0	45	-2.0	-100.12	391.68	-1.81	-101.93
O=C(CCC1=NNC(=O)[N-]C1=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155620	0	43	-2.0	-95.34	378.53	-4.51	-99.85
CC(=O)[N-]C1=NC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300029155621	1	41	-2.0	-84.41	372.71	-0.98	-85.39
O=C(CCN1C=C[N-]C(=O)C1=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029155772	1	44	-2.0	-98.68	384.04	-0.37	-99.05
COC1=C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300029155878	1	42	-2.0	-92.96	368.55	-3.34	-96.30
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300029155987	0	37	-2.0	-95.15	334.15	-4.61	-99.76
O=C(CN1C(=O)[N-]NC1=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029156103	0	39	-2.0	-99.79	348.32	-2.96	-102.75
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300029156940	0	39	-2.0	-108.59	346.11	1.46	-107.13
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300029157099	0	39	-2.0	-88.09	346.82	-3.41	-91.50
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300029157111	1	35	-2.0	-87.43	318.65	-3.61	-91.04
O=C([N-]C[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300029157230	0	34	-2.0	-93.50	318.92	1.52	-91.98
CCN1[N-]C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029157334	0	42	-2.0	-93.54	368.04	0.05	-93.49
O=C(CC1=CC(=O)N[N-]1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157342	1	39	-2.0	-103.11	343.08	-1.94	-105.05
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=S)N1[O-]	REAL300029157365	0	39	-2.0	-97.38	352.51	2.23	-95.15
O=C(CC1SC(=O)[N-]C1=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157379	0	39	-2.0	-91.88	356.48	-3.44	-95.32
CN1N=C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029157398	0	38	-2.0	-96.58	340.80	-2.41	-98.99
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300029157512	0	37	-2.0	-81.76	327.78	-0.47	-82.23
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC=C2N=NN([O-])C2=C1	REAL300029157551	0	41	-2.0	-106.94	361.60	0.02	-106.92
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300029157649	0	36	-2.0	-88.67	322.59	-2.55	-91.22
C[PH](C)([O-])C(=O)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157654	0	41	-2.0	-87.84	355.60	-1.26	-89.10
O=C(CCC1=NC(=O)NN1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157694	0	41	-2.0	-99.10	358.33	-2.90	-102.00
O=C(CCC1=NC(=O)[N-]N1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029157694	1	41	-2.0	-99.10	358.33	-2.90	-102.00
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300029157702	0	39	-2.0	-118.31	333.86	3.42	-114.89
CSC1=NC=C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029157721	0	41	-2.0	-87.61	369.89	-0.53	-88.14
CSC1=NC=C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029157721	1	41	-2.0	-87.61	369.89	-0.53	-88.14
CC1SC(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300029157745	0	38	-2.0	-92.69	350.25	-2.50	-95.19
CC1=C([O-])N=C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300029157745	1	38	-2.0	-92.69	350.25	-2.50	-95.19
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)N1	REAL300029157763	0	38	-2.0	-85.72	352.74	0.75	-84.97
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)[N-]1	REAL300029157763	1	38	-2.0	-85.72	352.74	0.75	-84.97
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300029157785	0	39	-2.0	-108.22	346.48	1.45	-106.77
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300029157844	0	39	-2.0	-95.32	341.38	1.49	-93.83
O=C(C[N-]C(=O)C(F)(F)F)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158012	0	38	-2.0	-91.19	353.62	-2.70	-93.89
NC1=NC([O-])=C(CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300029158013	0	40	-2.0	-113.80	363.74	-3.52	-117.32
O=C(CC1=NC([O-])=CS1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158072	0	38	-2.0	-114.87	348.97	-2.67	-117.54
O=C(CN1N=CC(=O)[N-]C1=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158109	0	40	-2.0	-105.57	358.43	-4.09	-109.66
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=C(Cl)C(=O)[N-]S1	REAL300029158185	0	35	-2.0	-89.48	340.15	-1.23	-90.71
COCC1=NC=C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029158291	0	44	-2.0	-88.32	381.57	-1.83	-90.15
COCC1=NC=C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029158291	1	44	-2.0	-88.32	381.57	-1.83	-90.15
CC1=CC(=O)C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029158390	0	40	-2.0	-94.75	351.34	1.26	-93.49
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]1	REAL300029158409	0	35	-2.0	-92.44	317.08	-4.00	-96.44
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029158434	0	40	-2.0	-87.67	359.77	0.47	-87.20
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029158434	1	40	-2.0	-87.67	359.77	0.47	-87.20
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C=N[O-])S1	REAL300029158569	0	38	-2.0	-100.34	357.97	-0.96	-101.30
CN1[N-]C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029158802	0	39	-2.0	-92.59	346.31	-0.88	-93.47
O=C(CSC1=NNC(=O)[N-]1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029158814	0	39	-2.0	-94.84	359.40	-2.76	-97.60
CC1=C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C(=S)NC(=O)N1	REAL300029158815	0	41	-2.0	-103.38	373.91	-1.50	-104.88
CC1=C(C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300029158815	1	41	-2.0	-103.38	373.91	-1.50	-104.88
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300029159028	0	37	-2.0	-88.56	336.60	-5.67	-94.23
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300029159028	1	37	-2.0	-85.33	337.25	-4.91	-90.24
O=C(COC1=NC(=O)[N-]C(=O)N1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029159100	0	41	-2.0	-95.16	369.54	-6.40	-101.56
O=C(COC1=NC(=O)NC(=O)[N-]1)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029159100	1	41	-2.0	-90.62	369.48	-6.35	-96.97
O=C(CN1[N-]C(=O)C=CC1=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300029159236	0	41	-2.0	-100.68	364.19	-1.99	-102.67
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029159494	1	38	-2.0	-104.24	334.15	1.42	-102.82
O=C(CCN1C=C[N-]C(=O)C1=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029159604	1	44	-2.0	-95.79	387.45	-0.20	-95.99
CC(=O)[N-]C1=NC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300029159614	1	41	-2.0	-84.68	373.54	-0.47	-85.15
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029159639	0	37	-2.0	-94.37	334.97	-4.42	-98.79
COC1=C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300029159684	1	42	-2.0	-102.23	363.84	-2.49	-104.72
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029159825	0	39	-2.0	-97.42	351.31	-2.90	-100.32
O=C(CCCN1C(=O)[N-]NC1=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029160626	0	45	-2.0	-96.33	394.30	-1.70	-98.03
O=C(CCC1=NNC(=O)[N-]C1=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029161472	0	43	-2.0	-93.82	381.99	-4.43	-98.25
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300029161480	0	41	-2.0	-103.03	359.82	3.32	-99.71
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(Cl)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029161494	1	39	-2.0	-111.06	348.81	3.37	-107.69
N#CC1=CC([O-])=CC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029161523	1	40	-2.0	-93.27	354.90	1.87	-91.40
NC1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1Cl	REAL300029161542	0	41	-2.0	-116.80	360.71	1.33	-115.47
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=CC(=O)[N-]O1	REAL300029161590	0	41	-2.0	-122.30	357.97	4.18	-118.12
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029161636	1	35	-2.0	-87.69	318.63	-2.45	-90.14
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029161726	0	38	-2.0	-88.39	355.93	-2.58	-90.97
NC1=NC([O-])=C(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300029161727	0	40	-2.0	-111.59	367.16	-3.40	-114.99
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300029161752	1	39	-2.0	-101.62	338.84	1.59	-100.03
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300029161760	0	38	-2.0	-88.60	343.71	0.11	-88.49
N#CC1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300029161769	1	40	-2.0	-94.27	354.23	1.93	-92.34
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(Cl)=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300029161773	0	38	-2.0	-107.10	343.99	1.50	-105.60
N#CC1=CC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C(N)[N-]C1=O	REAL300029161776	0	41	-2.0	-98.32	369.51	-1.25	-99.57
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029161790	0	40	-2.0	-104.39	362.11	-4.03	-108.42
CC1=CC=C([O-])C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029161865	1	41	-2.0	-104.26	355.82	2.01	-102.25
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300029161888	0	37	-2.0	-92.66	324.70	0.12	-92.54
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300029161898	0	39	-2.0	-120.49	338.65	2.85	-117.64
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029162005	1	39	-2.0	-117.10	338.97	1.46	-115.64
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=CC(=O)[N-]O1	REAL300029162069	0	41	-2.0	-109.11	359.84	3.28	-105.83
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300029162127	0	36	-2.0	-88.72	323.49	-2.28	-91.00
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162134	0	41	-2.0	-89.38	362.32	-1.15	-90.53
COCC1=NC=C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029162188	0	44	-2.0	-101.30	379.26	-1.33	-102.63
COCC1=NC=C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029162188	1	44	-2.0	-101.30	379.26	-1.33	-102.63
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300029162237	0	39	-2.0	-115.01	339.79	2.08	-112.93
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300029162271	0	35	-2.0	-87.85	316.92	-2.96	-90.81
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300029162281	0	39	-2.0	-112.45	341.62	2.10	-110.35
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(F)=CC=C1O)C1=CC(=O)[N-]O1	REAL300029162463	0	39	-2.0	-110.18	338.49	2.92	-107.26
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029162463	1	39	-2.0	-110.18	338.49	2.92	-107.26
CC1=CC=NC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1O	REAL300029162543	0	41	-2.0	-103.33	354.54	2.12	-101.21
CC1=CC=NC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300029162543	1	41	-2.0	-103.33	354.54	2.12	-101.21
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CN=CC(O)=C1)C1=CC(=O)[N-]O1	REAL300029162690	0	38	-2.0	-106.12	328.83	-0.37	-106.49
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300029162690	1	38	-2.0	-106.12	328.83	-0.37	-106.49
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=CC(=S)N1[O-])C1=CC(=O)[N-]O1	REAL300029162702	0	39	-2.0	-117.06	359.16	2.75	-114.31
NC1=CC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC(O)=C1Cl	REAL300029162840	0	41	-2.0	-96.96	362.53	-0.01	-96.97
NC1=CC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC([O-])=C1Cl	REAL300029162840	1	41	-2.0	-96.96	362.53	-0.01	-96.97
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C([O-])C(Cl)=N1)C1=CC(=O)[N-]O1	REAL300029162844	0	38	-2.0	-84.54	353.70	0.25	-84.29
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C([O-])C=C1Cl)C1=CC(=O)[N-]O1	REAL300029162901	1	39	-2.0	-99.84	347.00	2.05	-97.79
N#CC1=CC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C([O-])C=C1N	REAL300029162903	0	42	-2.0	-108.72	365.88	1.14	-107.58
O=C(CC1=NC([O-])=CS1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162912	0	38	-2.0	-113.51	352.64	-2.55	-116.06
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029162932	0	41	-2.0	-97.81	367.93	-1.91	-99.72
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300029162934	0	39	-2.0	-113.76	338.55	2.92	-110.84
O=C(CC1SC(=O)[N-]C1=O)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163044	0	39	-2.0	-88.05	360.39	-3.31	-91.36
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C([O-])C(F)=C1F)C1=CC(=O)[N-]O1	REAL300029163070	0	39	-2.0	-104.06	344.91	1.67	-102.39
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029163073	1	40	-2.0	-91.98	358.05	0.20	-91.78
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029163078	0	39	-2.0	-114.55	348.45	3.33	-111.22
CC1=CC(=O)C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029163109	0	40	-2.0	-93.24	350.99	1.53	-91.71
O=C(C=C([O-])C1=CC=C(O)C=C1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163114	0	44	-2.0	-107.57	383.84	1.12	-106.45
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300029163139	0	39	-2.0	-115.20	348.06	2.12	-113.08
N#CC1=CC=C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029163170	0	39	-2.0	-94.34	350.98	-0.11	-94.45
O=C(COC1=NC(=O)[N-]C(=O)N1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163171	0	41	-2.0	-93.91	373.03	-6.32	-100.23
O=C(COC1=NC(=O)NC(=O)[N-]1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163171	1	41	-2.0	-89.42	372.93	-6.29	-95.71
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C1=CC(=O)[N-]O1	REAL300029163199	0	41	-2.0	-95.30	362.20	2.94	-92.36
CN1N=C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029163238	0	38	-2.0	-95.61	340.93	-2.10	-97.71
[N-]=[N+]=NC1=CC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC=C1[O-]	REAL300029163266	0	41	-2.0	-98.15	362.07	-0.66	-98.81
N#CC1=CC=C([O-])C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029163305	0	40	-2.0	-106.36	352.97	3.18	-103.18
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CN([O-])C(=O)NC1=O)C1=CC(=O)[N-]O1	REAL300029163413	0	39	-2.0	-99.38	346.43	-0.40	-99.78
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300029163468	1	39	-2.0	-113.15	340.08	1.54	-111.61
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=CC(=O)[N-]O1	REAL300029163478	0	41	-2.0	-110.54	360.29	3.52	-107.02
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029163481	0	41	-2.0	-102.34	360.15	3.54	-98.80
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(Cl)C=C1[O-])C1=CC(=O)[N-]O1	REAL300029163491	1	39	-2.0	-113.53	348.86	3.37	-110.16
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300029163505	0	41	-2.0	-93.56	362.01	2.14	-91.42
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300029163569	0	37	-2.0	-88.99	335.39	-4.61	-93.60
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029163569	1	37	-2.0	-84.70	335.98	-3.84	-88.54
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C2N=NN([O-])C2=C1)C1=CC(=O)[N-]O1	REAL300029163595	0	41	-2.0	-114.86	356.06	0.53	-114.33
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=C(Cl)C(=O)[N-]S1)C1=CC(=O)[N-]O1	REAL300029163631	0	35	-2.0	-90.33	339.22	-1.52	-91.85
CC1=C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300029163676	0	42	-2.0	-83.79	372.08	1.03	-82.76
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(F)C([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029163691	0	39	-2.0	-116.10	344.87	1.65	-114.45
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300029163747	1	40	-2.0	-94.98	354.17	1.01	-93.97
COC1=NC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300029163753	0	41	-2.0	-92.84	362.12	-3.78	-96.62
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C2N[N-]N=C2C1=O)C1=CC(=O)[N-]O1	REAL300029163755	0	41	-2.0	-97.44	356.46	0.23	-97.21
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=NC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029163763	0	38	-2.0	-99.65	350.42	1.95	-97.70
O=C(CC1=CC=C([O-])C(Cl)=C1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029163769	1	42	-2.0	-103.28	383.80	2.27	-101.01
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C(Cl)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300029163802	0	39	-2.0	-108.99	349.88	2.02	-106.97
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300029163812	0	38	-2.0	-113.79	327.04	1.05	-112.74
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300029163819	0	35	-2.0	-91.61	317.33	-2.07	-93.68
CC1=C([O-])N=C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300029163848	1	38	-2.0	-93.10	348.86	-1.54	-94.64
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1=CC(=O)[N-]O1	REAL300029163908	1	45	-2.0	-119.90	377.01	5.20	-114.70
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC2=CC=CC=C2C=C1[O-])C1=CC(=O)[N-]O1	REAL300029163916	1	45	-2.0	-124.07	378.21	5.14	-118.93
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C(=O)C1=CC=C([O-])C=C1)C1=CC(=O)[N-]O1	REAL300029163955	1	41	-2.0	-91.72	359.78	0.95	-90.77
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CN=C(C=N[O-])S1)C1=CC(=O)[N-]O1	REAL300029163982	0	38	-2.0	-108.82	351.59	-0.46	-109.28
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=CC(=O)[N-]O1	REAL300029164010	1	38	-2.0	-85.84	352.11	1.28	-84.56
CSC1=NC=C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029164033	1	41	-2.0	-101.07	367.71	-0.05	-101.12
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300029164039	0	39	-2.0	-97.19	339.96	-2.86	-100.05
CCN1[N-]C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029164112	0	42	-2.0	-91.98	366.89	0.44	-91.54
CN1[N-]C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029164129	0	39	-2.0	-91.50	346.31	-0.57	-92.07
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029164144	0	39	-2.0	-93.30	363.08	-2.62	-95.92
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H](F)C[C@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029164283	1	39	-2.0	-100.75	346.26	-1.80	-102.55
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300029164289	1	39	-2.0	-102.98	340.06	1.58	-101.40
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(F)=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300029164339	0	39	-2.0	-101.21	346.06	1.63	-99.58
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC=NC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029164344	0	38	-2.0	-111.93	343.30	1.51	-110.42
CC1=C(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300029164361	0	45	-2.0	-99.65	389.13	0.61	-99.04
CC1=CN=C(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300029164404	1	41	-2.0	-104.72	356.83	2.02	-102.70
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300029164432	0	36	-2.0	-111.79	325.51	0.38	-111.41
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300029164450	0	39	-2.0	-115.78	339.83	1.89	-113.89
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)NC1=O	REAL300029164494	0	39	-2.0	-96.83	339.19	1.11	-95.72
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029164528	1	40	-2.0	-80.36	360.03	-0.28	-80.64
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C2CC2)[N-]C1=O	REAL300029165071	1	45	-2.0	-112.92	377.44	1.97	-110.95
O=C(CCCN1C(=O)[N-]NC1=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029165837	0	46	-2.0	-98.76	392.00	-0.64	-99.40
O=C(CCC1=NNC(=O)[N-]C1=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166096	0	44	-2.0	-97.85	379.70	-3.37	-101.22
CC(=O)[N-]C1=NC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300029166097	1	42	-2.0	-103.17	372.91	0.29	-102.88
O=C(CCN1C=C[N-]C(=O)C1=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166287	1	45	-2.0	-100.29	385.44	0.77	-99.52
COC1=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300029166423	1	43	-2.0	-105.59	366.78	-1.93	-107.52
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300029166564	0	38	-2.0	-103.09	333.19	-3.22	-106.31
O=C(CN1C(=O)[N-]NC1=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166697	0	40	-2.0	-102.59	349.47	-1.84	-104.43
O=C(CN1[N-]C=C2C1=NC=NC2=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029166864	0	44	-2.0	-103.35	383.02	1.05	-102.30
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300029167718	0	40	-2.0	-109.69	344.40	2.93	-106.76
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300029167909	0	40	-2.0	-101.95	344.87	-1.98	-103.93
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300029167923	1	36	-2.0	-106.11	318.97	-2.42	-108.53
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C2CCC2)[N-]C1=O	REAL300029167980	1	48	-2.0	-113.20	393.20	2.52	-110.68
O=C([N-]CC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300029168059	1	35	-2.0	-99.66	325.96	1.04	-98.62
CCN1[N-]C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029168186	0	43	-2.0	-106.00	367.31	1.37	-104.63
O=C(CC1=CC(=O)N[N-]1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168195	1	40	-2.0	-102.65	342.30	-0.53	-103.18
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=S)N1[O-]	REAL300029168220	0	40	-2.0	-122.99	354.03	4.85	-118.14
O=C(CC1SC(=O)[N-]C1=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168238	0	40	-2.0	-98.52	355.42	-2.02	-100.54
CN1N=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029168257	0	39	-2.0	-108.44	338.96	-0.94	-109.38
CC1=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C(=O)NC(C2CC2)=N1	REAL300029168376	0	48	-2.0	-114.92	394.44	2.63	-112.29
CC1=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C2CC2)=N1	REAL300029168376	1	48	-2.0	-114.92	394.44	2.63	-112.29
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300029168391	0	38	-2.0	-101.40	325.62	1.00	-100.40
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=C2N=NN([O-])C2=C1	REAL300029168433	0	42	-2.0	-104.14	360.96	1.43	-102.71
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300029168546	0	37	-2.0	-102.60	322.77	-1.28	-103.88
C[PH](C)([O-])C(=O)C(=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168551	0	42	-2.0	-102.91	360.24	0.15	-102.76
O=C(CCC1=NC(=O)NN1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168593	0	42	-2.0	-110.48	357.56	-1.48	-111.96
O=C(CCC1=NC(=O)[N-]N1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168593	1	42	-2.0	-110.48	357.56	-1.48	-111.96
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300029168602	0	40	-2.0	-126.27	341.32	3.14	-123.13
CSC1=NC=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029168623	0	42	-2.0	-112.29	367.62	0.89	-111.40
CSC1=NC=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029168623	1	42	-2.0	-112.29	367.62	0.89	-111.40
CC1SC(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300029168649	0	39	-2.0	-117.05	348.18	-1.03	-118.08
CC1=C([O-])N=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)S1	REAL300029168649	1	39	-2.0	-117.05	348.18	-1.03	-118.08
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)N1	REAL300029168673	0	39	-2.0	-99.41	351.78	2.14	-97.27
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)[N-]1	REAL300029168673	1	39	-2.0	-99.41	351.78	2.14	-97.27
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300029168700	0	40	-2.0	-111.04	344.77	2.92	-108.12
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300029168767	0	40	-2.0	-123.20	342.92	3.81	-119.39
O=C(C[N-]C(=O)C(F)(F)F)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029168968	0	39	-2.0	-100.19	353.93	-1.55	-101.74
NC1=NC([O-])=C(CC(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)S1	REAL300029168969	0	41	-2.0	-112.22	363.59	-2.15	-114.37
O=C(CC1=NC([O-])=CS1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169037	0	39	-2.0	-107.16	348.78	-1.28	-108.44
CCC1=NC=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029169066	1	44	-2.0	-109.96	367.91	1.25	-108.71
O=C(CN1N=CC(=O)[N-]C1=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169079	0	41	-2.0	-110.94	359.82	-2.95	-113.89
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=C(Cl)C(=O)[N-]S1	REAL300029169168	0	36	-2.0	-100.72	340.33	0.03	-100.69
COCC1=NC=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029169295	0	45	-2.0	-110.37	380.84	-0.50	-110.87
COCC1=NC=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029169295	1	45	-2.0	-110.37	380.84	-0.50	-110.87
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(CC2CC2)NC1=O	REAL300029169308	0	48	-2.0	-110.28	398.83	2.84	-107.44
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(CC2CC2)[N-]C1=O	REAL300029169308	1	48	-2.0	-110.28	398.83	2.84	-107.44
CC1=CC(=O)C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029169407	0	41	-2.0	-109.19	350.34	2.65	-106.54
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300029169430	0	36	-2.0	-106.31	317.36	-2.57	-108.88
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029169459	0	41	-2.0	-101.46	358.81	1.86	-99.60
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029169459	1	41	-2.0	-101.46	358.81	1.86	-99.60
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C=N[O-])S1	REAL300029169610	0	39	-2.0	-107.40	358.14	0.31	-107.09
CN1[N-]C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029169875	0	40	-2.0	-105.08	345.59	0.44	-104.64
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300029169886	1	43	-2.0	-108.26	368.29	0.86	-107.40
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029169890	0	40	-2.0	-99.68	360.78	-1.60	-101.28
CC1=C(C(=O)NCC23CC(C2)CN3C(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300029169891	1	42	-2.0	-126.43	373.08	0.06	-126.37
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300029170126	0	38	-2.0	-108.53	334.76	-4.21	-112.74
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300029170126	1	38	-2.0	-102.27	335.53	-3.45	-105.72
O=C(COC1=NC(=O)[N-]C(=O)N1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029170212	0	42	-2.0	-102.33	368.54	-5.01	-107.34
O=C(COC1=NC(=O)NC(=O)[N-]1)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029170212	1	42	-2.0	-96.34	370.64	-5.23	-101.57
O=C(CN1[N-]C(=O)C=CC1=O)NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029170373	0	42	-2.0	-104.21	365.59	-0.85	-105.06
O=C(NCC12CC(C1)CN2C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029170631	1	39	-2.0	-122.68	333.73	2.44	-120.24
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029170758	1	45	-2.0	-104.99	386.05	1.12	-103.87
CC(=O)[N-]C1=NC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=CS1	REAL300029170776	1	42	-2.0	-96.43	372.11	0.65	-95.78
O=C(NCC12CC(C1)CN2C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029170812	0	38	-2.0	-113.32	332.44	-3.21	-116.53
COC1=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)NC(=O)[N-]C1=O	REAL300029170874	1	43	-2.0	-106.21	365.07	-2.04	-108.25
O=C(CN1C(=O)[N-]NC1=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171074	0	40	-2.0	-113.21	350.07	-1.50	-114.71
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029171141	0	44	-2.0	-119.55	383.75	1.32	-118.23
O=C(CCCN1C(=O)[N-]NC1=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029172254	0	46	-2.0	-112.60	391.67	-0.23	-112.83
O=C(NCC12CC(C1)CN2C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029172501	1	45	-2.0	-117.67	386.15	1.68	-115.99
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173533	0	44	-2.0	-106.91	380.35	-3.08	-109.99
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300029173543	0	42	-2.0	-110.16	361.76	3.72	-106.44
O=C(NCC12CC(C1)CN2C(=O)C1=CC(Cl)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029173559	1	40	-2.0	-119.36	355.17	3.63	-115.73
N#CC1=CC([O-])=CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029173596	1	41	-2.0	-95.06	357.79	2.13	-92.93
NC1=CC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1Cl	REAL300029173631	0	42	-2.0	-120.95	366.23	1.62	-119.33
O=C(NCC12CC(C1)CN2C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=CC(=O)[N-]O1	REAL300029173700	0	42	-2.0	-136.16	359.41	4.67	-131.49
CCC1=NC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029173737	1	44	-2.0	-115.37	375.83	1.01	-114.36
O=C(NCC12CC(C1)CN2C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029173764	1	36	-2.0	-98.47	316.60	-1.51	-99.98
O=C(NCC12CC(C1)CN2C(=O)C1=CC=CC([O-])=C1[N+](=O)[O-])C1=CC(=O)[N-]O1	REAL300029173854	0	42	-2.0	-124.47	366.07	3.39	-121.08
O=C(C[N-]C(=O)C(F)(F)F)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173873	0	39	-2.0	-104.53	353.60	-1.16	-105.69
NC1=NC([O-])=C(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029173874	0	41	-2.0	-119.46	365.92	-2.13	-121.59
O=C(NCC12CC(C1)CN2C(=O)C1=C(F)C=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300029173885	0	40	-2.0	-99.32	357.66	2.32	-97.00
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300029173909	1	40	-2.0	-105.08	344.61	2.12	-102.96
O=C(NCC12CC(C1)CN2C(=O)C1=CC([O-])=C2SC=CC2=C1)C1=CC(=O)[N-]O1	REAL300029173917	1	43	-2.0	-103.38	372.87	3.28	-100.10
O=C(NCC12CC(C1)CN2C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300029173920	0	39	-2.0	-102.25	341.55	1.51	-100.74
N#CC1=CC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C=C1[O-]	REAL300029173934	1	41	-2.0	-96.14	355.46	2.43	-93.71
O=C(NCC12CC(C1)CN2C(=O)C1=CC(Cl)=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300029173940	0	39	-2.0	-116.62	345.81	2.01	-114.61
N#CC1=CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=C(N)[N-]C1=O	REAL300029173947	0	42	-2.0	-97.52	373.39	-0.73	-98.25
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029173966	0	41	-2.0	-123.59	360.55	-2.69	-126.28
CC1=CC=C([O-])C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300029174068	1	42	-2.0	-124.91	354.45	3.06	-121.85
O=C(NCC12CC(C1)CN2C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300029174098	0	38	-2.0	-100.12	335.19	0.60	-99.52
O=C(NCC12CC(C1)CN2C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300029174112	0	40	-2.0	-125.09	343.11	3.35	-121.74
O=C(NCC12CC(C1)CN2C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029174258	1	40	-2.0	-120.39	343.40	2.15	-118.24
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=CC(=O)[N-]O1	REAL300029174350	0	42	-2.0	-118.92	361.32	3.75	-115.17
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300029174423	0	37	-2.0	-104.13	322.27	-1.10	-105.23
C[PH](C)([O-])C(=O)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174431	0	42	-2.0	-109.75	353.80	0.27	-109.48
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029174461	0	45	-2.0	-117.48	389.47	3.75	-113.73
O=C(NCC12CC(C1)CN2C(=O)C1=CN=C(CC2CC2)NC1=O)C1=CC(=O)[N-]O1	REAL300029174484	0	48	-2.0	-116.11	405.98	2.69	-113.42
O=C(NCC12CC(C1)CN2C(=O)C1=CN=C(CC2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029174484	1	48	-2.0	-116.11	405.98	2.69	-113.42
COCC1=NC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300029174508	0	45	-2.0	-115.28	388.76	-0.75	-116.03
COCC1=NC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029174508	1	45	-2.0	-115.28	388.76	-0.75	-116.03
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300029174573	0	40	-2.0	-122.96	341.31	2.50	-120.46
O=C(NCC12CC(C1)CN2C(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029174610	0	40	-2.0	-117.05	356.01	2.19	-114.86
O=C(NCC12CC(C1)CN2C(=O)C1=NNC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029174612	0	36	-2.0	-109.37	316.56	-2.47	-111.84
O=C(NCC12CC(C1)CN2C(=O)C1=C(O)C=CC=C1Cl)C1=CC(=O)[N-]O1	REAL300029174618	0	40	-2.0	-114.49	361.25	2.61	-111.88
O=C(NCC12CC(C1)CN2C(=O)C1=C([O-])C=CC=C1Cl)C1=CC(=O)[N-]O1	REAL300029174618	1	40	-2.0	-114.49	361.25	2.61	-111.88
O=C(NCC12CC(C1)CN2C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300029174627	0	40	-2.0	-132.81	351.05	2.79	-130.02
O=C(NCC12CC(C1)CN2C(=O)C1=C(F)C=CC(O)=C1F)C1=CC(=O)[N-]O1	REAL300029174670	0	40	-2.0	-105.54	356.94	2.38	-103.16
O=C(NCC12CC(C1)CN2C(=O)C1=C(F)C=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029174670	1	40	-2.0	-105.54	356.94	2.38	-103.16
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC(=O)[N-]O1	REAL300029174889	0	40	-2.0	-101.27	351.28	2.59	-98.68
O=C(NCC12CC(C1)CN2C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029174897	1	40	-2.0	-118.26	344.85	3.18	-115.08
CC1=CC=NC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1[O-]	REAL300029174998	1	42	-2.0	-123.40	353.32	3.15	-120.25
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300029175065	0	40	-2.0	-124.99	360.80	3.69	-121.30
O=C(NCC12CC(C1)CN2C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300029175198	1	39	-2.0	-99.11	330.98	0.14	-98.97
O=C(NCC12CC(C1)CN2C(=O)C1=CC=CC(=S)N1[O-])C1=CC(=O)[N-]O1	REAL300029175212	0	40	-2.0	-150.63	350.17	4.43	-146.20
O=C(NCC12CC(C1)CN2C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029175370	1	48	-2.0	-117.85	401.90	2.23	-115.62
NC1=CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=CC([O-])=C1Cl	REAL300029175388	1	42	-2.0	-98.61	365.65	0.25	-98.36
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C([O-])C(Cl)=N1)C1=CC(=O)[N-]O1	REAL300029175393	0	39	-2.0	-95.33	351.48	1.42	-93.91
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C([O-])C=C1Cl)C1=CC(=O)[N-]O1	REAL300029175470	1	40	-2.0	-102.91	353.19	2.56	-100.35
N#CC1=CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=C([O-])C=C1N	REAL300029175473	0	43	-2.0	-113.43	370.08	1.58	-111.85
O=C(CC1=NC([O-])=CS1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175487	0	39	-2.0	-137.04	349.88	-1.10	-138.14
O=C(NCC12CC(C1)CN2C(=O)C1=C([O-])C=CC=C1F)C1=CC(=O)[N-]O1	REAL300029175512	0	40	-2.0	-110.85	351.75	2.24	-108.61
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175515	0	42	-2.0	-112.02	366.32	-0.59	-112.61
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300029175518	0	40	-2.0	-117.52	344.37	3.24	-114.28
CC1=CC=C(F)C([O-])=C1C(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175573	0	43	-2.0	-113.47	370.02	2.96	-110.51
O=C(CC1SC(=O)[N-]C1=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175673	0	40	-2.0	-106.51	357.63	-1.94	-108.45
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C([O-])C(F)=C1F)C1=CC(=O)[N-]O1	REAL300029175706	0	40	-2.0	-106.78	350.42	2.09	-104.69
O=C(NCC12CC(C1)CN2C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029175710	1	41	-2.0	-103.50	367.59	0.73	-102.77
O=C(NCC12CC(C1)CN2C(=O)C1=CC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029175716	0	40	-2.0	-119.04	352.91	3.82	-115.22
CC1=CC(=O)C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300029175754	0	41	-2.0	-111.76	349.63	2.67	-109.09
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175760	0	45	-2.0	-125.56	381.65	2.39	-123.17
CN1N=CC2=C1[N-]C=C(C(=O)N1CC3CC1(CNC(=O)C1=CC(=O)[N-]O1)C3)C2=O	REAL300029175764	0	45	-2.0	-109.64	389.29	2.57	-107.07
O=C(NCC12CC(C1)CN2C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300029175796	0	40	-2.0	-146.99	339.06	3.38	-143.61
N#CC1=CC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029175844	0	40	-2.0	-111.63	360.51	0.56	-111.07
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175845	0	42	-2.0	-103.80	371.30	-5.06	-108.86
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029175845	1	42	-2.0	-103.15	371.42	-5.09	-108.24
O=C(NCC12CC(C1)CN2C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C1=CC(=O)[N-]O1	REAL300029175876	0	42	-2.0	-99.68	364.06	3.46	-96.22
CN1N=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300029175922	0	39	-2.0	-113.75	338.75	-0.79	-114.54
[N-]=[N+]=NC1=CC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=CC=C1[O-]	REAL300029175964	0	42	-2.0	-99.26	363.08	-0.19	-99.45
O=C(NCC12CC(C1)CN2C(=O)C1=C(F)C=CC(O)=C1O)C1=CC(=O)[N-]O1	REAL300029176008	0	41	-2.0	-111.22	361.31	0.47	-110.75
O=C(NCC12CC(C1)CN2C(=O)C1=C(F)C=CC(O)=C1[O-])C1=CC(=O)[N-]O1	REAL300029176008	1	41	-2.0	-111.22	361.31	0.47	-110.75
N#CC1=CC=C([O-])C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029176021	0	41	-2.0	-111.29	357.17	3.70	-107.59
O=C(NCC12CC(C1)CN2C(=O)C1=CN([O-])C(=O)NC1=O)C1=CC(=O)[N-]O1	REAL300029176168	0	40	-2.0	-104.52	356.16	0.21	-104.31
O=C(NCC12CC(C1)CN2C(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300029176210	0	40	-2.0	-112.04	358.90	3.84	-108.20
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300029176246	1	40	-2.0	-100.61	341.52	2.05	-98.56
O=C(NCC12CC(C1)CN2C(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=CC(=O)[N-]O1	REAL300029176256	1	45	-2.0	-130.57	379.15	3.56	-127.01
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=CC(=O)[N-]O1	REAL300029176260	0	42	-2.0	-114.05	366.12	3.85	-110.20
O=C(NCC12CC(C1)CN2C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029176263	0	42	-2.0	-106.79	364.49	3.98	-102.81
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C(Cl)C=C1[O-])C1=CC(=O)[N-]O1	REAL300029176277	1	40	-2.0	-117.43	354.69	3.69	-113.74
O=C(NCC12CC(C1)CN2C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300029176300	0	42	-2.0	-95.69	365.15	2.42	-93.27
O=C(NCC12CC(C1)CN2C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300029176392	0	38	-2.0	-100.33	334.63	-3.67	-104.00
O=C(NCC12CC(C1)CN2C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029176392	1	38	-2.0	-99.84	334.93	-2.91	-102.75
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C2N=NN([O-])C2=C1)C1=CC(=O)[N-]O1	REAL300029176435	0	42	-2.0	-97.47	358.20	0.99	-96.48
O=C(NCC12CC(C1)CN2C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC(=O)[N-]O1	REAL300029176481	1	45	-2.0	-128.81	378.92	4.77	-124.04
O=C(NCC12CC(C1)CN2C(=O)C1=C(Cl)C(=O)[N-]S1)C1=CC(=O)[N-]O1	REAL300029176482	0	36	-2.0	-105.59	336.93	-0.04	-105.63
NC1=NC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029176508	1	40	-2.0	-115.36	349.19	-0.64	-116.00
CC1=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)[N-]C(=O)C(C#N)=C1	REAL300029176545	0	43	-2.0	-92.06	370.60	2.09	-89.97
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C(F)C([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029176572	0	40	-2.0	-123.42	351.10	2.12	-121.30
O=C(NCC12CC(C1)CN2C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC(=O)[N-]O1	REAL300029176636	0	40	-2.0	-101.94	359.12	2.41	-99.53
O=C(NCC12CC(C1)CN2C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300029176645	1	41	-2.0	-98.43	355.72	1.47	-96.96
COC1=NC(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=CC(=O)[N-]1	REAL300029176651	0	42	-2.0	-110.37	361.45	-2.63	-113.00
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C2N[N-]N=C2C1=O)C1=CC(=O)[N-]O1	REAL300029176654	0	42	-2.0	-114.04	364.94	0.85	-113.19
O=C(NCC12CC(C1)CN2C(=O)C1=NC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029176667	0	39	-2.0	-118.40	349.93	2.95	-115.45
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029176673	1	43	-2.0	-121.31	382.08	3.60	-117.71
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C(Cl)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300029176719	0	40	-2.0	-97.66	351.33	2.54	-95.12
O=C(NCC12CC(C1)CN2C(=O)C1=CC=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300029176730	0	39	-2.0	-124.31	329.22	1.56	-122.75
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300029176740	0	36	-2.0	-106.87	316.37	-0.67	-107.54
CC1=C([O-])N=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029176784	1	39	-2.0	-103.09	349.07	-0.62	-103.71
O=C(NCC12CC(C1)CN2C(=O)C1=C([O-])C=CC2=CC=CC=C21)C1=CC(=O)[N-]O1	REAL300029176843	1	46	-2.0	-123.38	389.51	4.55	-118.83
O=C(NCC12CC(C1)CN2C(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1=CC(=O)[N-]O1	REAL300029176863	1	46	-2.0	-124.97	382.12	5.53	-119.44
O=C(NCC12CC(C1)CN2C(=O)C1=CC2=CC=CC=C2C=C1[O-])C1=CC(=O)[N-]O1	REAL300029176871	1	46	-2.0	-129.76	382.44	5.56	-124.20
O=C(NCC12CC(C1)CN2C(=O)C(=O)C1=CC=C([O-])C=C1)C1=CC(=O)[N-]O1	REAL300029176927	1	42	-2.0	-109.42	358.67	2.30	-107.12
O=C(NCC12CC(C1)CN2C(=O)C1=CN=C(C=N[O-])S1)C1=CC(=O)[N-]O1	REAL300029176966	0	39	-2.0	-111.27	355.71	0.03	-111.24
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=CC(=O)[N-]O1	REAL300029177004	1	39	-2.0	-102.32	350.80	2.48	-99.84
CSC1=NC=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029177030	1	42	-2.0	-116.50	377.14	0.52	-115.98
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300029177039	0	40	-2.0	-103.18	341.57	-2.39	-105.57
CCN1[N-]C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029177127	0	43	-2.0	-109.97	366.01	1.66	-108.31
CN1[N-]C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029177151	0	40	-2.0	-108.67	344.20	0.72	-107.95
O=C(NCC12CC(C1)CN2C(=O)C1=CC=CC2=C1C(=O)[N-]C2=O)C1=CC(=O)[N-]O1	REAL300029177166	1	43	-2.0	-125.79	368.50	0.34	-125.45
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029177171	0	40	-2.0	-106.37	360.45	-1.17	-107.54
CC1=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=S)[N-]C(=O)N1	REAL300029177173	1	42	-2.0	-123.11	373.89	0.11	-123.00
CC1=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]C(C2CC2)=N1	REAL300029177184	1	48	-2.0	-112.42	405.73	2.20	-110.22
O=C(NCC12CC(C1)CN2C(=O)C1=C([O-])C=NC2=CC=CC=C21)C1=CC(=O)[N-]O1	REAL300029177249	1	45	-2.0	-109.88	384.45	2.61	-107.27
O=C(CC1=CC(=O)N[N-]1)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029177369	1	40	-2.0	-120.24	345.08	-0.46	-120.70
O=C(NCC12CC(C1)CN2C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300029177376	1	40	-2.0	-103.83	341.48	2.10	-101.73
O=C(NCC12CC(C1)CN2C(=O)C1=CC(F)=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300029177444	0	40	-2.0	-105.86	348.20	2.08	-103.78
O=C(NCC12CC(C1)CN2C(=O)C1=CC=NC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029177450	0	39	-2.0	-122.23	345.12	2.03	-120.20
CC1=C(CC(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)N(C)[N-]1	REAL300029177472	0	46	-2.0	-115.18	387.66	1.92	-113.26
O=C(CCC(=O)N1CC2CC1(CNC(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([O-])C=C1	REAL300029177485	1	48	-2.0	-105.96	406.57	3.83	-102.13
CC1=CN=C(C(=O)N2CC3CC2(CNC(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300029177526	1	42	-2.0	-125.49	354.26	3.10	-122.39
O=C(NCC12CC(C1)CN2C(=O)C1=C(O)C=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029177543	0	41	-2.0	-105.43	371.02	0.09	-105.34
O=C(NCC12CC(C1)CN2C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300029177568	0	37	-2.0	-117.20	328.28	1.06	-116.14
O=C(NCC12CC(C1)CN2C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300029177594	0	40	-2.0	-124.17	340.88	2.51	-121.66
O=C(NCC12CC(C1)CN2C(=O)C1=CC(F)=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029177600	0	40	-2.0	-110.50	360.37	3.79	-106.71
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)NC1=O	REAL300029177657	0	40	-2.0	-102.56	346.81	0.56	-102.00
O=C(NCC12CC(C1)CN2C(=O)C1=CC(=O)[N-]O1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029177694	1	41	-2.0	-99.11	359.29	1.07	-98.04
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300029178552	0	46	-2.0	-105.34	365.27	-2.28	-107.62
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CN1C(=O)[N-]NC1=O	REAL300029178605	0	48	-2.0	-106.70	379.53	-0.62	-107.32
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300029179006	0	48	-2.0	-113.40	376.25	3.85	-109.55
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300029179088	0	48	-2.0	-98.94	376.73	-1.07	-100.01
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=COC(=O)[N-]1	REAL300029179099	1	44	-2.0	-102.83	348.88	-1.21	-104.04
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1C[N-]C(=O)C(F)(F)C(F)(F)F	REAL300029179163	1	43	-2.0	-100.24	355.21	2.40	-97.84
CCN1[N-]C(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)=CC1=O	REAL300029179220	0	51	-2.0	-104.75	398.49	2.48	-102.27
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1=CC(=O)N[N-]1	REAL300029179227	1	48	-2.0	-107.14	374.30	0.38	-106.76
CN1N=C(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)[N-]C1=O	REAL300029179250	0	47	-2.0	-108.93	370.93	-0.01	-108.94
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=C[N-]N=CC1=O	REAL300029179309	0	46	-2.0	-97.49	357.93	1.93	-95.56
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC(=O)N[N-]1	REAL300029179379	0	45	-2.0	-102.44	353.63	-0.24	-102.68
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C(=O)[PH](C)(C)[O-]	REAL300029179384	0	50	-2.0	-106.10	387.58	1.43	-104.67
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCC1=NC(=O)NN1	REAL300029179405	0	50	-2.0	-107.35	389.78	-0.54	-107.89
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCC1=NC(=O)[N-]N1	REAL300029179405	1	50	-2.0	-107.35	389.78	-0.54	-107.89
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC=CN([O-])C1=O	REAL300029179408	0	48	-2.0	-117.11	374.30	4.09	-113.02
CC1SC(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)=NC1=O	REAL300029179429	0	47	-2.0	-108.96	380.25	-0.10	-109.06
CC1=C([O-])N=C(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)S1	REAL300029179429	1	47	-2.0	-108.96	380.25	-0.10	-109.06
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300029179446	0	48	-2.0	-113.64	376.64	3.84	-109.80
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300029179471	0	48	-2.0	-128.29	374.18	4.94	-123.35
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1=NC([O-])=CS1	REAL300029179586	0	47	-2.0	-110.96	380.14	-0.33	-111.29
CC1=CC(=O)C(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)=N[N-]1	REAL300029179744	0	49	-2.0	-109.48	382.43	3.57	-105.91
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=NC(=O)N[N-]1	REAL300029179754	0	44	-2.0	-103.08	348.30	-1.52	-104.60
CN1[N-]C(C(=O)NCC2N(C(=O)C3=CC(=O)[N-]O3)CCCC2(C)C)=CC1=O	REAL300029179940	0	48	-2.0	-103.67	376.77	1.55	-102.12
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029180037	0	46	-2.0	-98.56	367.38	-2.52	-101.08
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029180037	1	46	-2.0	-98.56	367.38	-2.52	-101.08
CC1(C)CCCN(C(=O)C2=NC=CC=C2O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180389	0	47	-2.0	-115.47	368.39	3.34	-112.13
CC1(C)CCCN(C(=O)C2=NC=CC=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180389	1	47	-2.0	-115.47	368.39	3.34	-112.13
CC1(C)CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180483	0	46	-2.0	-106.52	366.92	-2.18	-108.70
CC1(C)CCCN(C(=O)CN2C(=O)[N-]NC2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029180568	0	48	-2.0	-103.00	379.94	-0.41	-103.41
CC1(C)CCCN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181286	1	49	-2.0	-93.84	393.93	3.67	-90.17
CC1(C)CCCN(C(=O)C2=COC(=O)[N-]2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181342	1	44	-2.0	-93.95	348.51	0.43	-93.52
CC1(C)CCCN(C(=O)C2=CC=C([O-])C=C2F)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181409	1	48	-2.0	-102.44	376.94	3.34	-99.10
CC1(C)CCCN(C(=O)C2=CC([O-])=CC(=O)O2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181413	0	47	-2.0	-97.91	376.36	2.70	-95.21
CC1(C)CCCN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181415	1	49	-2.0	-107.79	393.09	3.68	-104.11
CC1=CC=C([O-])C(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029181460	1	50	-2.0	-116.55	390.46	3.81	-112.74
CC1(C)CCCN(C(=O)C2=C[N-]N=CC2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181471	0	46	-2.0	-91.55	362.45	1.74	-89.81
CC1(C)CCCN(C(=O)C2=CC=CC(F)=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181476	0	48	-2.0	-118.58	379.76	3.94	-114.64
CC1(C)CCCN(C(=O)C2=CC=CC([O-])=C2F)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181532	1	48	-2.0	-114.29	380.04	3.32	-110.97
CC1(C)CCCN(C(=O)C2=CC(=O)N[N-]2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181593	0	45	-2.0	-101.12	353.50	0.31	-100.81
CC1(C)CCCN(C(=O)C(=O)[PH](C)(C)[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181597	0	50	-2.0	-104.63	388.15	1.73	-102.90
CC1(C)CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181644	0	48	-2.0	-115.60	378.64	3.78	-111.82
CC1(C)CCCN(C(=O)C2=NC(=O)N[N-]2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181661	0	44	-2.0	-96.71	348.19	-0.31	-97.02
CC1(C)CCCN(C(=O)C2=CC=CN([O-])C2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181665	0	48	-2.0	-109.40	378.91	3.68	-105.72
CC1(C)CCCN(C(=O)C2=CC(F)=CC=C2O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181763	0	48	-2.0	-111.17	376.79	4.41	-106.76
CC1(C)CCCN(C(=O)C2=CC(F)=CC=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181763	1	48	-2.0	-111.17	376.79	4.41	-106.76
CC1=CC=NC(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)=C1O	REAL300029181803	0	50	-2.0	-115.06	388.91	4.08	-110.98
CC1=CC=NC(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300029181803	1	50	-2.0	-115.06	388.91	4.08	-110.98
CC1(C)CCCN(C(=O)C2=CN=CC([O-])=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181859	1	47	-2.0	-106.26	367.74	1.37	-104.89
CC1(C)CCCN(C(=O)CC2=NC([O-])=CS2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181945	0	47	-2.0	-117.90	380.54	-0.09	-117.99
CC1(C)CCCN(C(=O)C2=CC=C(F)C=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029181955	0	48	-2.0	-115.25	376.67	4.42	-110.83
CC1=CC(=O)C(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029182036	0	49	-2.0	-104.92	384.14	3.66	-101.26
CC1(C)CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182046	0	48	-2.0	-108.36	377.63	4.01	-104.35
CC1(C)CCCN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182061	0	48	-2.0	-93.49	388.67	1.53	-91.96
CN1N=C(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029182084	0	47	-2.0	-109.10	371.03	0.56	-108.54
CC1(C)CCCN(C(=O)C2=CC=C(C#N)C=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182113	0	49	-2.0	-112.31	391.08	4.75	-107.56
CC1(C)CCCN(C(=O)C2=CC(C#N)=CC=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182118	0	49	-2.0	-105.17	394.69	4.21	-100.96
CC1(C)CCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182197	1	48	-2.0	-112.85	379.15	3.31	-109.54
CC1(C)CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182239	0	46	-2.0	-94.30	368.09	-1.38	-95.68
CC1(C)CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182239	1	46	-2.0	-94.30	368.09	-1.38	-95.68
CC1(C)CCCN(C(=O)C2=CN=C(N)NC2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182268	0	48	-2.0	-99.96	377.19	0.40	-99.56
CC1(C)CCCN(C(=O)C2=CN=C(N)[N-]C2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182268	1	48	-2.0	-99.96	377.19	0.40	-99.56
CC1(C)CCCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182346	0	44	-2.0	-104.57	348.36	0.26	-104.31
CC1SC(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300029182360	0	47	-2.0	-99.12	380.20	1.17	-97.95
CC1=C([O-])N=C(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300029182360	1	47	-2.0	-99.12	380.20	1.17	-97.95
CC1(C)CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182450	0	48	-2.0	-96.99	378.88	-1.10	-98.09
CCN1[N-]C(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029182490	0	51	-2.0	-105.58	397.95	2.93	-102.65
CN1[N-]C(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029182502	0	48	-2.0	-104.31	376.14	1.99	-102.32
CC1(C)CCCN(C(=O)CC2=CC(=O)NN2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182570	0	48	-2.0	-118.96	376.93	0.79	-118.17
CC1(C)CCCN(C(=O)CC2=CC(=O)N[N-]2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182570	1	48	-2.0	-118.96	376.93	0.79	-118.17
CC1(C)CCCN(C(=O)C2=CC=C(O)C(F)=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182574	0	48	-2.0	-103.90	379.11	3.34	-100.56
CC1(C)CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182574	1	48	-2.0	-103.90	379.11	3.34	-100.56
CC1=CN=C(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C(O)=C1	REAL300029182627	0	50	-2.0	-117.01	390.07	3.86	-113.15
CC1=CN=C(C(=O)N2CCCC(C)(C)C2CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300029182627	1	50	-2.0	-117.01	390.07	3.86	-113.15
CC1(C)CCCN(C(=O)C2=CC([O-])=CS2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182639	0	45	-2.0	-108.79	364.55	2.05	-106.74
CC1(C)CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300029182649	0	48	-2.0	-113.55	380.65	3.84	-109.71
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CN=C(C2CC2)[N-]C1=O	REAL300029183128	1	48	-2.0	-94.32	392.20	1.56	-92.76
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=NNC(=O)[N-]C1=O	REAL300029184095	0	41	-2.0	-91.82	350.41	-3.84	-95.66
O=C(CN1C(=O)[N-]NC1=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029184197	0	43	-2.0	-93.00	364.92	-2.13	-95.13
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CN([O-])C(=O)C=C1	REAL300029184904	0	43	-2.0	-104.39	361.72	2.33	-102.06
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC(=O)NC([O-])=C1	REAL300029185035	0	43	-2.0	-86.23	362.35	-2.55	-88.78
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=COC(=O)[N-]1	REAL300029185046	1	39	-2.0	-86.94	334.02	-2.76	-89.70
O=C([N-]C1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C(F)(F)C(F)(F)F	REAL300029185149	1	38	-2.0	-82.32	337.58	1.14	-81.18
CCN1[N-]C(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=CC1=O	REAL300029185239	0	46	-2.0	-91.22	380.59	1.09	-90.13
O=C(CC1=CC(=O)N[N-]1)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029185247	1	43	-2.0	-96.77	359.50	-1.13	-97.90
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=CC(=S)N1[O-]	REAL300029185267	0	43	-2.0	-114.57	367.47	4.55	-110.02
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NC1=NC=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C(=O)[N-]1	REAL300029191138	1	43	-2.0	-97.07	360.75	-1.19	-98.26
CC1=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)[N-]C(=O)C(C#N)=C1	REAL300029191164	0	46	-2.0	-82.56	388.21	1.88	-80.68
O=C(NC1CCC2CN(C(=O)C3=CC=C4N[N-]N=C4C3=O)CC21)C1=CC(=O)[N-]O1	REAL300029191233	0	45	-2.0	-102.27	380.83	1.22	-101.05
O=C(NC1CCC2CN(C(=O)C3=NC=CC(Cl)=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029191243	0	42	-2.0	-100.66	366.71	2.81	-97.85
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC(=O)[N-]O1	REAL300029191299	0	39	-2.0	-90.96	333.59	-1.28	-92.24
CC1SC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=NC1=O	REAL300029191325	0	42	-2.0	-91.73	365.55	-0.74	-92.47
CC1=C([O-])N=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)S1	REAL300029191325	1	42	-2.0	-91.73	365.55	-0.74	-92.47
O=C(NC1CCC2CN(C(=O)C(=O)C3=CC=C(O)C=C3)CC21)C1=CC(=O)[N-]O1	REAL300029191424	0	45	-2.0	-89.97	376.29	1.77	-88.20
O=C(NC1CCC2CN(C(=O)C(=O)C3=CC=C([O-])C=C3)CC21)C1=CC(=O)[N-]O1	REAL300029191424	1	45	-2.0	-89.97	376.29	1.77	-88.20
O=C(NC1CCC2CN(C(=O)C3=CN=C(C=N[O-])S3)CC21)C1=CC(=O)[N-]O1	REAL300029191450	0	42	-2.0	-100.41	372.21	-0.50	-100.91
O=C(NC1CCC2CN(C(=O)C3=CC(=O)C=C(Cl)N3)CC21)C1=CC(=O)[N-]O1	REAL300029191475	0	42	-2.0	-84.91	368.50	2.12	-82.79
O=C(NC1CCC2CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)CC21)C1=CC(=O)[N-]O1	REAL300029191475	1	42	-2.0	-84.91	368.50	2.12	-82.79
O=C(NC1CCC2CN(C(=O)C3=CC(=O)NC([O-])=C3)CC21)C1=CC(=O)[N-]O1	REAL300029191500	0	43	-2.0	-91.07	363.15	-2.82	-93.89
CCN1[N-]C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=CC1=O	REAL300029191564	0	46	-2.0	-91.99	383.14	1.22	-90.77
CN1[N-]C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=CC1=O	REAL300029191586	0	43	-2.0	-91.02	361.33	0.29	-90.73
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191598	0	43	-2.0	-91.97	378.82	-1.79	-93.76
O=C(CC1=CC(=O)NN1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191746	0	43	-2.0	-99.12	363.02	-0.95	-100.07
O=C(CC1=CC(=O)N[N-]1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029191746	1	43	-2.0	-99.12	363.02	-0.95	-100.07
O=C(NC1CCC2CN(C(=O)C3=CC=C(O)C(F)=C3)CC21)C1=CC(=O)[N-]O1	REAL300029191751	0	43	-2.0	-96.85	356.06	1.70	-95.15
O=C(NC1CCC2CN(C(=O)C3=CC=C([O-])C(F)=C3)CC21)C1=CC(=O)[N-]O1	REAL300029191751	1	43	-2.0	-96.85	356.06	1.70	-95.15
O=C(NC1CCC2CN(C(=O)C3=CC(F)=C([O-])C(F)=C3)CC21)C1=CC(=O)[N-]O1	REAL300029191805	0	43	-2.0	-91.41	367.92	1.62	-89.79
O=C(NC1CCC2CN(C(=O)C3=CC=NC(Cl)=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029191811	0	42	-2.0	-100.50	367.54	1.41	-99.09
CC1=CN=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C([O-])=C1	REAL300029191864	1	45	-2.0	-106.19	371.96	2.92	-103.27
O=C(NC1CCC2CN(C(=O)C3=CC([O-])=CS3)CC21)C1=CC(=O)[N-]O1	REAL300029191889	0	40	-2.0	-99.47	346.45	0.36	-99.11
O=C(NC1CCC2CN(C(=O)C3=CN([O-])C(=O)C=C3)CC21)C1=CC(=O)[N-]O1	REAL300029191905	0	43	-2.0	-99.86	369.35	2.30	-97.56
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CN([O-])C(=O)NC1=O	REAL300029191940	0	43	-2.0	-89.75	361.57	0.14	-89.61
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300029193113	0	43	-2.0	-102.62	355.87	-3.30	-105.92
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CN1C(=O)[N-]NC1=O	REAL300029193192	0	45	-2.0	-101.41	364.50	-1.75	-103.16
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300029193739	0	45	-2.0	-112.54	368.64	3.07	-109.47
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300029193841	0	45	-2.0	-99.00	367.41	-2.05	-101.05
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=COC(=O)[N-]1	REAL300029193852	1	41	-2.0	-104.08	339.48	-2.21	-106.29
CCN1[N-]C(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)=CC1=O	REAL300029194008	0	48	-2.0	-104.52	388.85	1.42	-103.10
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1=CC(=O)N[N-]1	REAL300029194015	1	45	-2.0	-108.49	366.98	-0.27	-108.76
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=CC=CC(=S)N1[O-]	REAL300029194031	0	45	-2.0	-138.55	377.19	5.09	-133.46
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1SC(=O)[N-]C1=O	REAL300029194040	0	45	-2.0	-96.13	380.15	-1.75	-97.88
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300029194053	0	44	-2.0	-106.88	361.63	-1.01	-107.89
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=C[N-]N=CC1=O	REAL300029194135	0	43	-2.0	-96.81	348.54	0.93	-95.88
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=CC(=O)N[N-]1	REAL300029194230	0	42	-2.0	-90.73	338.54	-1.50	-92.23
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300029194234	0	47	-2.0	-100.44	368.81	0.32	-100.12
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=CC=CN([O-])C1=O	REAL300029194265	0	45	-2.0	-98.27	366.17	3.21	-95.06
CC1SC(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)=NC1=O	REAL300029194292	0	44	-2.0	-110.69	360.90	-1.17	-111.86
CC1=C([O-])N=C(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)S1	REAL300029194292	1	44	-2.0	-110.69	360.90	-1.17	-111.86
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=CC(=O)C=C(Cl)N1	REAL300029194304	0	44	-2.0	-95.54	364.51	2.00	-93.54
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029194304	1	44	-2.0	-95.54	364.51	2.00	-93.54
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300029194318	0	45	-2.0	-111.80	367.33	2.85	-108.95
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300029194352	0	45	-2.0	-134.65	366.08	4.05	-130.60
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1=C([O-])N=C(N)S1	REAL300029194464	0	46	-2.0	-123.64	375.71	-2.25	-125.89
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CC1=NC([O-])=CS1	REAL300029194504	0	44	-2.0	-116.97	365.35	-1.43	-118.40
CCC1=NC=C(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C(=O)N1	REAL300029194518	0	49	-2.0	-89.55	391.06	1.51	-88.04
CCC1=NC=C(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)C(=O)[N-]1	REAL300029194518	1	49	-2.0	-89.55	391.06	1.51	-88.04
CC1=CC(=O)C(C(=O)NC2C(C)CCN(C(=O)C3=CC(=O)[N-]O3)C2C)=N[N-]1	REAL300029194719	0	46	-2.0	-106.14	373.02	2.56	-103.58
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=NC(=O)N[N-]1	REAL300029194733	0	41	-2.0	-103.66	338.90	-2.53	-106.19
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=CN=C(C=N[O-])S1	REAL300029194831	0	44	-2.0	-107.09	379.69	0.36	-106.73
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300029194990	0	45	-2.0	-103.65	367.12	0.49	-103.16
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CSC1=NNC(=O)[N-]1	REAL300029194997	0	45	-2.0	-97.49	371.70	-1.34	-98.83
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029195138	0	43	-2.0	-104.72	357.43	-4.27	-108.99
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029195138	1	43	-2.0	-88.57	360.08	-3.19	-91.76
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300029195276	0	47	-2.0	-101.75	380.62	-0.76	-102.51
CC1CCN(C(=O)C2=NC=CC=C2[O-])C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029195528	1	44	-2.0	-125.24	359.14	2.40	-122.84
CC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029195648	0	43	-2.0	-101.35	357.93	-2.68	-104.03
CC1CCN(C(=O)CN2C(=O)[N-]NC2=O)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029195804	0	45	-2.0	-101.44	367.37	-1.65	-103.09
CC1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197044	1	45	-2.0	-119.60	367.34	3.80	-115.80
CC1CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197068	1	46	-2.0	-94.33	385.81	2.65	-91.68
CCC1=NC=C(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C(=O)[N-]1	REAL300029197142	1	49	-2.0	-95.14	382.98	1.03	-94.11
CC1CCN(C(=O)C2=COC(=O)[N-]2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197158	1	41	-2.0	-94.36	339.22	-0.59	-94.95
CC1CCN(C(=O)C[N-]C(=O)C(F)(F)F)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197228	0	44	-2.0	-95.15	379.32	-0.87	-96.02
CC1CCN(C(=O)CC2=C([O-])N=C(N)S2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197229	0	46	-2.0	-119.63	390.55	-1.68	-121.31
CC1CCN(C(=O)C2=CC=C([O-])C=C2F)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197250	1	45	-2.0	-105.28	358.33	2.23	-103.05
CC1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197256	0	44	-2.0	-97.24	355.13	1.45	-95.79
CC1CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197263	1	46	-2.0	-101.14	378.02	2.40	-98.74
CC1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197266	0	44	-2.0	-117.11	374.03	1.97	-115.14
CC1CCN(C(=O)CN2N=CC(=O)[N-]C2=O)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197280	0	46	-2.0	-107.44	385.20	-2.29	-109.73
CC1=CC=C([O-])C(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)=N1	REAL300029197339	1	47	-2.0	-126.36	380.75	2.97	-123.39
CC1CCN(C(=O)CCC2=NNC(=O)[N-]2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197340	0	47	-2.0	-95.05	377.71	-1.00	-96.05
CC1CCN(C(=O)C2=C[N-]N=CC2=O)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197358	0	43	-2.0	-90.15	342.03	0.73	-89.42
CC1CCN(C(=O)C2=CC=CC(F)=C2[O-])C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197366	0	45	-2.0	-131.26	356.83	3.36	-127.90
CC1CCN(C(=O)C2=CC=CC([O-])=C2F)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197454	1	45	-2.0	-125.53	357.13	2.19	-123.34
CC1CCN(C(=O)C2=CC(=O)N[N-]2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197546	0	42	-2.0	-101.38	344.09	-0.69	-102.07
CC1CCN(C(=O)C(=O)[PH](C)(C)[O-])C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197551	0	47	-2.0	-102.62	369.03	0.25	-102.37
CC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197635	0	45	-2.0	-107.88	363.76	2.53	-105.35
CC1CCN(C(=O)C2=NNC(=O)[N-]2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197661	0	41	-2.0	-106.30	338.80	-2.18	-108.48
CC1CCN(C(=O)C2=CC=CN([O-])C2=O)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197666	0	45	-2.0	-99.55	356.66	2.61	-96.94
CC1CCN(C(=O)C2=CC(F)=CC=C2O)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197813	0	45	-2.0	-118.38	357.02	3.36	-115.02
CC1CCN(C(=O)C2=CC(F)=CC=C2[O-])C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197813	1	45	-2.0	-118.38	357.02	3.36	-115.02
CC1=CC=NC(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)=C1[O-]	REAL300029197873	1	47	-2.0	-124.87	379.45	3.11	-121.76
CC1CCN(C(=O)C2=CN=CC([O-])=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197981	1	44	-2.0	-98.17	352.80	0.08	-98.09
CC1CCN(C(=O)C2=CC=CC(=S)N2[O-])C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029197991	0	45	-2.0	-99.28	368.33	3.62	-95.66
CC1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198097	0	44	-2.0	-92.94	375.37	1.76	-91.18
CC1CCN(C(=O)C2=CC=C([O-])C=C2Cl)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198140	1	45	-2.0	-102.29	366.68	2.66	-99.63
CC1CCN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198141	0	48	-2.0	-116.65	384.39	1.57	-115.08
CC1CCN(C(=O)CC2=NC([O-])=CS2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198148	0	44	-2.0	-130.35	364.06	-1.08	-131.43
CC1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198162	0	47	-2.0	-109.66	379.33	-0.46	-110.12
CC1CCN(C(=O)C2=CC=C(F)C=C2[O-])C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198163	0	45	-2.0	-123.00	358.07	3.35	-119.65
CC1CCN(C(=O)CC2SC(=O)[N-]C2=O)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198250	0	45	-2.0	-96.92	371.37	-1.81	-98.73
CC1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198270	0	45	-2.0	-109.67	363.36	2.27	-107.40
CC1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198277	0	45	-2.0	-124.32	366.63	3.83	-120.49
CC1=CC(=O)C(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)=N[N-]1	REAL300029198301	0	46	-2.0	-100.92	375.13	3.21	-97.71
CC1CCN(C(=O)C2=CC=CC(=O)N2[O-])C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198321	0	45	-2.0	-99.58	357.24	2.99	-96.59
CC1CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198343	0	45	-2.0	-99.83	383.63	0.66	-99.17
CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198390	0	44	-2.0	-110.08	361.64	-0.53	-110.61
CC1CCN(C(=O)C2=CC(C#N)=CC=C2[O-])C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198440	0	46	-2.0	-114.36	371.44	3.71	-110.65
CC1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198525	0	45	-2.0	-100.16	363.50	0.21	-99.95
CC1CCN(C(=O)C2=CC=C(F)C(O)=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198573	0	45	-2.0	-91.53	364.06	2.02	-89.51
CC1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198573	1	45	-2.0	-91.53	364.06	2.02	-89.51
CC1CCN(C(=O)C2=CC=C(Cl)C=C2O)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198589	0	45	-2.0	-122.57	368.39	3.80	-118.77
CC1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198589	1	45	-2.0	-122.57	368.39	3.80	-118.77
CC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198649	0	43	-2.0	-95.95	357.95	-3.20	-99.15
CC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198649	1	43	-2.0	-99.59	362.05	-3.61	-103.20
CC1CCN(C(=O)C2=CN=C(N)[N-]C2=O)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198698	1	45	-2.0	-94.56	355.22	-0.68	-95.24
CC1=C(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)[N-]C(=O)C(C#N)=C1	REAL300029198719	0	48	-2.0	-89.50	397.50	2.26	-87.24
CC1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198731	0	45	-2.0	-124.68	363.31	2.24	-122.44
COC1=NC(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)=CC(=O)[N-]1	REAL300029198776	0	47	-2.0	-109.00	387.08	-2.30	-111.30
CC1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198782	0	44	-2.0	-120.94	375.33	2.92	-118.02
CC1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198813	0	45	-2.0	-88.27	373.85	2.52	-85.75
CC1CCN(C(=O)C2=CC=NC=C2[O-])C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198821	0	44	-2.0	-125.55	359.55	0.65	-124.90
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198826	0	41	-2.0	-104.43	339.05	-0.73	-105.16
CC1=C([O-])N=C(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)S1	REAL300029198846	1	44	-2.0	-98.84	371.09	0.10	-98.74
CC1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198933	1	47	-2.0	-91.41	385.11	2.01	-89.40
CC1CCN(C(=O)C2=CN=C(C=N[O-])S2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198953	0	44	-2.0	-109.74	370.97	0.32	-109.42
CC1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198973	1	44	-2.0	-100.50	376.59	2.67	-97.83
CC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029198995	0	45	-2.0	-90.91	377.16	-1.72	-92.63
CCN1[N-]C(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)=CC1=O	REAL300029199052	0	48	-2.0	-97.50	390.76	2.16	-95.34
CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199068	0	45	-2.0	-104.69	366.83	1.01	-103.68
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199077	0	45	-2.0	-94.80	378.67	-1.31	-96.11
CC1CCN(C(=O)CC2=CC(=O)N[N-]2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199188	1	45	-2.0	-114.44	358.34	-0.35	-114.79
CC1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199193	1	45	-2.0	-93.11	364.02	2.07	-91.04
CC1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199231	0	45	-2.0	-105.57	374.07	2.51	-103.06
CC1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199235	0	44	-2.0	-123.45	373.33	2.01	-121.44
CC1=C(CC(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C(=O)N(C)[N-]1	REAL300029199249	0	51	-2.0	-103.68	405.19	1.86	-101.82
CC1=CN=C(C(=O)N2CCC(C)C(NC(=O)C3=CC(=O)[N-]O3)C2C)C([O-])=C1	REAL300029199285	1	47	-2.0	-127.14	380.58	3.03	-124.11
CC1CCN(C(=O)C2=CC([O-])=CS2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199306	0	42	-2.0	-100.55	348.23	0.88	-99.67
CC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C(C)C1NC(=O)C1=CC(=O)[N-]O1	REAL300029199319	0	45	-2.0	-108.54	363.42	2.52	-106.02
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C(C)C1NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300029199344	0	45	-2.0	-99.53	369.81	0.48	-99.05
CC1(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029199872	1	47	-2.0	-109.07	374.88	2.94	-106.13
CC1(CNC(=O)CCCN2C(=O)[N-]NC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200584	0	48	-2.0	-100.25	399.08	-0.66	-100.91
CC1(CNC(=O)CCC2=NNC(=O)[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029200823	0	46	-2.0	-98.66	386.23	-3.45	-102.11
CC(=O)[N-]C1=NC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300029200824	1	44	-2.0	-96.24	380.97	0.11	-96.13
CC1(CNC(=O)CCN2C=C[N-]C(=O)C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201003	1	47	-2.0	-98.25	392.52	0.75	-97.50
COC1=C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300029201125	1	45	-2.0	-100.81	375.40	-2.35	-103.16
CC1(CNC(=O)C2=NNC(=O)[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201252	0	40	-2.0	-99.33	341.91	-3.51	-102.84
CC1(CNC(=O)CN2C(=O)[N-]NC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029201380	0	42	-2.0	-105.99	356.02	-1.93	-107.92
CC1(CNC(=O)C2=CN([O-])C(=O)C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202335	0	42	-2.0	-108.37	353.55	2.63	-105.74
CC1(CNC(=O)C2=CC(=O)NC([O-])=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202519	0	42	-2.0	-95.59	353.93	-2.28	-97.87
CC1(CNC(=O)C2=COC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202532	1	38	-2.0	-99.92	326.00	-2.44	-102.36
CC1(C[N-]C(=O)C(F)(F)C(F)(F)F)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202663	1	37	-2.0	-96.78	328.86	2.23	-94.55
CCN1[N-]C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029202783	0	45	-2.0	-100.54	375.38	1.20	-99.34
CC1(CNC(=O)CC2=CC(=O)N[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202792	1	42	-2.0	-103.42	351.06	-0.81	-104.23
CC1(CNC(=O)C2=CC=CC(=S)N2[O-])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202817	0	42	-2.0	-125.14	361.64	4.66	-120.48
CC1(CNC(=O)CC2SC(=O)[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202833	0	42	-2.0	-91.81	364.69	-2.29	-94.10
CN1N=C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029202852	0	41	-2.0	-103.98	347.59	-1.30	-105.28
CC1(CNC(=O)C2=C[N-]N=CC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029202980	0	40	-2.0	-93.30	334.71	0.71	-92.59
CC1(CNC(=O)C2=CC=C3N=NN([O-])C3=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203020	0	44	-2.0	-104.49	370.11	1.15	-103.34
CC1(CNC(=O)C2=CC(=O)N[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203127	0	39	-2.0	-97.05	330.83	-1.45	-98.50
CC1(CNC(=O)C(=O)[PH](C)(C)[O-])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203132	0	44	-2.0	-98.49	364.16	-0.04	-98.53
CC1(CNC(=O)CCC2=NC(=O)NN2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203174	0	44	-2.0	-106.57	366.26	-1.84	-108.41
CC1(CNC(=O)CCC2=NC(=O)[N-]N2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203174	1	44	-2.0	-106.57	366.26	-1.84	-108.41
CC1(CNC(=O)C2=CC=CN([O-])C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203183	0	42	-2.0	-123.05	339.04	3.75	-119.30
CSC1=NC=C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029203204	0	44	-2.0	-107.99	365.24	1.81	-106.18
CSC1=NC=C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029203204	1	44	-2.0	-107.99	365.24	1.81	-106.18
CC1SC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300029203230	0	41	-2.0	-106.38	356.88	-1.39	-107.77
CC1=C([O-])N=C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300029203230	1	41	-2.0	-106.38	356.88	-1.39	-107.77
CC1(CNC(=O)C2=CC(=O)C=C(Cl)N2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203253	0	41	-2.0	-94.72	360.49	1.77	-92.95
CC1(CNC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203253	1	41	-2.0	-94.72	360.49	1.77	-92.95
CC1(CNC(=O)C2=CC(=O)N([O-])C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203278	0	42	-2.0	-109.11	353.36	2.61	-106.50
CC1(CNC(=O)C2=CC=CC(=O)N2[O-])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203343	0	42	-2.0	-123.61	350.53	3.64	-119.97
CC1(CNC(=O)CC2=C([O-])N=C(N)S2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203528	0	43	-2.0	-110.30	371.66	-2.47	-112.77
CC1(CNC(=O)CC2=NC([O-])=CS2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203594	0	41	-2.0	-116.41	356.91	-1.53	-117.94
CCC1=NC=C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029203621	0	46	-2.0	-106.74	364.04	2.28	-104.46
CCC1=NC=C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029203621	1	46	-2.0	-106.74	364.04	2.28	-104.46
CC1(CNC(=O)C2=C(Cl)C(=O)[N-]S2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203719	0	38	-2.0	-97.50	347.90	-0.22	-97.72
COCC1=NC=C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029203838	1	47	-2.0	-106.98	376.97	0.52	-106.46
CC1=CC(=O)C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029203945	0	43	-2.0	-102.26	359.07	2.35	-99.91
CC1(CNC(=O)C2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203964	0	38	-2.0	-101.10	324.83	-2.97	-104.07
CC1(CNC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029203990	1	43	-2.0	-94.80	367.53	1.57	-93.23
CC1(CNC(=O)C2=CN=C(C=N[O-])S2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204138	0	41	-2.0	-105.80	365.71	0.07	-105.73
COC1=NC(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300029204159	0	44	-2.0	-101.59	371.06	-3.50	-105.09
CN1[N-]C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029204391	0	42	-2.0	-99.77	353.72	0.28	-99.49
CC1(CNC(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204401	1	45	-2.0	-113.04	375.86	0.62	-112.42
CC1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204404	0	42	-2.0	-97.84	367.86	-1.63	-99.47
CC1=C(C(=O)NCC2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300029204405	1	44	-2.0	-127.12	381.20	-0.36	-127.48
CC1(CNC(=O)C2=NC(=O)[N-]C(=O)N2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204634	0	40	-2.0	-100.52	344.03	-4.50	-105.02
CC1(CNC(=O)C2=NC(=O)NC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204634	1	40	-2.0	-95.24	344.10	-3.80	-99.04
CC1(CNC(=O)COC2=NC(=O)[N-]C(=O)N2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204713	0	44	-2.0	-99.82	377.77	-5.31	-105.13
CC1(CNC(=O)COC2=NC(=O)NC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204713	1	44	-2.0	-94.30	377.72	-5.25	-99.55
CC1(CNC(=O)CN2[N-]C(=O)C=CC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029204866	0	44	-2.0	-106.37	372.12	-0.95	-107.32
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC=CC=C1[O-]	REAL300029205123	1	41	-2.0	-111.59	341.99	2.43	-109.16
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300029205239	1	47	-2.0	-109.21	394.71	0.70	-108.51
CC(=O)[N-]C1=NC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300029205251	1	44	-2.0	-92.99	380.74	0.69	-92.30
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300029205279	0	40	-2.0	-101.00	342.12	-3.32	-104.32
COC1=C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300029205328	1	45	-2.0	-104.90	372.17	-1.80	-106.70
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300029205488	0	42	-2.0	-101.90	359.36	-1.71	-103.61
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCCN1C(=O)[N-]NC1=O	REAL300029206406	0	48	-2.0	-98.54	401.62	-0.54	-99.08
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300029206607	1	47	-2.0	-104.22	384.76	1.71	-102.51
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300029207379	0	46	-2.0	-96.60	388.94	-3.41	-100.01
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300029207387	0	44	-2.0	-106.49	367.96	3.99	-102.50
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300029207401	1	42	-2.0	-117.05	356.44	3.90	-113.15
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300029207432	1	43	-2.0	-95.28	362.59	2.39	-92.89
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(N)C(Cl)=C1[O-]	REAL300029207458	0	44	-2.0	-122.23	368.88	2.00	-120.23
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300029207509	0	44	-2.0	-127.81	366.32	4.82	-122.99
CCC1=NC=C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029207538	1	46	-2.0	-102.76	373.69	1.12	-101.64
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=COC(=O)[N-]1	REAL300029207559	1	38	-2.0	-96.05	325.23	-1.26	-97.31
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300029207660	0	41	-2.0	-97.34	363.65	-1.53	-98.87
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300029207661	0	43	-2.0	-123.18	374.75	-2.28	-125.46
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C=C1F	REAL300029207688	1	42	-2.0	-105.72	346.43	2.06	-103.66
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300029207697	0	41	-2.0	-96.36	350.87	1.29	-95.07
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300029207707	1	43	-2.0	-112.34	362.18	2.60	-109.74
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300029207713	0	41	-2.0	-112.18	352.23	2.14	-110.04
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1	REAL300029207716	0	44	-2.0	-99.94	377.73	-0.49	-100.43
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300029207732	0	43	-2.0	-100.81	369.06	-3.03	-103.84
CC1=CC=C([O-])C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029207818	1	44	-2.0	-109.98	364.15	3.05	-106.93
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300029207842	0	40	-2.0	-95.16	331.92	0.84	-94.32
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300029207853	0	42	-2.0	-126.10	346.52	3.56	-122.54
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC([O-])=C1F	REAL300029207970	1	42	-2.0	-121.92	346.83	2.28	-119.64
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300029208041	0	44	-2.0	-97.26	367.98	3.96	-93.30
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300029208104	0	39	-2.0	-96.68	330.67	-1.13	-97.81
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300029208111	0	44	-2.0	-92.06	364.27	0.07	-91.99
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(=O)C=C([O-])C1=CC=CC=N1	REAL300029208138	0	47	-2.0	-112.32	398.69	3.51	-108.81
COCC1=NC=C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029208171	0	47	-2.0	-103.73	386.61	-0.65	-104.38
COCC1=NC=C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029208171	1	47	-2.0	-103.73	386.61	-0.65	-104.38
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300029208224	0	42	-2.0	-118.56	347.98	2.75	-115.81
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL300029208257	0	42	-2.0	-112.13	359.33	2.40	-109.73
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC(=O)N[N-]1	REAL300029208259	0	38	-2.0	-96.68	325.35	-1.93	-98.61
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CN([O-])C1=O	REAL300029208271	0	42	-2.0	-113.34	349.14	2.83	-110.51
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=CC=C1O	REAL300029208477	0	42	-2.0	-115.98	346.13	3.46	-112.52
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300029208477	1	42	-2.0	-115.98	346.13	3.46	-112.52
CC1=CC=NC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)=C1O	REAL300029208562	0	44	-2.0	-108.76	362.80	3.16	-105.60
CC1=CC=NC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300029208562	1	44	-2.0	-108.76	362.80	3.16	-105.60
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300029208618	0	42	-2.0	-121.42	362.66	4.07	-117.35
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=CC(O)=C1	REAL300029208730	0	41	-2.0	-110.15	336.99	0.30	-109.85
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=CC([O-])=C1	REAL300029208730	1	41	-2.0	-110.15	336.99	0.30	-109.85
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300029208742	0	42	-2.0	-122.47	367.14	3.46	-119.01
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300029208895	1	44	-2.0	-98.92	370.71	0.64	-98.28
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300029208899	0	41	-2.0	-92.35	360.85	1.39	-90.96
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300029208962	1	42	-2.0	-102.40	355.73	2.59	-99.81
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300029208964	0	45	-2.0	-113.40	374.06	1.78	-111.62
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=NC([O-])=CS1	REAL300029208974	0	41	-2.0	-108.95	359.62	-1.57	-110.52
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300029208997	0	44	-2.0	-104.17	375.29	-0.83	-105.00
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300029209000	0	42	-2.0	-120.39	346.14	3.47	-116.92
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300029209119	0	42	-2.0	-96.89	367.74	-2.17	-99.06
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300029209146	0	42	-2.0	-107.77	353.07	2.36	-105.41
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029209149	1	43	-2.0	-94.40	365.54	0.92	-93.48
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300029209154	0	42	-2.0	-119.75	356.33	4.04	-115.71
CC1=CC(=O)C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029209187	0	43	-2.0	-100.72	359.22	2.55	-98.17
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300029209192	0	47	-2.0	-114.29	391.21	2.15	-112.14
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300029209220	0	42	-2.0	-121.00	356.03	2.83	-118.17
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300029209256	0	42	-2.0	-96.08	358.70	0.64	-95.44
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300029209257	0	44	-2.0	-98.48	380.37	-5.23	-103.71
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300029209257	1	44	-2.0	-95.51	380.36	-5.26	-100.77
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300029209286	0	44	-2.0	-98.77	372.09	3.53	-95.24
CN1N=C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029209326	0	41	-2.0	-104.91	347.55	-1.02	-105.93
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300029209360	0	44	-2.0	-101.93	369.84	0.01	-101.92
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300029209402	0	43	-2.0	-111.72	360.58	3.79	-107.93
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300029209523	0	42	-2.0	-101.72	353.90	0.31	-101.41
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300029209560	0	42	-2.0	-112.30	362.86	4.06	-108.24
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300029209587	1	42	-2.0	-117.69	348.23	2.21	-115.48
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300029209595	1	47	-2.0	-132.21	381.14	3.97	-128.24
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300029209599	0	44	-2.0	-117.20	367.87	4.07	-113.13
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300029209602	0	44	-2.0	-107.08	367.89	4.06	-103.02
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300029209613	1	42	-2.0	-120.16	356.44	3.92	-116.24
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300029209627	0	44	-2.0	-96.27	369.58	2.67	-93.60
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029209699	0	40	-2.0	-97.99	343.70	-3.60	-101.59
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029209699	1	40	-2.0	-92.98	344.24	-2.85	-95.83
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300029209726	0	44	-2.0	-119.10	364.26	1.21	-117.89
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300029209763	1	47	-2.0	-114.23	387.79	4.81	-109.42
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300029209764	0	38	-2.0	-98.23	346.40	-0.38	-98.61
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300029209783	1	42	-2.0	-103.05	347.15	-0.50	-103.55
CC1=C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300029209814	0	45	-2.0	-92.82	380.31	2.08	-90.74
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(F)C([O-])=C1F	REAL300029209834	0	42	-2.0	-120.84	353.03	2.34	-118.50
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300029209891	0	42	-2.0	-100.39	363.91	2.66	-97.73
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029209895	1	43	-2.0	-97.09	361.87	1.48	-95.61
COC1=NC(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300029209901	0	44	-2.0	-100.91	369.17	-2.62	-103.53
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300029209903	0	44	-2.0	-99.40	364.10	0.97	-98.43
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300029209911	0	41	-2.0	-104.74	358.68	2.98	-101.76
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300029209917	1	45	-2.0	-103.59	390.70	3.27	-100.32
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300029209950	0	42	-2.0	-113.52	358.02	2.70	-110.82
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=NC=C1[O-]	REAL300029209960	0	41	-2.0	-119.20	335.38	1.70	-117.50
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029209967	0	38	-2.0	-100.28	325.57	-0.96	-101.24
CC1=C([O-])N=C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300029210001	1	41	-2.0	-101.89	356.80	-0.47	-102.36
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300029210069	1	48	-2.0	-125.48	385.34	5.82	-119.66
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300029210077	1	48	-2.0	-130.32	386.49	5.77	-124.55
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300029210120	1	44	-2.0	-98.24	368.14	1.98	-96.26
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300029210150	0	41	-2.0	-111.44	359.62	0.25	-111.19
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029210180	1	41	-2.0	-92.81	360.47	2.40	-90.41
CSC1=NC=C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029210204	1	44	-2.0	-103.30	375.13	0.67	-102.63
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300029210212	0	42	-2.0	-100.51	347.74	-2.35	-102.86
CCN1[N-]C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029210289	0	45	-2.0	-100.50	375.22	1.52	-98.98
CN1[N-]C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029210307	0	42	-2.0	-99.37	353.40	0.57	-98.80
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300029210322	0	42	-2.0	-98.74	370.45	-1.56	-100.30
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC(=O)N[N-]1	REAL300029210471	1	42	-2.0	-102.90	353.66	-0.87	-103.77
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300029210478	1	42	-2.0	-106.32	348.19	2.24	-104.08
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300029210531	0	42	-2.0	-101.43	356.36	2.21	-99.22
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300029210536	0	41	-2.0	-117.23	351.52	2.15	-115.08
CC1=C(CC(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300029210553	0	48	-2.0	-101.53	397.17	1.76	-99.77
CC1=CN=C(C(=O)N2CCCC2(C)CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300029210599	1	44	-2.0	-110.66	363.98	3.11	-107.55
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CS1	REAL300029210630	0	39	-2.0	-116.19	333.46	1.09	-115.10
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300029210650	0	42	-2.0	-121.51	346.76	2.56	-118.95
CC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300029210656	0	42	-2.0	-111.64	362.76	4.09	-107.55
CC1(CNC(=O)C2=CN([O-])C(=O)NC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029210700	0	42	-2.0	-98.76	344.53	1.39	-97.37
CC1(CNC(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029210735	1	43	-2.0	-93.84	366.28	0.79	-93.05
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CN=C(C2CC2)[N-]C1=O	REAL300029211282	1	45	-2.0	-84.66	380.10	0.77	-83.89
O=C(CCCN1C(=O)[N-]NC1=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212048	0	46	-2.0	-93.10	392.04	-1.55	-94.65
O=C(CCC1=NNC(=O)[N-]C1=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212307	0	44	-2.0	-91.50	379.84	-4.29	-95.79
CC(=O)[N-]C1=NC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=CS1	REAL300029212308	1	42	-2.0	-81.86	373.96	-0.77	-82.63
O=C(CCN1C=C[N-]C(=O)C1=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212498	1	45	-2.0	-96.21	385.59	-0.14	-96.35
COC1=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)NC(=O)[N-]C1=O	REAL300029212634	1	43	-2.0	-90.95	368.68	-2.97	-93.92
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=NNC(=O)[N-]C1=O	REAL300029212775	0	38	-2.0	-90.64	331.58	-4.28	-94.92
O=C(CN1C(=O)[N-]NC1=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029212908	0	40	-2.0	-91.55	345.85	-2.61	-94.16
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029213075	0	44	-2.0	-93.46	379.97	0.63	-92.83
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=N[N-]C2=CC=CC=C2C1=O	REAL300029213785	0	44	-2.0	-92.63	377.14	3.11	-89.52
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CN([O-])C(=O)C=C1	REAL300029213929	0	40	-2.0	-105.30	346.02	1.88	-103.42
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC(=O)NC([O-])=C1	REAL300029214120	0	40	-2.0	-85.03	347.05	-3.18	-88.21
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=COC(=O)[N-]1	REAL300029214134	1	36	-2.0	-90.93	315.19	-3.20	-94.13
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CN=C(C2CCC2)[N-]C1=O	REAL300029214191	1	48	-2.0	-84.64	395.87	1.32	-83.32
O=C([N-]C1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C(F)(F)C(F)(F)F	REAL300029214270	1	35	-2.0	-81.91	323.77	0.51	-81.40
CCN1[N-]C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=CC1=O	REAL300029214397	0	43	-2.0	-88.31	368.24	0.30	-88.01
O=C(CC1=CC(=O)N[N-]1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214406	1	40	-2.0	-98.72	344.22	-1.60	-100.32
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=CC(=S)N1[O-]	REAL300029214431	0	40	-2.0	-115.50	352.17	4.27	-111.23
O=C(CC1SC(=O)[N-]C1=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214449	0	40	-2.0	-86.36	353.70	-3.04	-89.40
CN1N=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)[N-]C1=O	REAL300029214468	0	39	-2.0	-91.50	341.16	-2.14	-93.64
CC1=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C(=O)NC(C2CC2)=N1	REAL300029214587	0	48	-2.0	-96.19	392.84	1.90	-94.29
CC1=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C(=O)[N-]C(C2CC2)=N1	REAL300029214587	1	48	-2.0	-96.19	392.84	1.90	-94.29
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=C[N-]N=CC1=O	REAL300029214602	0	38	-2.0	-85.42	324.97	0.33	-85.09
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=C2N=NN([O-])C2=C1	REAL300029214644	0	42	-2.0	-97.71	359.22	0.37	-97.34
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC(=O)N[N-]1	REAL300029214757	0	37	-2.0	-85.90	323.49	-2.23	-88.13
C[PH](C)([O-])C(=O)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214762	0	42	-2.0	-88.45	354.66	-0.39	-88.84
O=C(CCC1=NC(=O)NN1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214804	0	42	-2.0	-96.84	359.88	-2.68	-99.52
O=C(CCC1=NC(=O)[N-]N1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029214804	1	42	-2.0	-96.84	359.88	-2.68	-99.52
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=CN([O-])C1=O	REAL300029214813	0	40	-2.0	-108.86	340.75	2.37	-106.49
CSC1=NC=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C(=O)N1	REAL300029214834	0	42	-2.0	-84.21	370.27	-0.31	-84.52
CSC1=NC=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C(=O)[N-]1	REAL300029214834	1	42	-2.0	-84.21	370.27	-0.31	-84.52
CC1=C([O-])N=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)S1	REAL300029214860	1	39	-2.0	-100.84	347.56	-1.73	-102.57
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC(=O)C=C(Cl)[N-]1	REAL300029214884	1	39	-2.0	-84.57	350.17	1.08	-83.49
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC(=O)N([O-])C=C1	REAL300029214911	0	40	-2.0	-105.51	346.39	1.86	-103.65
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=CC(=O)N1[O-]	REAL300029214978	0	40	-2.0	-113.29	341.06	3.23	-110.06
O=C(C[N-]C(=O)C(F)(F)F)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215179	0	39	-2.0	-86.28	350.15	-2.32	-88.60
NC1=NC([O-])=C(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)S1	REAL300029215180	0	41	-2.0	-107.46	364.92	-3.18	-110.64
O=C(CC1=NC([O-])=CS1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215248	0	39	-2.0	-110.38	350.07	-2.32	-112.70
CCC1=NC=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C(=O)[N-]1	REAL300029215277	1	44	-2.0	-83.43	369.03	0.18	-83.25
O=C(CN1N=CC(=O)[N-]C1=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029215290	0	41	-2.0	-99.99	359.61	-3.75	-103.74
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=C(Cl)C(=O)[N-]S1	REAL300029215379	0	36	-2.0	-88.43	337.75	-0.91	-89.34
COCC1=NC=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C(=O)N1	REAL300029215506	0	45	-2.0	-84.40	381.96	-1.58	-85.98
COCC1=NC=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C(=O)[N-]1	REAL300029215506	1	45	-2.0	-84.40	381.96	-1.58	-85.98
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CN=C(CC2CC2)NC1=O	REAL300029215519	0	48	-2.0	-83.50	399.94	1.77	-81.73
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CN=C(CC2CC2)[N-]C1=O	REAL300029215519	1	48	-2.0	-83.50	399.94	1.77	-81.73
CC1=CC(=O)C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=N[N-]1	REAL300029215618	0	41	-2.0	-91.21	348.78	1.58	-89.63
CN1N=CC2=C1[N-]C=C(C(=O)NC1CC3CN(C(=O)C4=CC(=O)[N-]O4)CC31)C2=O	REAL300029215624	0	45	-2.0	-88.94	379.23	2.14	-86.80
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=NC(=O)N[N-]1	REAL300029215641	0	36	-2.0	-84.90	318.43	-3.63	-88.53
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029215670	0	41	-2.0	-85.89	361.14	0.69	-85.20
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029215670	1	41	-2.0	-85.89	361.14	0.69	-85.20
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CN=C(C=N[O-])S1	REAL300029215821	0	39	-2.0	-99.60	358.96	-0.64	-100.24
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=CC2=C1C(=O)N=C[N-]2	REAL300029216033	1	44	-2.0	-99.24	371.54	2.84	-96.40
CN1[N-]C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=CC1=O	REAL300029216086	0	40	-2.0	-87.51	346.57	-0.63	-88.14
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300029216097	1	43	-2.0	-108.95	369.11	-0.12	-109.07
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216101	0	40	-2.0	-91.24	360.93	-2.52	-93.76
CC1=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C(=S)[N-]C(=O)N1	REAL300029216102	1	42	-2.0	-104.15	369.96	-0.92	-105.07
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=NC(=O)[N-]C(=O)N1	REAL300029216337	0	38	-2.0	-87.98	336.96	-5.38	-93.36
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=NC(=O)NC(=O)[N-]1	REAL300029216337	1	38	-2.0	-82.02	337.61	-4.63	-86.65
O=C(COC1=NC(=O)[N-]C(=O)N1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216423	0	42	-2.0	-92.85	370.84	-6.22	-99.07
O=C(COC1=NC(=O)NC(=O)[N-]1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216423	1	42	-2.0	-87.00	370.79	-6.17	-93.17
O=C(CN1[N-]C(=O)C=CC1=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029216584	0	42	-2.0	-94.02	365.73	-1.77	-95.79
O=C(NC1CC2CN(C(=O)C3=NC=CC=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029216842	1	39	-2.0	-100.69	334.91	1.83	-98.86
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029216969	1	45	-2.0	-95.61	388.42	0.05	-95.56
CC(=O)[N-]C1=NC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=CS1	REAL300029216987	1	42	-2.0	-85.03	369.74	-0.08	-85.11
O=C(NC1CC2CN(C(=O)C3=NNC(=O)[N-]C3=O)CC21)C1=CC(=O)[N-]O1	REAL300029217023	0	38	-2.0	-90.85	334.77	-4.10	-94.95
COC1=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)NC(=O)[N-]C1=O	REAL300029217085	1	43	-2.0	-90.14	366.51	-2.81	-92.95
O=C(CN1C(=O)[N-]NC1=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029217285	0	40	-2.0	-101.95	349.12	-2.10	-104.05
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029217352	0	44	-2.0	-96.11	385.43	0.40	-95.71
O=C(CCCN1C(=O)[N-]NC1=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029218465	0	46	-2.0	-93.08	394.44	-1.26	-94.34
O=C(NC1CC2CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC21)C1=CC(=O)[N-]O1	REAL300029218712	1	45	-2.0	-95.10	388.92	0.54	-94.56
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029219744	0	44	-2.0	-89.73	382.86	-4.10	-93.83
O=C(NC1CC2CN(C(=O)C3=CC=C([O-])C([N+](=O)[O-])=C3)CC21)C1=CC(=O)[N-]O1	REAL300029219754	0	42	-2.0	-97.26	363.51	3.31	-93.95
O=C(NC1CC2CN(C(=O)C3=CC(Cl)=CC=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029219770	1	40	-2.0	-106.53	353.77	3.12	-103.41
N#CC1=CC([O-])=CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C1	REAL300029219807	1	41	-2.0	-95.68	358.20	1.73	-93.95
NC1=CC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C([O-])=C1Cl	REAL300029219842	0	42	-2.0	-100.57	369.72	0.29	-100.28
O=C(NC1CC2CN(C(=O)C3=CC=CC([N+](=O)[O-])=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029219911	0	42	-2.0	-103.60	367.11	3.39	-100.21
CCC1=NC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C(=O)[N-]1	REAL300029219948	1	44	-2.0	-93.62	378.26	-0.05	-93.67
O=C(NC1CC2CN(C(=O)C3=COC(=O)[N-]3)CC21)C1=CC(=O)[N-]O1	REAL300029219975	1	36	-2.0	-86.32	318.27	-2.03	-88.35
O=C(NC1CC2CN(C(=O)C3=CC=CC([O-])=C3[N+](=O)[O-])CC21)C1=CC(=O)[N-]O1	REAL300029220065	0	42	-2.0	-101.48	370.62	1.97	-99.51
O=C(C[N-]C(=O)C(F)(F)F)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220084	0	39	-2.0	-89.77	353.40	-2.16	-91.93
NC1=NC([O-])=C(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)S1	REAL300029220085	0	41	-2.0	-104.79	368.02	-3.12	-107.91
O=C(NC1CC2CN(C(=O)C3=C(F)C=C([O-])C=C3F)CC21)C1=CC(=O)[N-]O1	REAL300029220096	0	40	-2.0	-89.15	357.05	1.80	-87.35
O=C(NC1CC2CN(C(=O)C3=CC=C([O-])C=C3F)CC21)C1=CC(=O)[N-]O1	REAL300029220120	1	40	-2.0	-91.51	343.93	1.21	-90.30
O=C(NC1CC2CN(C(=O)C3=CC([O-])=C4SC=CC4=C3)CC21)C1=CC(=O)[N-]O1	REAL300029220128	1	43	-2.0	-92.51	374.29	2.16	-90.35
O=C(NC1CC2CN(C(=O)C3=CC([O-])=CC(=O)O3)CC21)C1=CC(=O)[N-]O1	REAL300029220131	0	39	-2.0	-88.21	339.83	0.55	-87.66
N#CC1=CC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C=C1[O-]	REAL300029220145	1	41	-2.0	-95.60	358.30	1.54	-94.06
O=C(NC1CC2CN(C(=O)C3=CC(Cl)=NC=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029220151	0	39	-2.0	-91.02	352.67	0.54	-90.48
N#CC1=CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C(N)[N-]C1=O	REAL300029220158	0	42	-2.0	-89.41	371.57	-1.37	-90.78
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220177	0	41	-2.0	-98.90	362.23	-3.61	-102.51
CC1=CC=C([O-])C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=N1	REAL300029220279	1	42	-2.0	-100.46	356.60	2.26	-98.20
O=C(CCC1=NNC(=O)[N-]1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220283	0	42	-2.0	-90.30	362.23	-1.85	-92.15
O=C(NC1CC2CN(C(=O)C3=C[N-]N=CC3=O)CC21)C1=CC(=O)[N-]O1	REAL300029220309	0	38	-2.0	-85.36	337.15	-0.39	-85.75
O=C(NC1CC2CN(C(=O)C3=CC=CC(F)=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029220323	0	40	-2.0	-103.35	347.36	1.88	-101.47
O=C(NC1CC2CN(C(=O)C3=CC=CC([O-])=C3F)CC21)C1=CC(=O)[N-]O1	REAL300029220469	1	40	-2.0	-99.56	347.61	1.03	-98.53
O=C(NC1CC2CN(C(=O)C3=CC=C([N+](=O)[O-])C([O-])=C3)CC21)C1=CC(=O)[N-]O1	REAL300029220561	0	42	-2.0	-96.22	364.08	2.90	-93.32
O=C(NC1CC2CN(C(=O)C3=CC(=O)N[N-]3)CC21)C1=CC(=O)[N-]O1	REAL300029220634	0	37	-2.0	-89.50	319.80	-1.90	-91.40
C[PH](C)([O-])C(=O)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220642	0	42	-2.0	-90.97	353.50	-0.39	-91.36
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029220672	0	45	-2.0	-100.81	391.20	2.77	-98.04
O=C(NC1CC2CN(C(=O)C3=CN=C(CC4CC4)NC3=O)CC21)C1=CC(=O)[N-]O1	REAL300029220695	0	48	-2.0	-93.55	409.18	1.54	-92.01
O=C(NC1CC2CN(C(=O)C3=CN=C(CC4CC4)[N-]C3=O)CC21)C1=CC(=O)[N-]O1	REAL300029220695	1	48	-2.0	-93.55	409.18	1.54	-92.01
COCC1=NC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C(=O)N1	REAL300029220719	0	45	-2.0	-93.99	391.19	-1.81	-95.80
COCC1=NC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C(=O)[N-]1	REAL300029220719	1	45	-2.0	-93.99	391.19	-1.81	-95.80
O=C(NC1CC2CN(C(=O)C3=CC(=O)N([O-])C=C3)CC21)C1=CC(=O)[N-]O1	REAL300029220784	0	40	-2.0	-99.75	350.42	1.88	-97.87
O=C(NC1CC2CN(C(=O)C3=CC(F)=C(F)C([O-])=C3F)CC21)C1=CC(=O)[N-]O1	REAL300029220821	0	40	-2.0	-92.71	359.88	1.18	-91.53
O=C(NC1CC2CN(C(=O)C3=NNC(=O)[N-]3)CC21)C1=CC(=O)[N-]O1	REAL300029220823	0	36	-2.0	-89.45	318.17	-3.53	-92.98
O=C(NC1CC2CN(C(=O)C3=C(O)C=CC=C3Cl)CC21)C1=CC(=O)[N-]O1	REAL300029220829	0	40	-2.0	-102.39	359.23	1.80	-100.59
O=C(NC1CC2CN(C(=O)C3=C([O-])C=CC=C3Cl)CC21)C1=CC(=O)[N-]O1	REAL300029220829	1	40	-2.0	-102.39	359.23	1.80	-100.59
O=C(NC1CC2CN(C(=O)C3=CC=CN([O-])C3=O)CC21)C1=CC(=O)[N-]O1	REAL300029220838	0	40	-2.0	-109.30	353.48	1.71	-107.59
O=C(NC1CC2CN(C(=O)C3=C(F)C=CC([O-])=C3F)CC21)C1=CC(=O)[N-]O1	REAL300029220881	1	40	-2.0	-93.43	356.09	1.41	-92.02
CC1=NC2=NC=C(C(=O)N3CC4CC(NC(=O)C5=CC(=O)[N-]O5)C4C3)C(=O)N2[N-]1	REAL300029220967	0	44	-2.0	-93.75	385.49	2.69	-91.06
NC1=CC(=O)[N-]C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=N1	REAL300029221015	0	40	-2.0	-103.73	345.52	-1.67	-105.40
O=C(NC1CC2CN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC21)C1=CC(=O)[N-]O1	REAL300029221100	0	40	-2.0	-89.84	354.10	1.66	-88.18
O=C(NC1CC2CN(C(=O)C3=CC(F)=CC=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029221108	1	40	-2.0	-105.61	343.45	2.66	-102.95
CC1=CC=NC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C1[O-]	REAL300029221209	1	42	-2.0	-99.59	355.32	2.36	-97.23
O=C(NC1CC2CN(C(=O)C3=CC=C(Cl)C(F)=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029221276	0	40	-2.0	-98.96	363.51	2.38	-96.58
O=C(NC1CC2CN(C(=O)C3=CN=CC([O-])=C3)CC21)C1=CC(=O)[N-]O1	REAL300029221409	1	39	-2.0	-86.76	336.68	-0.83	-87.59
O=C(NC1CC2CN(C(=O)C3=CC=CC(=S)N3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029221423	0	40	-2.0	-112.94	364.34	2.17	-110.77
O=C(NC1CC2CN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)CC21)C1=CC(=O)[N-]O1	REAL300029221581	1	48	-2.0	-95.09	404.68	1.08	-94.01
NC1=CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=CC([O-])=C1Cl	REAL300029221599	1	42	-2.0	-104.31	366.04	-0.16	-104.47
O=C(NC1CC2CN(C(=O)C3=CC=C([O-])C(Cl)=N3)CC21)C1=CC(=O)[N-]O1	REAL300029221604	0	39	-2.0	-84.75	349.77	0.64	-84.11
O=C(NC1CC2CN(C(=O)C3=CC=C([O-])C=C3Cl)CC21)C1=CC(=O)[N-]O1	REAL300029221681	1	40	-2.0	-90.21	352.66	1.64	-88.57
N#CC1=CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C([O-])C=C1N	REAL300029221684	0	43	-2.0	-93.92	374.93	0.09	-93.83
O=C(CC1=NC([O-])=CS1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221698	0	39	-2.0	-107.51	353.02	-2.11	-109.62
O=C(NC1CC2CN(C(=O)C3=C([O-])C=CC=C3F)CC21)C1=CC(=O)[N-]O1	REAL300029221723	0	40	-2.0	-98.93	349.74	1.42	-97.51
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221726	0	42	-2.0	-102.74	365.22	-1.12	-103.86
O=C(NC1CC2CN(C(=O)C3=CC=C(F)C=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029221729	0	40	-2.0	-101.20	343.68	2.21	-98.99
CC1=CC=C(F)C([O-])=C1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221784	0	43	-2.0	-109.36	369.33	1.98	-107.38
O=C(CC1SC(=O)[N-]C1=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221884	0	40	-2.0	-85.58	359.90	-2.91	-88.49
O=C(NC1CC2CN(C(=O)C3=CC=C([O-])C(F)=C3F)CC21)C1=CC(=O)[N-]O1	REAL300029221917	0	40	-2.0	-90.53	353.87	1.11	-89.42
O=C(NC1CC2CN(C(=O)C3=CC([N+](=O)[O-])=C[N-]C3=O)CC21)C1=CC(=O)[N-]O1	REAL300029221921	1	41	-2.0	-89.68	365.94	0.15	-89.53
O=C(NC1CC2CN(C(=O)C3=CC=CC(Cl)=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029221927	0	40	-2.0	-98.14	357.16	2.35	-95.79
CC1=CC(=O)C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=N[N-]1	REAL300029221965	0	41	-2.0	-90.48	351.96	1.77	-88.71
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029221971	0	45	-2.0	-109.94	380.92	1.57	-108.37
CN1N=CC2=C1[N-]C=C(C(=O)N1CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C1)C2=O	REAL300029221975	0	45	-2.0	-89.02	391.96	1.44	-87.58
O=C(NC1CC2CN(C(=O)C3=CC=CC(=O)N3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029222007	0	40	-2.0	-109.84	353.23	1.54	-108.30
N#CC1=CC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C(=O)[N-]1	REAL300029222055	0	40	-2.0	-89.77	362.73	-0.56	-90.33
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222056	0	42	-2.0	-90.97	373.67	-5.97	-96.94
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222056	1	42	-2.0	-85.47	373.62	-5.93	-91.40
O=C(NC1CC2CN(C(=O)C3=CC([O-])=CC=C3[N+](=O)[O-])CC21)C1=CC(=O)[N-]O1	REAL300029222087	0	42	-2.0	-84.19	366.95	2.55	-81.64
CN1N=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)[N-]C1=O	REAL300029222133	0	39	-2.0	-92.39	340.84	-1.86	-94.25
[N-]=[N+]=NC1=CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=CC=C1[O-]	REAL300029222175	0	42	-2.0	-86.16	369.79	-1.18	-87.34
O=C(NC1CC2CN(C(=O)C3=C(F)C=CC(O)=C3O)CC21)C1=CC(=O)[N-]O1	REAL300029222219	0	41	-2.0	-99.94	360.47	-0.51	-100.45
O=C(NC1CC2CN(C(=O)C3=C(F)C=CC(O)=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029222219	1	41	-2.0	-99.94	360.47	-0.51	-100.45
N#CC1=CC=C([O-])C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C1	REAL300029222232	0	41	-2.0	-102.24	357.88	3.02	-99.22
O=C(NC1CC2CN(C(=O)C3=CN([O-])C(=O)NC3=O)CC21)C1=CC(=O)[N-]O1	REAL300029222379	0	40	-2.0	-89.48	358.59	-0.85	-90.33
O=C(NC1CC2CN(C(=O)C3=CC(Cl)=C(F)C=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029222421	0	40	-2.0	-91.47	363.70	2.37	-89.10
O=C(NC1CC2CN(C(=O)C3=CC=C(F)C([O-])=C3)CC21)C1=CC(=O)[N-]O1	REAL300029222457	1	40	-2.0	-99.74	344.33	1.15	-98.59
O=C(NC1CC2CN(C(=O)C3=C([O-])C4=NC=CC=C4C=C3)CC21)C1=CC(=O)[N-]O1	REAL300029222467	1	45	-2.0	-109.20	381.68	2.54	-106.66
O=C(NC1CC2CN(C(=O)C3=CC=C([N+](=O)[O-])C=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029222471	0	42	-2.0	-97.51	365.43	2.81	-94.70
O=C(NC1CC2CN(C(=O)C3=CC([N+](=O)[O-])=CC=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029222474	0	42	-2.0	-97.00	365.17	3.26	-93.74
O=C(NC1CC2CN(C(=O)C3=CC=C(Cl)C=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029222488	1	40	-2.0	-101.25	354.00	2.66	-98.59
O=C(NC1CC2CN(C(=O)C3=CC([O-])=CC([N+](=O)[O-])=C3)CC21)C1=CC(=O)[N-]O1	REAL300029222511	0	42	-2.0	-86.10	365.54	2.00	-84.10
O=C(NC1CC2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)CC21)C1=CC(=O)[N-]O1	REAL300029222603	0	38	-2.0	-88.91	332.39	-4.38	-93.29
O=C(NC1CC2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)CC21)C1=CC(=O)[N-]O1	REAL300029222603	1	38	-2.0	-82.46	336.81	-3.75	-86.21
O=C(NC1CC2CN(C(=O)C3=CC=C4N=NN([O-])C4=C3)CC21)C1=CC(=O)[N-]O1	REAL300029222646	0	42	-2.0	-92.26	364.30	0.01	-92.25
O=C(NC1CC2CN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)CC21)C1=CC(=O)[N-]O1	REAL300029222692	1	45	-2.0	-104.63	380.35	4.01	-100.62
O=C(NC1CC2CN(C(=O)C3=C(Cl)C(=O)[N-]S3)CC21)C1=CC(=O)[N-]O1	REAL300029222693	0	36	-2.0	-93.19	336.04	-0.80	-93.99
NC1=NC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C(=O)[N-]1	REAL300029222719	1	40	-2.0	-94.35	351.18	-1.72	-96.07
CC1=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)[N-]C(=O)C(C#N)=C1	REAL300029222756	0	43	-2.0	-82.91	372.91	1.23	-81.68
O=C(NC1CC2CN(C(=O)C3=CC=C(F)C([O-])=C3F)CC21)C1=CC(=O)[N-]O1	REAL300029222783	0	40	-2.0	-99.01	353.82	1.10	-97.91
O=C(NC1CC2CN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)CC21)C1=CC(=O)[N-]O1	REAL300029222847	0	40	-2.0	-90.96	359.52	1.99	-88.97
O=C(NC1CC2CN(C(=O)C3=C[N-]C(=O)C([N+](=O)[O-])=C3)CC21)C1=CC(=O)[N-]O1	REAL300029222856	1	41	-2.0	-86.50	368.51	0.71	-85.79
COC1=NC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=CC(=O)[N-]1	REAL300029222862	0	42	-2.0	-90.07	362.24	-3.52	-93.59
O=C(NC1CC2CN(C(=O)C3=CC=C4N[N-]N=C4C3=O)CC21)C1=CC(=O)[N-]O1	REAL300029222865	0	42	-2.0	-92.25	367.57	-0.32	-92.57
O=C(NC1CC2CN(C(=O)C3=NC=CC(Cl)=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029222878	0	39	-2.0	-95.73	351.19	2.19	-93.54
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029222884	1	43	-2.0	-102.80	380.96	2.74	-100.06
O=C(NC1CC2CN(C(=O)C3=CC=C(Cl)C([O-])=C3)CC21)C1=CC(=O)[N-]O1	REAL300029222930	0	40	-2.0	-96.02	354.12	1.65	-94.37
O=C(NC1CC2CN(C(=O)C3=CC=NC=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029222941	0	39	-2.0	-97.01	335.78	0.10	-96.91
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC(=O)[N-]O1	REAL300029222951	0	36	-2.0	-90.26	318.12	-1.72	-91.98
CC1=C([O-])N=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)S1	REAL300029222995	1	39	-2.0	-92.17	350.41	-1.43	-93.60
O=C(NC1CC2CN(C(=O)C3=C([O-])C=CC4=CC=CC=C43)CC21)C1=CC(=O)[N-]O1	REAL300029223054	1	46	-2.0	-110.45	388.67	3.59	-106.86
O=C(NC1CC2CN(C(=O)C3=C([O-])C4=CC=CC=C4C=C3)CC21)C1=CC(=O)[N-]O1	REAL300029223074	1	46	-2.0	-103.46	386.20	4.20	-99.26
O=C(NC1CC2CN(C(=O)C3=CC4=CC=CC=C4C=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029223082	1	46	-2.0	-105.37	386.96	4.31	-101.06
O=C(NC1CC2CN(C(=O)C(=O)C3=CC=C([O-])C=C3)CC21)C1=CC(=O)[N-]O1	REAL300029223138	1	42	-2.0	-88.32	360.67	1.30	-87.02
O=C(NC1CC2CN(C(=O)C3=CN=C(C=N[O-])S3)CC21)C1=CC(=O)[N-]O1	REAL300029223177	0	39	-2.0	-98.66	356.30	-0.91	-99.57
O=C(NC1CC2CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)CC21)C1=CC(=O)[N-]O1	REAL300029223215	1	39	-2.0	-82.58	353.13	1.50	-81.08
CSC1=NC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C(=O)[N-]1	REAL300029223241	1	42	-2.0	-94.71	379.12	-0.55	-95.26
O=C(NC1CC2CN(C(=O)C3=CC(=O)NC([O-])=C3)CC21)C1=CC(=O)[N-]O1	REAL300029223250	0	40	-2.0	-84.48	354.39	-3.16	-87.64
CCN1[N-]C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=CC1=O	REAL300029223338	0	43	-2.0	-89.27	368.04	0.60	-88.67
CN1[N-]C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=CC1=O	REAL300029223362	0	40	-2.0	-88.45	346.23	-0.34	-88.79
O=C(NC1CC2CN(C(=O)C3=CC=CC4=C3C(=O)[N-]C4=O)CC21)C1=CC(=O)[N-]O1	REAL300029223377	1	43	-2.0	-103.23	373.30	-1.05	-104.28
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223382	0	40	-2.0	-89.51	363.76	-2.31	-91.82
CC1=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C(=S)[N-]C(=O)N1	REAL300029223384	1	42	-2.0	-109.27	373.10	-0.41	-109.68
CC1=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C(=O)[N-]C(C2CC2)=N1	REAL300029223395	1	48	-2.0	-105.35	402.49	1.29	-104.06
O=C(NC1CC2CN(C(=O)C3=C([O-])C=NC4=CC=CC=C43)CC21)C1=CC(=O)[N-]O1	REAL300029223460	1	45	-2.0	-104.97	385.29	2.17	-102.80
O=C(CC1=CC(=O)N[N-]1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029223580	1	40	-2.0	-96.19	346.88	-1.42	-97.61
O=C(NC1CC2CN(C(=O)C3=CC=C([O-])C(F)=C3)CC21)C1=CC(=O)[N-]O1	REAL300029223587	1	40	-2.0	-93.46	344.31	1.18	-92.28
O=C(NC1CC2CN(C(=O)C3=CC(F)=C([O-])C(F)=C3)CC21)C1=CC(=O)[N-]O1	REAL300029223655	0	40	-2.0	-90.75	350.18	0.97	-89.78
O=C(NC1CC2CN(C(=O)C3=CC=NC(Cl)=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029223661	0	39	-2.0	-107.10	348.30	1.17	-105.93
CC1=C(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C(=O)N(C)[N-]1	REAL300029223683	0	46	-2.0	-106.77	387.22	1.36	-105.41
O=C(CCC(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)C2C1)C1=CC=C([O-])C=C1	REAL300029223696	1	48	-2.0	-94.13	406.38	2.84	-91.29
CC1=CN=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C([O-])=C1	REAL300029223737	1	42	-2.0	-101.14	356.46	2.30	-98.84
O=C(NC1CC2CN(C(=O)C3=C(O)C=CC(Cl)=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029223754	0	41	-2.0	-98.18	370.18	-0.85	-99.03
O=C(NC1CC2CN(C(=O)C3=CC([O-])=CS3)CC21)C1=CC(=O)[N-]O1	REAL300029223779	0	37	-2.0	-96.49	330.07	-0.08	-96.57
O=C(NC1CC2CN(C(=O)C3=CN([O-])C(=O)C=C3)CC21)C1=CC(=O)[N-]O1	REAL300029223805	0	40	-2.0	-98.76	353.57	1.75	-97.01
O=C(NC1CC2CN(C(=O)C3=CC(F)=CC(Cl)=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029223811	0	40	-2.0	-91.30	363.56	2.42	-88.88
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CN([O-])C(=O)NC1=O	REAL300029223868	0	40	-2.0	-90.31	345.99	-0.15	-90.46
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029223905	1	41	-2.0	-76.78	360.07	0.10	-76.68
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C2CC2)[N-]C1=O	REAL300029224390	1	48	-2.0	-103.83	407.47	1.32	-102.51
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NNC(=O)[N-]C1=O	REAL300029225357	0	41	-2.0	-112.13	363.06	-3.94	-116.07
O=C(CN1C(=O)[N-]NC1=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029225459	0	43	-2.0	-116.30	377.17	-2.28	-118.58
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)C=C1	REAL300029226166	0	43	-2.0	-122.26	374.14	2.19	-120.07
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)NC([O-])=C1	REAL300029226297	0	43	-2.0	-101.84	374.60	-2.71	-104.55
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=COC(=O)[N-]1	REAL300029226308	1	39	-2.0	-99.80	346.67	-2.87	-102.67
CCN1[N-]C(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029226501	0	46	-2.0	-109.10	396.04	0.76	-108.34
O=C(CC1=CC(=O)N[N-]1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226509	1	43	-2.0	-99.58	372.39	-1.18	-100.76
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=S)N1[O-]	REAL300029226529	0	43	-2.0	-126.03	381.74	4.23	-121.80
O=C(CC1SC(=O)[N-]C1=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226540	0	43	-2.0	-106.52	385.28	-2.73	-109.25
CN1N=C(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300029226557	0	42	-2.0	-99.16	367.79	-1.68	-100.84
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]N=CC1=O	REAL300029226654	0	41	-2.0	-80.38	355.94	0.34	-80.04
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C2N=NN([O-])C2=C1	REAL300029226690	0	45	-2.0	-105.10	390.91	0.75	-104.35
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N[N-]1	REAL300029226775	0	40	-2.0	-104.54	351.50	-1.88	-106.42
C[PH](C)([O-])C(=O)C(=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226780	0	45	-2.0	-93.43	383.06	-0.53	-93.96
O=C(CCC1=NC(=O)NN1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226812	0	45	-2.0	-98.39	388.21	-2.16	-100.55
O=C(CCC1=NC(=O)[N-]N1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029226812	1	45	-2.0	-98.39	388.21	-2.16	-100.55
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CN([O-])C1=O	REAL300029226817	0	43	-2.0	-109.11	371.74	2.37	-106.74
CC1=C([O-])N=C(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029226852	1	42	-2.0	-100.57	377.09	-1.75	-102.32
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)C=C(Cl)[N-]1	REAL300029226866	1	42	-2.0	-89.81	380.69	1.42	-88.39
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N([O-])C=C1	REAL300029226886	0	43	-2.0	-108.38	373.55	2.18	-106.20
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=O)N1[O-]	REAL300029226929	0	43	-2.0	-123.34	370.62	3.19	-120.15
O=C(C[N-]C(=O)C(F)(F)F)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227067	0	42	-2.0	-88.72	381.84	-1.94	-90.66
NC1=NC([O-])=C(CC(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029227068	0	44	-2.0	-107.36	393.04	-2.78	-110.14
O=C(CC1=NC([O-])=CS1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227120	0	42	-2.0	-108.69	377.06	-1.96	-110.65
CCC1=NC=C(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029227141	1	47	-2.0	-102.13	396.64	0.66	-101.47
O=C(CN1N=CC(=O)[N-]C1=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227152	0	44	-2.0	-99.93	386.56	-3.40	-103.33
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C(Cl)C(=O)[N-]S1	REAL300029227217	0	39	-2.0	-93.15	368.10	-0.59	-93.74
CC1=CC(=O)C(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300029227392	0	44	-2.0	-92.67	380.47	1.98	-90.69
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)N[N-]1	REAL300029227408	0	39	-2.0	-93.71	345.14	-3.17	-96.88
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C=N[O-])S1	REAL300029227542	0	42	-2.0	-103.48	385.92	-0.29	-103.77
COC1=NC(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC(=O)[N-]1	REAL300029227558	0	45	-2.0	-96.76	391.26	-3.87	-100.63
CN1[N-]C(C(=O)NCC2CCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029227737	0	43	-2.0	-107.88	374.32	-0.17	-108.05
O=C(CSC1=NNC(=O)[N-]1)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029227745	0	43	-2.0	-93.00	389.27	-2.00	-95.00
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)[N-]C(=O)N1	REAL300029227920	0	41	-2.0	-95.52	363.67	-4.94	-100.46
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)NC(=O)[N-]1	REAL300029227920	1	41	-2.0	-99.33	365.27	-4.18	-103.51
O=C(CN1[N-]C(=O)C=CC1=O)NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029228089	0	45	-2.0	-100.75	392.33	-1.30	-102.05
O=C(NCC1CCC12CN(C(=O)C1=NC=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029228343	1	42	-2.0	-112.74	362.86	1.87	-110.87
O=C(NCC1CCC12CN(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300029228478	0	41	-2.0	-104.96	362.47	-3.78	-108.74
O=C(CN1C(=O)[N-]NC1=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029228671	0	43	-2.0	-95.99	379.85	-2.11	-98.10
O=C(NCC1CCC12CN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300029229635	1	48	-2.0	-115.11	406.34	2.08	-113.03
O=C(NCC1CCC12CN(C(=O)C1=CC(Cl)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029230323	1	43	-2.0	-99.88	383.29	3.46	-96.42
N#CC1=CC([O-])=CC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029230350	1	44	-2.0	-96.04	387.11	1.69	-94.35
CCC1=NC=C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029230449	1	47	-2.0	-113.39	395.25	1.48	-111.91
O=C(NCC1CCC12CN(C(=O)C1=COC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029230469	1	39	-2.0	-101.47	346.32	-2.31	-103.78
O=C(C[N-]C(=O)C(F)(F)F)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230546	0	42	-2.0	-89.11	383.83	-1.83	-90.94
NC1=NC([O-])=C(CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029230547	0	44	-2.0	-112.94	394.37	-2.66	-115.60
O=C(NCC1CCC12CN(C(=O)C1=C(F)C=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300029230557	0	43	-2.0	-93.72	385.53	1.76	-91.96
O=C(NCC1CCC12CN(C(=O)C1=CC=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300029230573	1	43	-2.0	-92.27	373.22	1.48	-90.79
O=C(NCC1CCC12CN(C(=O)C1=CC([O-])=CC(=O)O1)C2)C1=CC(=O)[N-]O1	REAL300029230579	0	42	-2.0	-88.69	371.45	0.88	-87.81
N#CC1=CC=C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300029230588	1	44	-2.0	-107.96	386.40	1.77	-106.19
O=C(NCC1CCC12CN(C(=O)C1=CC(Cl)=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029230592	0	42	-2.0	-95.23	376.37	1.63	-93.60
N#CC1=CC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)=C(N)[N-]C1=O	REAL300029230598	0	45	-2.0	-102.61	401.85	-1.28	-103.89
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230615	0	44	-2.0	-105.63	389.06	-3.24	-108.87
CC1=CC=C([O-])C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029230686	1	45	-2.0	-105.05	384.71	2.52	-102.53
O=C(CCC1=NNC(=O)[N-]1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230688	0	45	-2.0	-95.70	388.17	-1.51	-97.21
O=C(NCC1CCC12CN(C(=O)C1=C[N-]N=CC1=O)C2)C1=CC(=O)[N-]O1	REAL300029230707	0	41	-2.0	-92.47	354.70	1.06	-91.41
O=C(NCC1CCC12CN(C(=O)C1=CC=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029230718	0	43	-2.0	-122.52	372.64	2.98	-119.54
O=C(NCC1CCC12CN(C(=O)C1=CC=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300029230822	1	43	-2.0	-119.14	372.94	1.46	-117.68
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029230947	0	40	-2.0	-89.35	351.44	-1.67	-91.02
C[PH](C)([O-])C(=O)C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029230953	0	45	-2.0	-97.41	384.02	-0.53	-97.94
CN1[N-]C(CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029230958	0	46	-2.0	-100.92	397.20	0.64	-100.28
O=C(NCC1CCC12CN(C(=O)C1=CC(F)=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029231033	0	43	-2.0	-112.72	379.05	3.04	-109.68
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300029231061	0	43	-2.0	-116.37	372.24	1.88	-114.49
O=C(NCC1CCC12CN(C(=O)C1=NC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029231090	0	39	-2.0	-89.02	346.17	-2.68	-91.70
O=C(NCC1CCC12CN(C(=O)C1=C([O-])C=CC=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300029231094	1	43	-2.0	-101.04	389.80	2.15	-98.89
O=C(NCC1CCC12CN(C(=O)C1=CC=CN([O-])C1=O)C2)C1=CC(=O)[N-]O1	REAL300029231099	0	43	-2.0	-116.23	380.33	2.19	-114.04
O=C(NCC1CCC12CN(C(=O)C1=C(F)C=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300029231129	1	43	-2.0	-99.50	386.12	1.75	-97.75
NC1=CC(=O)[N-]C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029231227	0	43	-2.0	-98.09	375.79	-2.12	-100.21
O=C(NCC1CCC12CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C2)C1=CC(=O)[N-]O1	REAL300029231286	0	43	-2.0	-90.57	382.43	1.93	-88.64
O=C(NCC1CCC12CN(C(=O)C1=CC(F)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029231291	1	43	-2.0	-99.24	372.98	3.02	-96.22
CC1=CC=NC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029231358	1	45	-2.0	-112.67	383.12	2.56	-110.11
O=C(NCC1CCC12CN(C(=O)C1=CN=CC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029231489	1	42	-2.0	-99.94	361.27	-0.46	-100.40
O=C(NCC1CCC12CN(C(=O)C1=CC=CC(=S)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300029231499	0	43	-2.0	-136.24	380.55	3.95	-132.29
O=C(NCC1CCC12CN(C(=O)C1=CC=C([O-])C(Cl)=N1)C2)C1=CC(=O)[N-]O1	REAL300029231627	0	42	-2.0	-96.98	381.17	0.67	-96.31
O=C(NCC1CCC12CN(C(=O)C1=CC=C([O-])C=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300029231673	1	43	-2.0	-90.69	381.39	1.94	-88.75
N#CC1=CC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)=C([O-])C=C1N	REAL300029231675	0	46	-2.0	-109.98	400.11	1.20	-108.78
O=C(CC1=NC([O-])=CS1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231685	0	42	-2.0	-107.16	378.80	-1.78	-108.94
O=C(NCC1CCC12CN(C(=O)C1=C([O-])C=CC=C1F)C2)C1=CC(=O)[N-]O1	REAL300029231700	0	43	-2.0	-98.59	380.30	1.78	-96.81
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231702	0	45	-2.0	-100.64	394.06	-1.14	-101.78
O=C(NCC1CCC12CN(C(=O)C1=CC=C(F)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029231704	0	43	-2.0	-102.14	372.96	3.03	-99.11
CC1=CC=C(F)C([O-])=C1C(=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231744	0	46	-2.0	-121.46	399.19	2.33	-119.13
O=C(CC1SC(=O)[N-]C1=O)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231819	0	43	-2.0	-100.66	387.17	-2.61	-103.27
O=C(NCC1CCC12CN(C(=O)C1=CC=C([O-])C(F)=C1F)C2)C1=CC(=O)[N-]O1	REAL300029231845	0	43	-2.0	-106.79	379.14	1.54	-105.25
O=C(NCC1CCC12CN(C(=O)C1=CC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029231852	0	43	-2.0	-116.44	382.45	3.43	-113.01
CC1=CC(=O)C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029231883	0	44	-2.0	-105.07	379.67	2.09	-102.98
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029231887	0	48	-2.0	-107.16	412.36	1.94	-105.22
O=C(NCC1CCC12CN(C(=O)C1=CC=CC(=O)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300029231911	0	43	-2.0	-133.86	369.43	2.91	-130.95
N#CC1=CC=C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029231944	0	43	-2.0	-95.90	380.25	1.02	-94.88
CN1N=C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029231999	0	42	-2.0	-96.19	368.89	-1.47	-97.66
[N-]=[N+]=NC1=CC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)=CC=C1[O-]	REAL300029232025	0	45	-2.0	-87.09	394.22	-0.79	-87.88
O=C(NCC1CCC12CN(C(=O)C1=C(F)C=CC(O)=C1O)C2)C1=CC(=O)[N-]O1	REAL300029232061	0	44	-2.0	-106.08	390.49	-0.15	-106.23
O=C(NCC1CCC12CN(C(=O)C1=C(F)C=CC(O)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029232061	1	44	-2.0	-106.08	390.49	-0.15	-106.23
N#CC1=CC=C([O-])C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029232071	0	44	-2.0	-96.25	387.40	3.36	-92.89
O=C(NCC1CCC12CN(C(=O)C1=CN([O-])C(=O)NC1=O)C2)C1=CC(=O)[N-]O1	REAL300029232173	0	43	-2.0	-93.24	375.88	0.64	-92.60
O=C(NCC1CCC12CN(C(=O)C1=CC=C(F)C(O)=C1)C2)C1=CC(=O)[N-]O1	REAL300029232232	0	43	-2.0	-101.64	372.68	1.41	-100.23
O=C(NCC1CCC12CN(C(=O)C1=CC=C(F)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029232232	1	43	-2.0	-101.64	372.68	1.41	-100.23
O=C(NCC1CCC12CN(C(=O)C1=CC=C(Cl)C=C1O)C2)C1=CC(=O)[N-]O1	REAL300029232252	0	43	-2.0	-102.01	383.28	3.48	-98.53
O=C(NCC1CCC12CN(C(=O)C1=CC=C(Cl)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029232252	1	43	-2.0	-102.01	383.28	3.48	-98.53
O=C(NCC1CCC12CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2)C1=CC(=O)[N-]O1	REAL300029232330	0	41	-2.0	-90.14	364.24	-4.40	-94.54
O=C(NCC1CCC12CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029232330	1	41	-2.0	-85.70	364.84	-3.64	-89.34
O=C(NCC1CCC12CN(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2)C1=CC(=O)[N-]O1	REAL300029232351	0	45	-2.0	-98.27	388.54	0.42	-97.85
O=C(NCC1CCC12CN(C(=O)C1=C(Cl)C(=O)[N-]S1)C2)C1=CC(=O)[N-]O1	REAL300029232382	0	39	-2.0	-102.07	367.03	-0.70	-102.77
NC1=NC=C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029232400	1	43	-2.0	-117.08	378.15	-1.27	-118.35
CC1=C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029232426	0	46	-2.0	-85.56	400.91	1.32	-84.24
O=C(NCC1CCC12CN(C(=O)C1=CC=C(F)C([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300029232443	0	43	-2.0	-118.40	379.11	1.52	-116.88
COC1=NC(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029232494	0	45	-2.0	-105.97	390.33	-3.44	-109.41
O=C(NCC1CCC12CN(C(=O)C1=CC=C3N[N-]N=C3C1=O)C2)C1=CC(=O)[N-]O1	REAL300029232495	0	45	-2.0	-98.38	394.88	0.19	-98.19
O=C(NCC1CCC12CN(C(=O)C1=NC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029232505	0	42	-2.0	-108.58	379.07	2.39	-106.19
O=C(NCC1CCC12CN(C(=O)C1=CC=C(Cl)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029232545	0	43	-2.0	-97.80	382.48	1.90	-95.90
O=C(NCC1CCC12CN(C(=O)C1=CC=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029232555	0	42	-2.0	-103.02	359.60	1.21	-101.81
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)[N-]O1	REAL300029232561	0	39	-2.0	-105.43	346.24	-1.40	-106.83
CC1=C([O-])N=C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029232587	1	42	-2.0	-94.79	378.08	-1.27	-96.06
O=C(NCC1CCC12CN(C(=O)C(=O)C1=CC=C([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300029232686	1	45	-2.0	-89.90	389.31	1.59	-88.31
O=C(NCC1CCC12CN(C(=O)C1=CN=C(C=N[O-])S1)C2)C1=CC(=O)[N-]O1	REAL300029232712	0	42	-2.0	-110.41	384.70	-0.43	-110.84
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029232737	1	42	-2.0	-86.10	381.11	1.75	-84.35
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)NC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029232762	0	43	-2.0	-93.65	371.15	-2.98	-96.63
CCN1[N-]C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029232826	0	46	-2.0	-93.05	395.98	0.97	-92.08
CN1[N-]C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029232848	0	43	-2.0	-92.22	374.25	0.04	-92.18
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029232860	0	43	-2.0	-92.11	390.54	-1.86	-93.97
O=C(CC1=CC(=O)N[N-]1)N1CC2(CCC2CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029233008	1	43	-2.0	-98.01	374.85	-1.07	-99.08
O=C(NCC1CCC12CN(C(=O)C1=CC=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300029233013	1	43	-2.0	-94.38	372.64	1.44	-92.94
O=C(NCC1CCC12CN(C(=O)C1=CC(F)=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300029233067	0	43	-2.0	-98.62	377.44	1.52	-97.10
O=C(NCC1CCC12CN(C(=O)C1=CC=NC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029233073	0	42	-2.0	-98.66	375.69	1.65	-97.01
CC1=C(CC(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029233088	0	49	-2.0	-99.65	417.18	1.33	-98.32
CC1=CN=C(C(=O)N2CC3(CCC3CNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029233126	1	45	-2.0	-114.54	384.32	2.51	-112.03
O=C(NCC1CCC12CN(C(=O)C1=CC([O-])=CS1)C2)C1=CC(=O)[N-]O1	REAL300029233151	0	40	-2.0	-110.47	358.47	0.42	-110.05
O=C(NCC1CCC12CN(C(=O)C1=CN([O-])C(=O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300029233167	0	43	-2.0	-116.31	371.35	1.88	-114.43
O=C(NCC1CCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)NC1=O	REAL300029233202	0	43	-2.0	-103.04	376.98	-0.17	-103.21
COCC1(CNC(=O)C2=NNC(=O)[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234012	0	44	-2.0	-105.25	370.87	-3.03	-108.28
COCC1(CNC(=O)CN2C(=O)[N-]NC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234062	0	46	-2.0	-105.91	384.95	-1.34	-107.25
COCC1(CNC(=O)C2=CN([O-])C(=O)C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234428	0	46	-2.0	-114.13	379.06	3.16	-110.97
COCC1(CNC(=O)C2=CC(=O)NC([O-])=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234503	0	46	-2.0	-100.69	379.62	-1.75	-102.44
COCC1(CNC(=O)C2=COC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234514	1	42	-2.0	-103.87	351.99	-1.83	-105.70
CCN1[N-]C(C(=O)NCC2(COC)CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029234623	0	49	-2.0	-104.34	401.37	1.79	-102.55
COCC1(CNC(=O)CC2=CC(=O)N[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234630	1	46	-2.0	-106.18	378.16	-0.25	-106.43
COCC1(CNC(=O)C2=NN(C)C(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234651	0	45	-2.0	-107.94	376.56	-0.76	-108.70
COCC1(CNC(=O)C2=C[N-]N=CC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234705	0	44	-2.0	-97.95	358.83	1.21	-96.74
COCC1(CNC(=O)C2=CC(=O)N[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234768	0	43	-2.0	-102.97	356.71	-0.92	-103.89
COCC1(CNC(=O)C(=O)[PH](C)(C)[O-])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234773	0	48	-2.0	-102.01	392.97	0.55	-101.46
COCC1(CNC(=O)CCC2=NC(=O)NN2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234793	0	48	-2.0	-108.64	393.41	-1.21	-109.85
COCC1(CNC(=O)CCC2=NC(=O)[N-]N2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234793	1	48	-2.0	-108.64	393.41	-1.21	-109.85
COCC1(CNC(=O)C2=CC=CN([O-])C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234795	0	46	-2.0	-100.94	379.10	3.14	-97.80
COCC1(CNC(=O)C2=NC(=O)C(C)S2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234815	0	45	-2.0	-109.46	385.80	-0.78	-110.24
COCC1(CNC(=O)C2=NC([O-])=C(C)S2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234815	1	45	-2.0	-109.46	385.80	-0.78	-110.24
COCC1(CNC(=O)C2=CC(=O)N([O-])C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234831	0	46	-2.0	-111.48	380.50	3.18	-108.30
COCC1(CNC(=O)C2=CC=CC(=O)N2[O-])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234855	0	46	-2.0	-126.09	377.57	4.19	-121.90
COCC1(CNC(=O)CC2=NC([O-])=CS2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029234964	0	45	-2.0	-119.16	384.00	-0.97	-120.13
COCC1(CNC(=O)C2=N[N-]C(C)=CC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235112	0	47	-2.0	-107.84	388.03	2.83	-105.01
COCC1(CNC(=O)C2=NC(=O)N[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235122	0	42	-2.0	-101.96	352.08	-2.18	-104.14
COCC1(CNC(=O)C2=CC(=O)N(C)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235295	0	46	-2.0	-103.48	379.64	0.86	-102.62
COCC1(CNC(=O)C2=NC(=O)[N-]C(=O)N2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235383	0	44	-2.0	-97.80	373.03	-3.10	-100.90
COCC1(CNC(=O)C2=NC(=O)NC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029235383	1	44	-2.0	-97.80	373.03	-3.10	-100.90
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC=CC=C1O	REAL300029235733	0	45	-2.0	-112.57	369.11	2.56	-110.01
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC=CC=C1[O-]	REAL300029235733	1	45	-2.0	-112.57	369.11	2.56	-110.01
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300029235822	0	44	-2.0	-106.45	367.94	-3.15	-109.60
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300029235903	0	46	-2.0	-101.59	391.24	-2.56	-104.15
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=COC(=O)[N-]1	REAL300029236604	1	42	-2.0	-98.59	351.70	-0.59	-99.18
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C=C1F	REAL300029236668	1	46	-2.0	-113.10	375.77	2.87	-110.23
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300029236671	0	45	-2.0	-99.29	376.61	1.85	-97.44
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC(C)=CC=C1[O-]	REAL300029236712	1	48	-2.0	-112.77	390.08	3.19	-109.58
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC1=NC(=O)[N-]N1	REAL300029236713	1	48	-2.0	-103.30	399.60	-2.55	-105.85
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300029236722	0	44	-2.0	-87.15	372.25	0.79	-86.36
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300029236727	0	46	-2.0	-137.08	373.67	4.02	-133.06
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC([O-])=C1F	REAL300029236776	1	46	-2.0	-133.05	373.99	2.94	-130.11
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300029236836	0	43	-2.0	-99.57	357.23	-0.58	-100.15
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300029236840	0	48	-2.0	-94.79	393.08	0.56	-94.23
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300029236881	0	46	-2.0	-127.35	375.51	3.45	-123.90
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC(=O)N[N-]1	REAL300029236897	0	42	-2.0	-101.28	351.24	-1.28	-102.56
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CN([O-])C1=O	REAL300029236901	0	46	-2.0	-120.82	379.96	3.66	-117.16
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC(N)=CC(=O)[N-]1	REAL300029236966	0	46	-2.0	-109.15	380.63	-0.80	-109.95
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300029236990	1	46	-2.0	-124.93	374.92	3.89	-121.04
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC=CC(C)=C1[O-]	REAL300029237029	1	48	-2.0	-113.53	388.68	3.28	-110.25
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=CC([O-])=C1	REAL300029237081	1	45	-2.0	-114.75	365.44	1.04	-113.71
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=NC([O-])=CS1	REAL300029237156	0	45	-2.0	-119.50	392.10	-2.21	-121.71
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300029237166	0	46	-2.0	-130.42	375.44	3.81	-126.61
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=N[N-]C(C)=CC1=O	REAL300029237238	0	47	-2.0	-103.91	387.63	2.70	-101.21
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300029237248	0	46	-2.0	-140.79	384.22	3.52	-137.27
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300029237283	0	45	-2.0	-109.15	373.98	-0.36	-109.51
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300029237385	1	46	-2.0	-129.62	375.51	3.03	-126.59
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029237423	0	44	-2.0	-95.68	370.00	-2.17	-97.85
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029237423	1	44	-2.0	-95.68	370.00	-2.17	-97.85
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=C(N)NC1=O	REAL300029237451	0	46	-2.0	-98.23	370.22	-0.43	-98.66
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300029237451	1	46	-2.0	-98.23	370.22	-0.43	-98.66
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029237526	0	42	-2.0	-104.02	351.57	-0.36	-104.38
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC(=O)C(C)S1	REAL300029237538	0	45	-2.0	-103.33	384.16	0.05	-103.28
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC([O-])=C(C)S1	REAL300029237538	1	45	-2.0	-103.33	384.16	0.05	-103.28
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300029237622	0	46	-2.0	-106.65	376.50	-1.47	-108.12
CCN1[N-]C(C(=O)N2CCCC2(CNC(=O)C2=CC(=O)[N-]O2)COC)=CC1=O	REAL300029237661	0	49	-2.0	-103.59	401.78	2.05	-101.54
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300029237673	0	46	-2.0	-101.65	381.51	1.15	-100.50
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC(=O)NN1	REAL300029237735	0	46	-2.0	-105.50	384.35	-1.58	-107.08
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC(=O)N[N-]1	REAL300029237735	1	46	-2.0	-105.50	384.35	-1.58	-107.08
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(O)C(F)=C1	REAL300029237739	0	46	-2.0	-114.91	375.46	3.07	-111.84
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300029237739	1	46	-2.0	-114.91	375.46	3.07	-111.84
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC=C(C)C=C1O	REAL300029237790	0	48	-2.0	-114.42	390.56	3.19	-111.23
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC=C(C)C=C1[O-]	REAL300029237790	1	48	-2.0	-114.42	390.56	3.19	-111.23
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CS1	REAL300029237802	0	43	-2.0	-124.01	361.43	1.76	-122.25
COCC1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300029237811	0	46	-2.0	-128.71	375.83	3.39	-125.32
CC1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238357	1	44	-2.0	-93.62	368.57	1.33	-92.29
CC1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029238664	0	44	-2.0	-80.17	359.14	0.42	-79.75
CC1CN(C(=O)CCCN2C(=O)[N-]NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239214	0	45	-2.0	-88.74	370.36	-0.92	-89.66
CC(C)CN1[N-]C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)=CC1=O	REAL300029239411	0	51	-2.0	-94.04	408.85	3.11	-90.93
CC1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239505	0	43	-2.0	-87.66	362.15	-3.37	-91.03
CC(=O)[N-]C1=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)=CS1	REAL300029239506	1	41	-2.0	-83.06	353.53	0.70	-82.36
CC1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029239720	1	44	-2.0	-94.64	367.90	0.77	-93.87
COC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)NC(=O)[N-]C1=O	REAL300029239865	1	42	-2.0	-89.77	357.59	-3.56	-93.33
CC1CN(C(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240016	0	37	-2.0	-87.16	312.01	-3.81	-90.97
CC1CN(C(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240158	0	39	-2.0	-88.71	331.93	-1.89	-90.60
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C(=O)[N-]C(C(C)C)=N1	REAL300029240201	1	49	-2.0	-94.28	393.76	1.35	-92.93
CC1CN(C(=O)CN2[N-]C=C3C2=NC=NC3=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029240339	0	43	-2.0	-90.53	361.39	0.72	-89.81
CC1CN(C(=O)C2=CN([O-])C(=O)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241253	0	39	-2.0	-97.57	325.80	2.33	-95.24
CC1CN(C(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241460	0	39	-2.0	-84.23	333.72	-2.42	-86.65
CC1CN(C(=O)C2=COC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241476	1	35	-2.0	-81.83	294.33	-1.28	-83.11
CC1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241539	1	47	-2.0	-85.97	376.85	1.81	-84.16
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)=CC1=O	REAL300029241760	0	42	-2.0	-86.39	347.95	1.58	-84.81
CC1CN(C(=O)CC2=CC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241771	1	39	-2.0	-91.00	322.84	-1.09	-92.09
CC1CN(C(=O)C2=CC=CC(=S)N2[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241798	0	39	-2.0	-111.90	340.23	2.68	-109.22
CC1CN(C(=O)CC2SC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241817	0	39	-2.0	-83.06	336.63	-2.42	-85.48
CC1CN(C(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241837	0	38	-2.0	-89.17	316.52	-1.21	-90.38
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C(=O)NC(C2CC2)=N1	REAL300029241969	0	47	-2.0	-94.31	388.70	1.85	-92.46
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C(=O)[N-]C(C2CC2)=N1	REAL300029241969	1	47	-2.0	-94.31	388.70	1.85	-92.46
CC1CN(C(=O)C2=C[N-]N=CC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029241985	0	37	-2.0	-83.80	316.68	0.35	-83.45
CC1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242029	0	41	-2.0	-95.58	339.72	0.49	-95.09
CC1CN(C(=O)C2=CC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242156	0	36	-2.0	-83.79	303.30	-1.09	-84.88
CC1CN(C(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242161	0	41	-2.0	-82.85	333.56	-0.53	-83.38
CC1CN(C(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242215	0	39	-2.0	-100.57	327.99	2.40	-98.17
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C(=O)N1	REAL300029242241	0	41	-2.0	-92.95	359.07	0.19	-92.76
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C(=O)[N-]1	REAL300029242241	1	41	-2.0	-92.95	359.07	0.19	-92.76
CC1SC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)=NC1=O	REAL300029242269	0	38	-2.0	-94.67	326.10	-0.68	-95.35
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)S1	REAL300029242269	1	38	-2.0	-94.67	326.10	-0.68	-95.35
CC1CN(C(=O)C2=CC(=O)C=C(Cl)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242293	0	38	-2.0	-80.46	329.34	2.03	-78.43
CC1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242293	1	38	-2.0	-80.46	329.34	2.03	-78.43
CC1CN(C(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242321	0	39	-2.0	-98.92	324.64	2.00	-96.92
CC1CN(C(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242396	0	39	-2.0	-108.28	329.12	2.05	-106.23
CC1CN(C(=O)CC2=C([O-])N=C(N)S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242615	0	40	-2.0	-101.01	347.54	-2.39	-103.40
CC1CN(C(=O)CC2=NC([O-])=CS2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242694	0	38	-2.0	-101.44	328.69	-1.80	-103.24
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C(=O)N1	REAL300029242726	0	43	-2.0	-91.85	357.76	0.68	-91.17
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C(=O)[N-]1	REAL300029242726	1	43	-2.0	-91.85	357.76	0.68	-91.17
CC1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242840	0	35	-2.0	-85.32	317.29	-0.69	-86.01
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C(=O)[N-]1	REAL300029242980	1	44	-2.0	-92.36	370.69	-1.08	-93.44
CC1CN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029242995	1	47	-2.0	-91.95	388.69	2.28	-89.67
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)=N[N-]1	REAL300029243103	0	40	-2.0	-87.81	328.08	2.24	-85.57
CC1CN(C(=O)C2=NC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243126	0	35	-2.0	-80.97	293.71	-2.10	-83.07
CC1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243156	1	40	-2.0	-86.31	343.83	1.21	-85.10
CC1=NC2=NC=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)C(C)C3)C(=O)N2[N-]1	REAL300029243192	0	43	-2.0	-91.29	361.06	3.15	-88.14
CC1CN(C(=O)C2=CN=C(C=N[O-])S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243319	0	38	-2.0	-97.34	335.30	-0.29	-97.63
COC1=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)=CC(=O)[N-]1	REAL300029243340	0	41	-2.0	-85.52	338.36	-2.84	-88.36
CC1CN(C(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243605	0	39	-2.0	-85.83	326.14	0.64	-85.19
CC1CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243615	1	42	-2.0	-98.13	350.84	-0.65	-98.78
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243619	0	39	-2.0	-88.17	343.24	-1.55	-89.72
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C(=S)[N-]C(=O)N1	REAL300029243620	1	41	-2.0	-98.64	351.94	-0.75	-99.39
CC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243885	0	37	-2.0	-90.96	316.23	-4.82	-95.78
CC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243885	1	37	-2.0	-83.07	321.36	-4.06	-87.13
CC1CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243985	0	41	-2.0	-90.50	353.15	-5.27	-95.77
CC1CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029243985	1	41	-2.0	-83.89	349.00	-5.50	-89.39
CC1CN(C(=O)CN2[N-]C(=O)C=CC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029244164	0	41	-2.0	-89.57	347.99	-0.91	-90.48
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300029244409	1	38	-2.0	-93.57	311.08	2.02	-91.55
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300029244530	1	44	-2.0	-94.21	363.80	0.52	-93.69
CC(=O)[N-]C1=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)=CS1	REAL300029244543	1	41	-2.0	-82.99	349.56	0.41	-82.58
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300029244575	0	37	-2.0	-86.69	310.90	-3.79	-90.48
COC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)NC(=O)[N-]C1=O	REAL300029244635	1	42	-2.0	-89.86	357.65	-3.58	-93.44
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300029244817	0	39	-2.0	-88.86	331.84	-1.89	-90.75
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300029244872	0	43	-2.0	-90.53	365.39	1.00	-89.53
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCN1C(=O)[N-]NC1=O	REAL300029245872	0	45	-2.0	-88.88	374.74	-0.51	-89.39
CC(C)CN1[N-]C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)=CC1=O	REAL300029246047	0	51	-2.0	-94.86	411.25	3.45	-91.41
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300029246103	1	44	-2.0	-84.03	356.75	1.00	-83.03
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300029247026	0	43	-2.0	-87.72	362.08	-3.36	-91.08
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300029247034	0	41	-2.0	-88.12	348.76	3.59	-84.53
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300029247053	1	39	-2.0	-91.34	338.20	3.53	-87.81
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300029247091	1	40	-2.0	-85.74	339.79	1.84	-83.90
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(N)C(Cl)=C1[O-]	REAL300029247121	0	41	-2.0	-95.92	350.07	1.48	-94.44
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300029247177	0	41	-2.0	-98.21	347.51	4.42	-93.79
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)[N-]1	REAL300029247211	1	43	-2.0	-91.91	357.74	0.69	-91.22
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300029247237	1	35	-2.0	-81.60	297.98	-1.07	-82.67
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300029247346	0	38	-2.0	-82.91	332.29	-1.88	-84.79
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300029247347	0	40	-2.0	-101.40	343.49	-2.64	-104.04
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C=C1F	REAL300029247385	1	39	-2.0	-87.23	328.17	1.92	-85.31
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=C2SC=CC2=C1	REAL300029247393	1	42	-2.0	-95.69	355.42	2.79	-92.90
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300029247396	0	38	-2.0	-86.44	323.95	1.06	-85.38
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300029247409	1	40	-2.0	-89.37	338.68	1.88	-87.49
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300029247415	0	38	-2.0	-86.91	327.24	1.32	-85.59
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1	REAL300029247419	0	41	-2.0	-86.55	354.77	-1.08	-87.63
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300029247435	0	40	-2.0	-92.07	338.18	-3.27	-95.34
CC1=CC=C([O-])C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)=N1	REAL300029247538	1	41	-2.0	-94.24	333.40	2.71	-91.53
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300029247567	0	37	-2.0	-83.81	316.66	0.36	-83.45
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300029247579	0	39	-2.0	-98.21	327.72	3.06	-95.15
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC([O-])=C1F	REAL300029247716	1	39	-2.0	-95.79	327.97	1.90	-93.89
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300029247796	0	41	-2.0	-90.95	344.52	3.24	-87.71
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300029247866	0	36	-2.0	-83.50	299.17	-1.38	-84.88
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300029247873	0	41	-2.0	-82.52	333.95	-0.43	-82.95
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC(=O)N(C)[N-]1	REAL300029247877	0	42	-2.0	-93.41	349.67	0.91	-92.50
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)C=C([O-])C1=CC=CC=N1	REAL300029247905	0	44	-2.0	-98.83	371.17	3.17	-95.66
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(CC2CC2)[N-]C1=O	REAL300029247927	1	47	-2.0	-91.95	388.66	2.29	-89.66
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(N)=C(F)C([O-])=C1F	REAL300029247938	0	41	-2.0	-96.95	348.34	-0.14	-97.09
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)[N-]1	REAL300029247945	1	44	-2.0	-92.41	370.67	-1.07	-93.48
CC1=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)=CC([N+](=O)[O-])=C1[O-]	REAL300029247954	0	44	-2.0	-88.92	362.82	4.06	-84.86
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC(F)=C1[O-]	REAL300029247976	0	39	-2.0	-90.97	334.19	3.14	-87.83
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300029248005	0	39	-2.0	-99.61	333.36	2.47	-97.14
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL300029248044	0	39	-2.0	-89.63	340.51	2.03	-87.60
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300029248046	0	35	-2.0	-85.62	293.88	-2.00	-87.62
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300029248059	0	39	-2.0	-107.57	332.95	2.48	-105.09
CC1=NC2=NC=C(C(=O)N3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C)C(=O)N2[N-]1	REAL300029248178	0	43	-2.0	-91.49	364.94	3.42	-88.07
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(N)=CC(=O)[N-]1	REAL300029248217	0	39	-2.0	-89.92	323.61	-1.83	-91.75
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C=C(C#N)C(=O)[N-]C1=O	REAL300029248232	0	42	-2.0	-95.52	362.60	-0.98	-96.50
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300029248295	0	39	-2.0	-86.04	336.78	2.31	-83.73
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300029248303	1	39	-2.0	-90.93	327.89	3.09	-87.84
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)=C1[O-]	REAL300029248403	1	41	-2.0	-93.71	331.89	2.73	-90.98
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300029248462	0	39	-2.0	-94.09	343.87	3.57	-90.52
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=CC([O-])=C1	REAL300029248585	1	38	-2.0	-87.98	318.29	0.07	-87.91
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300029248599	0	39	-2.0	-108.66	332.82	3.00	-105.66
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300029248759	1	47	-2.0	-93.28	384.61	1.82	-91.46
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300029248774	1	41	-2.0	-91.25	347.23	-0.08	-91.33
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300029248778	0	38	-2.0	-83.42	330.18	1.16	-82.26
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N	REAL300029248845	0	43	-2.0	-91.67	360.25	1.77	-89.90
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300029248852	1	39	-2.0	-86.56	336.86	2.36	-84.20
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300029248854	0	42	-2.0	-90.70	355.29	1.28	-89.42
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=NC([O-])=CS1	REAL300029248866	0	38	-2.0	-100.71	328.68	-1.77	-102.48
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300029248892	0	41	-2.0	-90.47	343.99	-1.18	-91.65
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300029248897	0	39	-2.0	-92.78	327.95	3.10	-89.68
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300029249036	0	39	-2.0	-83.13	339.99	-2.27	-85.40
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300029249064	0	39	-2.0	-88.59	334.22	1.99	-86.60
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029249068	1	40	-2.0	-80.10	340.53	0.17	-79.93
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300029249074	0	39	-2.0	-93.50	337.53	3.55	-89.95
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)=N[N-]1	REAL300029249113	0	40	-2.0	-87.86	332.30	2.58	-85.28
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300029249117	0	44	-2.0	-96.69	359.53	1.71	-94.98
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300029249149	0	39	-2.0	-104.15	321.72	2.36	-101.79
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300029249187	0	39	-2.0	-87.39	342.80	0.20	-87.19
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300029249188	0	41	-2.0	-89.97	349.06	-5.69	-95.66
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300029249188	1	41	-2.0	-83.32	349.00	-5.64	-88.96
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300029249217	0	41	-2.0	-83.33	342.73	2.77	-80.56
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300029249261	0	38	-2.0	-89.39	320.68	-0.97	-90.36
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300029249299	0	41	-2.0	-84.70	350.65	-0.39	-85.09
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300029249345	0	40	-2.0	-88.12	336.14	3.12	-85.00
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300029249485	0	39	-2.0	-89.04	338.08	-0.12	-89.16
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300029249526	0	39	-2.0	-87.70	344.06	3.57	-84.13
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300029249555	1	39	-2.0	-93.13	327.04	1.79	-91.34
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300029249564	1	44	-2.0	-104.34	362.35	3.51	-100.83
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300029249568	0	41	-2.0	-89.48	349.70	3.69	-85.79
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300029249572	0	41	-2.0	-85.55	349.64	3.68	-81.87
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300029249583	1	39	-2.0	-92.68	338.27	3.54	-89.14
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300029249607	0	41	-2.0	-84.27	347.14	2.12	-82.15
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029249696	0	37	-2.0	-91.77	321.48	-4.72	-96.49
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029249696	1	37	-2.0	-82.38	317.27	-2.82	-85.20
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300029249736	0	41	-2.0	-93.67	340.71	0.50	-93.17
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300029249778	1	44	-2.0	-98.46	359.23	4.23	-94.23
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300029249779	0	35	-2.0	-85.54	319.62	-0.51	-86.05
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300029249799	1	39	-2.0	-92.46	331.10	-0.97	-93.43
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)[N-]C(=O)C(C#N)=C1	REAL300029249839	0	42	-2.0	-87.51	357.61	0.49	-87.02
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C([O-])=C1F	REAL300029249861	0	39	-2.0	-95.47	334.17	1.96	-93.51
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300029249929	0	39	-2.0	-86.16	340.71	2.10	-84.06
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029249935	1	40	-2.0	-85.96	339.05	0.96	-85.00
COC1=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)=CC(=O)[N-]1	REAL300029249942	0	41	-2.0	-85.59	337.83	-2.89	-88.48
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300029249944	0	41	-2.0	-90.36	347.60	0.44	-89.92
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300029249952	0	38	-2.0	-90.00	327.76	2.55	-87.45
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300029249959	1	42	-2.0	-93.29	363.83	3.30	-89.99
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300029250001	0	39	-2.0	-89.25	336.85	2.29	-86.96
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC=C1[O-]	REAL300029250012	0	38	-2.0	-92.73	316.38	1.15	-91.58
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029250019	0	35	-2.0	-88.65	298.31	-1.02	-89.67
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)S1	REAL300029250060	1	38	-2.0	-94.64	330.40	-0.26	-94.90
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300029250132	1	45	-2.0	-98.76	366.52	5.37	-93.39
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300029250141	1	45	-2.0	-100.50	367.67	5.28	-95.22
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300029250190	1	41	-2.0	-84.30	336.89	1.54	-82.76
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300029250222	0	38	-2.0	-96.55	337.93	-0.18	-96.73
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029250254	1	38	-2.0	-80.70	333.62	2.36	-78.34
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)[N-]1	REAL300029250283	1	41	-2.0	-92.96	359.05	0.20	-92.76
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300029250292	0	39	-2.0	-84.42	333.43	-2.47	-86.89
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)=CC1=O	REAL300029250381	0	42	-2.0	-86.06	343.68	1.27	-84.79
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CNC(=O)C1=NC=CC=C1[O-]	REAL300029250392	1	45	-2.0	-98.10	377.55	0.60	-97.50
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300029250402	0	39	-2.0	-85.55	321.91	0.34	-85.21
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300029250417	0	39	-2.0	-87.12	339.19	-1.83	-88.95
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC(=O)N[N-]1	REAL300029250583	1	39	-2.0	-91.05	327.19	-0.66	-91.71
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300029250590	1	39	-2.0	-89.69	327.02	1.82	-87.87
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300029250651	0	39	-2.0	-89.42	330.93	1.61	-87.81
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300029250656	0	38	-2.0	-90.97	332.68	1.61	-89.36
CC1=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)N(C)[N-]1	REAL300029250677	0	45	-2.0	-92.65	369.65	1.61	-91.04
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC(=O)C1=CC=C([O-])C=C1	REAL300029250686	1	47	-2.0	-89.10	389.64	3.56	-85.54
CC1=CN=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C([O-])=C1	REAL300029250727	1	41	-2.0	-95.02	332.98	2.68	-92.34
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CS1	REAL300029250765	0	36	-2.0	-92.01	309.25	0.38	-91.63
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300029250789	0	39	-2.0	-97.84	324.10	2.00	-95.84
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300029250797	0	39	-2.0	-87.68	344.00	3.61	-84.07
CC1CN(C(=O)C2=CN([O-])C(=O)NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029250845	0	39	-2.0	-89.16	338.06	-0.13	-89.29
CC1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029250885	1	40	-2.0	-81.02	345.40	0.25	-80.77
CC1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029251880	1	47	-2.0	-105.70	378.85	0.99	-104.71
CC1(NC(=O)CCCN2C(=O)[N-]NC2=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252471	0	48	-2.0	-104.09	391.14	-1.22	-105.31
CC1(NC(=O)CCC2=NNC(=O)[N-]C2=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252662	0	46	-2.0	-101.75	378.84	-3.95	-105.70
CC(=O)[N-]C1=NC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029252663	1	44	-2.0	-100.09	373.06	-0.44	-100.53
CC1(NC(=O)CCN2C=C[N-]C(=O)C2=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029252809	1	47	-2.0	-119.31	384.38	0.08	-119.23
COC1=C(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029252911	1	45	-2.0	-108.11	367.95	-3.03	-111.14
CC1(NC(=O)C2=NNC(=O)[N-]C2=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253020	0	40	-2.0	-107.95	334.50	-4.22	-112.17
CC1(NC(=O)CN2C(=O)[N-]NC2=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253123	0	42	-2.0	-108.58	348.62	-2.41	-110.99
CC1(NC(=O)C2=CN([O-])C(=O)C=C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029253913	0	42	-2.0	-117.04	345.57	2.07	-114.97
CC1(NC(=O)C2=CC(=O)NC([O-])=C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254068	0	42	-2.0	-101.45	345.83	-2.93	-104.38
CC1(NC(=O)C2=COC(=O)[N-]2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254080	1	38	-2.0	-103.89	317.89	-3.10	-106.99
CCN1[N-]C(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029254293	0	45	-2.0	-108.10	367.49	0.64	-107.46
CC1(NC(=O)CC2=CC(=O)N[N-]2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254301	1	42	-2.0	-109.05	343.40	-1.48	-110.53
CC1(NC(=O)C2=CC=CC(=S)N2[O-])CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254322	0	42	-2.0	-137.78	353.90	3.84	-133.94
CC1(NC(=O)CC2SC(=O)[N-]C2=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254336	0	42	-2.0	-96.54	356.74	-2.85	-99.39
CN1N=C(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029254352	0	41	-2.0	-111.26	340.26	-1.80	-113.06
CC1(NC(=O)C2=C[N-]N=CC2=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254466	0	40	-2.0	-96.44	326.95	0.06	-96.38
CC1(NC(=O)C2=CC=C3N=NN([O-])C3=C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254503	0	44	-2.0	-114.25	361.92	0.49	-113.76
CC1(NC(=O)C2=CC(=O)N[N-]2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254592	0	39	-2.0	-103.82	322.94	-2.01	-105.83
CC1(NC(=O)C(=O)[PH](C)(C)[O-])CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254596	0	44	-2.0	-99.48	356.92	-0.62	-100.10
CC1(NC(=O)C2=CC=CN([O-])C2=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254639	0	42	-2.0	-114.86	342.86	2.12	-112.74
CSC1=NC=C(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029254658	0	44	-2.0	-104.48	369.04	-0.07	-104.55
CSC1=NC=C(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029254658	1	44	-2.0	-104.48	369.04	-0.07	-104.55
CC1SC(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029254679	0	41	-2.0	-109.20	349.70	-1.90	-111.10
CC1=C([O-])N=C(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029254679	1	41	-2.0	-109.20	349.70	-1.90	-111.10
CC1(NC(=O)C2=CC(=O)C=C(Cl)N2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254698	0	41	-2.0	-100.20	353.09	1.28	-98.92
CC1(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254698	1	41	-2.0	-100.20	353.09	1.28	-98.92
CC1(NC(=O)C2=CC(=O)N([O-])C=C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254716	0	42	-2.0	-117.39	345.95	2.06	-115.33
CC1(NC(=O)C2=CC=CC(=O)N2[O-])CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254771	0	42	-2.0	-135.88	342.79	2.80	-133.08
CC1(NC(=O)C[N-]C(=O)C(F)(F)F)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254926	0	41	-2.0	-102.96	353.07	-2.12	-105.08
CC1(NC(=O)CC2=C([O-])N=C(N)S2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254927	0	43	-2.0	-112.97	364.08	-3.07	-116.04
CC1(NC(=O)CC2=NC([O-])=CS2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029254984	0	41	-2.0	-126.62	349.46	-2.10	-128.72
CCC1=NC=C(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029255005	1	46	-2.0	-103.80	367.79	0.39	-103.41
CC1(NC(=O)CN2N=CC(=O)[N-]C2=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255018	0	43	-2.0	-104.75	358.75	-3.62	-108.37
CC1(NC(=O)C2=C(Cl)C(=O)[N-]S2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255091	0	38	-2.0	-103.18	340.50	-0.69	-103.87
COCC1=NC=C(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029255187	0	47	-2.0	-104.93	380.72	-1.37	-106.30
COCC1=NC=C(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029255187	1	47	-2.0	-104.93	380.72	-1.37	-106.30
CC1=CC(=O)C(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029255282	0	43	-2.0	-109.66	351.48	1.56	-108.10
CC1(NC(=O)C2=NNC(=O)[N-]2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255298	0	38	-2.0	-107.87	317.43	-3.46	-111.33
CC1(NC(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255315	0	43	-2.0	-99.43	360.12	1.01	-98.42
CC1(NC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255315	1	43	-2.0	-99.43	360.12	1.01	-98.42
CC1(NC(=O)C2=CN=C(C=N[O-])S2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255439	0	41	-2.0	-110.24	358.08	-0.51	-110.75
CN1[N-]C(C(=O)NC2(C)CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029255660	0	42	-2.0	-107.31	345.47	-0.39	-107.70
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255671	0	42	-2.0	-103.40	359.72	-2.28	-105.68
CC1(NC(=O)C2=NC(=O)[N-]C(=O)N2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255864	0	40	-2.0	-104.44	336.07	-5.07	-109.51
CC1(NC(=O)C2=NC(=O)NC(=O)[N-]2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255864	1	40	-2.0	-100.51	336.72	-4.30	-104.81
CC1(NC(=O)COC2=NC(=O)[N-]C(=O)N2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255930	0	44	-2.0	-104.43	369.63	-6.10	-110.53
CC1(NC(=O)COC2=NC(=O)NC(=O)[N-]2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029255930	1	44	-2.0	-100.11	369.79	-5.95	-106.06
CC1(NC(=O)CN2[N-]C(=O)C=CC2=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029256065	0	44	-2.0	-113.58	364.51	-1.52	-115.10
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300029256320	1	41	-2.0	-130.20	337.48	1.49	-128.71
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1	REAL300029256445	1	47	-2.0	-118.35	387.48	0.38	-117.97
CC(=O)[N-]C1=NC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029256459	1	44	-2.0	-97.05	372.85	0.20	-96.85
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300029256494	0	40	-2.0	-116.40	335.54	-3.97	-120.37
COC1=C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029256551	1	45	-2.0	-103.54	377.44	-4.05	-107.59
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300029256738	0	42	-2.0	-115.97	351.51	-2.28	-118.25
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CCCN2C(=O)[N-]NC2=O)C1	REAL300029257839	0	48	-2.0	-99.01	395.54	-0.87	-99.88
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300029258072	1	47	-2.0	-112.15	387.83	0.88	-111.27
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CCC2=NNC(=O)[N-]C2=O)C1	REAL300029259026	0	46	-2.0	-107.68	381.73	-3.76	-111.44
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1	REAL300029259036	0	44	-2.0	-113.03	369.26	3.19	-109.84
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300029259050	1	42	-2.0	-127.43	359.51	2.21	-125.22
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300029259084	1	43	-2.0	-96.79	362.81	1.71	-95.08
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C1	REAL300029259116	0	44	-2.0	-132.60	372.38	0.29	-132.31
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1	REAL300029259182	0	44	-2.0	-141.23	366.19	3.95	-137.28
CCC1=NC=C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029259216	1	46	-2.0	-109.96	376.78	0.22	-109.74
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300029259241	1	38	-2.0	-97.36	317.52	-1.50	-98.86
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1	REAL300029259329	0	44	-2.0	-134.67	373.63	2.28	-132.39
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300029259347	0	41	-2.0	-106.32	355.96	-1.99	-108.31
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300029259348	0	43	-2.0	-120.04	367.14	-2.78	-122.82
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300029259359	0	42	-2.0	-102.23	359.61	1.63	-100.60
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300029259383	1	42	-2.0	-110.97	349.26	1.44	-109.53
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300029259392	0	41	-2.0	-103.28	345.07	0.82	-102.46
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300029259403	1	43	-2.0	-96.87	363.48	1.80	-95.07
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300029259409	0	41	-2.0	-121.24	352.19	1.11	-120.13
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C(N)[N-]C(=O)C(C#N)=C2)C1	REAL300029259416	0	44	-2.0	-98.01	373.96	-1.61	-99.62
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300029259435	0	43	-2.0	-127.31	361.85	-3.40	-130.71
CC1=CC=C([O-])C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029259528	1	44	-2.0	-131.46	359.09	2.07	-129.39
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300029259556	0	40	-2.0	-101.78	335.73	-0.11	-101.89
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300029259570	0	42	-2.0	-138.31	346.39	2.63	-135.68
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300029259705	1	42	-2.0	-130.54	346.69	1.39	-129.15
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1	REAL300029259792	0	44	-2.0	-97.92	369.27	3.17	-94.75
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300029259862	0	39	-2.0	-105.08	322.38	-1.60	-106.68
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300029259870	0	44	-2.0	-110.00	357.35	-0.20	-110.20
CN1[N-]C(CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029259875	0	45	-2.0	-123.76	369.29	0.54	-123.22
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C(=O)C=C([O-])C2=CC=CC=N2)C1	REAL300029259899	0	47	-2.0	-119.28	392.69	3.05	-116.23
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(N)=C(F)C([O-])=C2F)C1	REAL300029259932	0	44	-2.0	-129.65	370.66	-0.55	-130.20
COCC1=NC=C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029259940	1	47	-2.0	-110.83	389.71	-1.54	-112.37
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(F)=CC(F)=C2[O-])C1	REAL300029259970	0	42	-2.0	-126.12	356.48	1.87	-124.25
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300029260003	0	42	-2.0	-123.35	347.54	1.86	-121.49
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C1	REAL300029260037	0	42	-2.0	-118.37	362.81	1.60	-116.77
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300029260039	0	38	-2.0	-100.28	317.52	-2.20	-102.48
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300029260045	1	42	-2.0	-110.16	362.51	2.01	-108.15
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300029260054	0	42	-2.0	-120.17	352.03	2.06	-118.11
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300029260095	1	42	-2.0	-105.95	359.42	1.60	-104.35
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1	REAL300029260223	0	42	-2.0	-120.95	350.83	-2.83	-123.78
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300029260300	0	42	-2.0	-102.94	359.29	1.94	-101.00
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300029260307	1	42	-2.0	-126.22	349.20	1.76	-124.46
CC1=CC=NC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029260403	1	44	-2.0	-130.04	357.79	2.20	-127.84
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1	REAL300029260469	0	42	-2.0	-132.00	366.20	2.35	-129.65
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300029260598	1	41	-2.0	-115.54	337.23	-0.55	-116.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300029260611	0	42	-2.0	-105.62	356.92	2.82	-102.80
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C1	REAL300029260781	1	44	-2.0	-99.48	370.48	-0.19	-99.67
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300029260786	0	41	-2.0	-95.78	353.66	0.86	-94.92
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300029260856	1	42	-2.0	-107.51	358.11	1.87	-105.64
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1	REAL300029260859	0	45	-2.0	-122.91	377.58	0.09	-122.82
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300029260872	0	41	-2.0	-122.76	352.40	-1.91	-124.67
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300029260897	0	42	-2.0	-122.28	353.02	1.62	-120.66
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300029260900	0	44	-2.0	-115.76	367.63	-1.30	-117.06
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300029260903	0	42	-2.0	-131.22	349.02	1.82	-129.40
CC1=CC=C(F)C([O-])=C1C(=O)N1CCCC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029260953	0	45	-2.0	-111.91	372.44	2.19	-109.72
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300029261050	0	42	-2.0	-96.96	361.60	-2.50	-99.46
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300029261083	0	42	-2.0	-112.69	356.57	1.54	-111.15
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1	REAL300029261086	1	43	-2.0	-101.01	368.32	0.02	-100.99
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300029261092	0	42	-2.0	-131.33	356.19	3.09	-128.24
CC1=CC(=O)C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029261130	0	43	-2.0	-114.94	352.70	1.91	-113.03
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C1	REAL300029261136	0	47	-2.0	-129.53	383.16	1.77	-127.76
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300029261170	0	42	-2.0	-107.44	345.80	2.18	-105.26
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300029261217	0	42	-2.0	-103.06	361.73	-0.25	-103.31
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C1	REAL300029261218	0	44	-2.0	-105.63	372.73	-5.66	-111.29
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C1	REAL300029261218	1	44	-2.0	-104.30	372.59	-5.60	-109.90
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1	REAL300029261249	0	44	-2.0	-104.41	367.54	2.86	-101.55
CN1N=C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029261294	0	41	-2.0	-113.24	339.97	-1.41	-114.65
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C1	REAL300029261335	0	44	-2.0	-99.96	371.22	-0.80	-100.76
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300029261378	0	43	-2.0	-113.78	363.79	-0.31	-114.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300029261378	1	43	-2.0	-113.78	363.79	-0.31	-114.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300029261391	0	43	-2.0	-121.99	363.62	2.11	-119.88
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300029261531	0	42	-2.0	-105.51	351.84	-0.66	-106.17
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C1	REAL300029261571	0	42	-2.0	-121.61	366.39	2.34	-119.27
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300029261606	1	42	-2.0	-100.95	349.52	1.41	-99.54
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1	REAL300029261615	1	47	-2.0	-144.04	384.66	2.31	-141.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1	REAL300029261619	0	44	-2.0	-128.26	370.76	2.43	-125.83
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1	REAL300029261622	0	44	-2.0	-115.08	371.94	2.42	-112.66
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300029261636	1	42	-2.0	-130.93	359.34	2.28	-128.65
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1	REAL300029261658	0	44	-2.0	-97.83	370.10	1.98	-95.85
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300029261745	0	40	-2.0	-102.83	340.43	-5.29	-108.12
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300029261745	1	40	-2.0	-103.82	340.40	-4.53	-108.35
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1	REAL300029261781	0	44	-2.0	-127.18	363.74	0.36	-126.82
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300029261824	1	47	-2.0	-132.87	380.14	4.37	-128.50
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1	REAL300029261825	0	38	-2.0	-107.19	341.59	-0.87	-108.06
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300029261850	1	42	-2.0	-110.08	350.14	-1.44	-111.52
CC1=C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029261884	0	45	-2.0	-114.55	381.28	0.31	-114.24
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300029261910	0	42	-2.0	-127.98	356.53	1.53	-126.45
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300029261970	0	42	-2.0	-102.79	363.72	1.95	-100.84
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1	REAL300029261976	1	43	-2.0	-104.05	367.54	1.02	-103.03
COC1=NC(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029261982	0	44	-2.0	-113.01	365.40	-3.18	-116.19
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1	REAL300029261985	0	44	-2.0	-105.75	366.88	-0.00	-105.75
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300029261998	0	41	-2.0	-125.75	353.66	2.02	-123.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C1	REAL300029262004	1	45	-2.0	-120.25	383.41	2.92	-117.33
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300029262045	0	42	-2.0	-98.48	359.31	1.92	-96.56
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300029262056	0	41	-2.0	-129.32	337.21	0.33	-128.99
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029262066	0	38	-2.0	-107.05	317.69	-1.53	-108.58
CC1=C([O-])N=C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029262105	1	41	-2.0	-103.04	349.49	-0.80	-103.84
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1	REAL300029262160	1	48	-2.0	-116.96	392.10	3.80	-113.16
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1	REAL300029262180	1	48	-2.0	-137.23	388.85	4.19	-133.04
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1	REAL300029262188	1	48	-2.0	-141.59	388.75	4.44	-137.15
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300029262240	1	44	-2.0	-101.55	368.99	1.41	-100.14
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300029262278	0	41	-2.0	-113.69	358.10	-0.61	-114.30
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300029262314	1	41	-2.0	-104.70	354.91	1.81	-102.89
CSC1=NC=C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029262340	1	44	-2.0	-110.08	378.08	-0.28	-110.36
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300029262349	0	42	-2.0	-103.27	348.04	-3.02	-106.29
CCN1[N-]C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029262434	0	45	-2.0	-109.36	367.06	1.04	-108.32
CN1[N-]C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029262457	0	42	-2.0	-108.03	345.25	0.10	-107.93
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1	REAL300029262471	1	45	-2.0	-144.22	375.34	-1.11	-145.33
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300029262475	0	42	-2.0	-106.60	362.82	-1.94	-108.54
CC1=C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029262477	1	44	-2.0	-131.18	377.02	-0.74	-131.92
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1	REAL300029262550	1	47	-2.0	-109.35	386.55	1.87	-107.48
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300029262663	1	42	-2.0	-120.87	346.51	-1.20	-122.07
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300029262670	1	42	-2.0	-105.20	349.49	1.47	-103.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300029262735	0	42	-2.0	-106.57	354.26	1.49	-105.08
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300029262741	0	41	-2.0	-127.42	351.51	1.14	-126.28
CC1=C(CC(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029262762	0	48	-2.0	-127.63	389.37	1.20	-126.43
CC1=CN=C(C(=O)N2CCCC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029262813	1	44	-2.0	-132.27	358.91	2.14	-130.13
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1	REAL300029262829	0	43	-2.0	-119.45	373.41	-0.66	-120.11
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC([O-])=CS2)C1	REAL300029262851	0	39	-2.0	-119.42	332.19	0.25	-119.17
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300029262875	0	42	-2.0	-125.41	347.05	1.85	-123.56
CC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1	REAL300029262881	0	42	-2.0	-120.90	366.29	2.35	-118.55
CC1(NC(=O)C2=CN([O-])C(=O)NC2=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029262930	0	42	-2.0	-100.73	348.48	-0.31	-101.04
CC1(NC(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029262960	1	43	-2.0	-93.14	359.53	0.33	-92.81
O=C(CCCN1C(=O)[N-]NC1=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264081	0	45	-2.0	-107.69	386.08	-1.94	-109.63
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264288	0	43	-2.0	-103.23	373.78	-4.67	-107.90
CC(=O)[N-]C1=NC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029264289	1	41	-2.0	-90.80	368.02	-1.17	-91.97
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264440	1	44	-2.0	-107.47	379.78	-0.43	-107.90
COC1=C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029264546	1	42	-2.0	-99.75	362.94	-3.53	-103.28
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]C1=O	REAL300029264655	0	37	-2.0	-104.00	329.44	-4.80	-108.80
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029264771	0	39	-2.0	-108.95	343.76	-3.03	-111.98
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)C=C1	REAL300029265608	0	39	-2.0	-116.38	340.53	1.35	-115.03
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)NC([O-])=C1	REAL300029265767	0	39	-2.0	-95.36	340.98	-3.56	-98.92
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300029265779	1	35	-2.0	-92.62	313.07	-3.71	-96.33
O=C([N-][C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)(F)F	REAL300029265898	0	34	-2.0	-89.98	315.88	-0.45	-90.43
CCN1[N-]C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029266002	0	42	-2.0	-100.17	362.60	0.01	-100.16
O=C(CC1=CC(=O)N[N-]1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266010	1	39	-2.0	-111.86	338.75	-2.00	-113.86
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=S)N1[O-]	REAL300029266033	0	39	-2.0	-142.04	349.33	3.47	-138.57
O=C(CC1SC(=O)[N-]C1=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266047	0	39	-2.0	-97.93	352.14	-3.47	-101.40
CN1N=C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029266066	0	38	-2.0	-103.82	335.14	-2.52	-106.34
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300029266180	0	37	-2.0	-86.83	322.09	-0.57	-87.40
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C2N=NN([O-])C2=C1	REAL300029266219	0	41	-2.0	-115.76	357.08	-0.14	-115.90
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300029266317	0	36	-2.0	-96.35	317.89	-2.73	-99.08
C[PH](C)([O-])C(=O)C(=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266322	0	41	-2.0	-98.41	356.44	-1.41	-99.82
O=C(CCC1=NC(=O)NN1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266362	0	41	-2.0	-104.85	353.81	-3.06	-107.91
O=C(CCC1=NC(=O)[N-]N1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266362	1	41	-2.0	-104.85	353.81	-3.06	-107.91
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300029266370	0	39	-2.0	-100.83	338.47	1.58	-99.25
CSC1=NC=C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029266389	0	41	-2.0	-92.09	364.47	-0.57	-92.66
CSC1=NC=C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029266389	1	41	-2.0	-92.09	364.47	-0.57	-92.66
CC1SC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029266413	0	38	-2.0	-97.63	344.90	-2.53	-100.16
CC1=C([O-])N=C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029266413	1	38	-2.0	-97.63	344.90	-2.53	-100.16
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)N1	REAL300029266431	0	38	-2.0	-93.34	348.04	0.56	-92.78
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300029266431	1	38	-2.0	-93.34	348.04	0.56	-92.78
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300029266453	0	39	-2.0	-115.85	340.90	1.33	-114.52
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300029266512	0	39	-2.0	-137.92	338.22	2.43	-135.49
O=C(C[N-]C(=O)C(F)(F)F)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266680	0	38	-2.0	-98.16	348.02	-2.84	-101.00
NC1=NC([O-])=C(CC(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029266681	0	40	-2.0	-121.13	359.43	-3.58	-124.71
O=C(CC1=NC([O-])=CS1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029266740	0	38	-2.0	-123.63	344.60	-2.71	-126.34
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C(Cl)C(=O)[N-]S1	REAL300029266853	0	35	-2.0	-97.40	335.45	-1.42	-98.82
COCC1=NC=C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029266959	1	44	-2.0	-93.11	376.15	-1.85	-94.96
CC1=CC(=O)C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029267058	0	40	-2.0	-102.92	346.64	1.06	-101.86
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)N[N-]1	REAL300029267077	0	35	-2.0	-93.89	312.68	-3.92	-97.81
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029267102	1	40	-2.0	-94.65	355.08	0.30	-94.35
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C=N[O-])S1	REAL300029267237	0	38	-2.0	-107.62	353.27	-1.13	-108.75
COC1=NC(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029267257	0	41	-2.0	-101.28	358.78	-4.63	-105.91
CN1[N-]C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029267470	0	39	-2.0	-99.12	340.80	-0.93	-100.05
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267482	0	39	-2.0	-101.90	355.07	-2.80	-104.70
CC1=C(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029267483	1	41	-2.0	-113.98	367.84	-1.32	-115.30
O=C([N-][C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)F	REAL300029267616	1	34	-2.0	-90.46	310.95	-0.57	-91.03
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300029267696	0	37	-2.0	-94.36	331.01	-5.78	-100.14
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300029267696	1	37	-2.0	-101.88	331.88	-4.93	-106.81
O=C(COC1=NC(=O)[N-]C(=O)N1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267768	0	41	-2.0	-102.30	364.98	-6.49	-108.79
O=C(COC1=NC(=O)NC(=O)[N-]1)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267768	1	41	-2.0	-98.64	364.99	-6.44	-105.08
O=C(CN1[N-]C(=O)C=CC1=O)N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029267904	0	41	-2.0	-108.87	359.68	-2.15	-111.02
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029268162	1	38	-2.0	-117.59	332.63	0.88	-116.71
O=C(CCN1C=C[N-]C(=O)C1=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029268279	1	44	-2.0	-107.95	382.63	-0.25	-108.20
CC(=O)[N-]C1=NC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029268291	1	41	-2.0	-89.51	368.00	-0.42	-89.93
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029268322	0	37	-2.0	-105.04	330.69	-4.59	-109.63
COC1=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029268374	1	42	-2.0	-96.38	372.21	-4.70	-101.08
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029268540	0	39	-2.0	-107.55	346.67	-2.90	-110.45
O=C(CCCN1C(=O)[N-]NC1=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029269498	0	45	-2.0	-99.49	389.16	-1.67	-101.16
O=C(CCC1=NNC(=O)[N-]C1=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270528	0	43	-2.0	-101.11	376.89	-4.39	-105.50
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029270538	0	41	-2.0	-102.74	364.43	2.58	-100.16
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029270552	1	39	-2.0	-114.56	354.68	1.59	-112.97
N#CC1=CC([O-])=CC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029270583	1	40	-2.0	-91.11	359.34	1.11	-90.00
NC1=CC=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1Cl	REAL300029270608	0	41	-2.0	-121.22	366.54	-0.47	-121.69
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029270670	0	41	-2.0	-126.13	363.89	2.86	-123.27
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029270724	1	35	-2.0	-91.08	313.07	-2.12	-93.20
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300029270801	0	41	-2.0	-121.71	367.71	1.62	-120.09
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270819	0	38	-2.0	-98.27	351.11	-2.60	-100.87
NC1=NC([O-])=C(CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029270820	0	40	-2.0	-123.79	362.32	-3.40	-127.19
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300029270831	0	39	-2.0	-94.77	354.79	1.01	-93.76
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300029270852	1	39	-2.0	-106.80	341.71	0.76	-106.04
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300029270860	0	38	-2.0	-94.98	340.40	0.21	-94.77
N#CC1=CC=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300029270870	1	40	-2.0	-105.62	356.83	1.11	-104.51
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029270874	0	38	-2.0	-108.80	351.08	-0.41	-109.21
N#CC1=CC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C(N)[N-]C1=O	REAL300029270881	0	41	-2.0	-95.85	369.44	-2.18	-98.03
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029270898	0	40	-2.0	-114.34	357.04	-4.01	-118.35
CC1=CC=C([O-])C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029270980	1	41	-2.0	-107.78	351.66	2.00	-105.78
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300029271006	0	37	-2.0	-100.85	331.45	-0.71	-101.56
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029271019	0	39	-2.0	-118.56	345.25	1.16	-117.40
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029271141	1	39	-2.0	-117.36	345.53	0.85	-116.51
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029271220	0	41	-2.0	-93.72	364.42	2.55	-91.17
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029271285	0	36	-2.0	-95.77	317.67	-2.24	-98.01
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029271293	0	41	-2.0	-98.86	357.04	-1.27	-100.13
COCC1=NC=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029271357	0	44	-2.0	-103.27	380.03	-2.22	-105.49
COCC1=NC=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029271357	1	44	-2.0	-103.27	380.03	-2.22	-105.49
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300029271416	0	39	-2.0	-109.73	348.82	1.47	-108.26
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NNC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029271451	0	35	-2.0	-100.72	312.35	-3.71	-104.43
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=C(O)C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300029271456	0	39	-2.0	-110.65	357.73	1.39	-109.26
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300029271456	1	39	-2.0	-110.65	357.73	1.39	-109.26
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300029271464	0	39	-2.0	-128.81	347.77	1.43	-127.38
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=C(F)C=CC(O)=C2F)C1)C1=CC(=O)[N-]O1	REAL300029271498	0	39	-2.0	-105.47	354.56	0.98	-104.49
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029271498	1	39	-2.0	-105.47	354.56	0.98	-104.49
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(F)=CC=C2O)C1)C1=CC(=O)[N-]O1	REAL300029271688	0	39	-2.0	-113.62	344.36	1.14	-112.48
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029271688	1	39	-2.0	-113.62	344.36	1.14	-112.48
CC1=CC=NC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1O	REAL300029271778	0	41	-2.0	-107.35	350.39	2.10	-105.25
CC1=CC=NC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029271778	1	41	-2.0	-107.35	350.39	2.10	-105.25
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029271947	1	38	-2.0	-93.86	333.34	-1.03	-94.89
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300029271960	0	39	-2.0	-116.33	358.93	1.84	-114.49
NC1=CC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC([O-])=C1Cl	REAL300029272114	1	41	-2.0	-95.11	367.04	-0.78	-95.89
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=CC(=O)[N-]O1	REAL300029272119	0	38	-2.0	-89.55	348.89	0.24	-89.31
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300029272181	1	39	-2.0	-99.62	353.31	1.25	-98.37
N#CC1=CC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C([O-])C=C1N	REAL300029272184	0	42	-2.0	-112.36	369.03	0.22	-112.14
O=C(CC1=NC([O-])=CS1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272196	0	38	-2.0	-122.57	347.47	-2.54	-125.11
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=CC(=O)[N-]O1	REAL300029272217	0	39	-2.0	-111.89	348.24	1.01	-110.88
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272220	0	41	-2.0	-108.40	362.80	-1.91	-110.31
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029272222	0	39	-2.0	-117.93	344.37	1.11	-116.82
CC1=CC=C(F)C([O-])=C1C(=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272269	0	42	-2.0	-117.45	367.60	1.55	-115.90
O=C(CC1SC(=O)[N-]C1=O)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272357	0	39	-2.0	-90.07	355.04	-3.29	-93.36
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=CC(=O)[N-]O1	REAL300029272389	0	39	-2.0	-104.42	350.73	0.89	-103.53
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029272392	1	40	-2.0	-88.50	359.15	-0.72	-89.22
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029272398	0	39	-2.0	-112.99	355.05	1.65	-111.34
CC1=CC(=O)C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029272434	0	40	-2.0	-103.40	346.88	1.49	-101.91
O=C(C=C([O-])C1=CC=C(O)C=C1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272440	0	44	-2.0	-111.01	378.43	1.15	-109.86
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300029272470	0	39	-2.0	-115.15	347.82	1.21	-113.94
N#CC1=CC=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029272512	0	39	-2.0	-107.00	357.50	-0.84	-107.84
O=C(COC1=NC(=O)[N-]C(=O)N1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272513	0	41	-2.0	-100.22	367.84	-6.28	-106.50
O=C(COC1=NC(=O)NC(=O)[N-]1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029272513	1	41	-2.0	-96.95	367.83	-6.22	-103.17
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300029272542	0	41	-2.0	-96.66	363.48	2.21	-94.45
CN1N=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029272586	0	38	-2.0	-103.71	335.23	-2.06	-105.77
[N-]=[N+]=NC1=CC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC=C1[O-]	REAL300029272619	0	41	-2.0	-98.51	366.31	-1.41	-99.92
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C1=CC(=O)[N-]O1	REAL300029272661	0	40	-2.0	-113.05	358.93	-0.92	-113.97
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029272661	1	40	-2.0	-113.05	358.93	-0.92	-113.97
N#CC1=CC=C([O-])C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029272671	0	40	-2.0	-109.89	358.08	2.05	-107.84
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=CC(=O)[N-]O1	REAL300029272796	0	39	-2.0	-100.60	352.91	-1.16	-101.76
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029272861	1	39	-2.0	-96.30	344.67	0.79	-95.51
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029272872	0	41	-2.0	-114.52	366.12	1.71	-112.81
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029272875	0	41	-2.0	-103.19	366.17	1.73	-101.46
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029272888	1	39	-2.0	-117.72	354.69	1.56	-116.16
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029272909	0	41	-2.0	-91.03	366.63	1.40	-89.63
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300029272986	0	37	-2.0	-93.86	335.55	-5.15	-99.01
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029272986	1	37	-2.0	-93.86	335.55	-5.15	-99.01
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1)C1=CC(=O)[N-]O1	REAL300029273020	0	41	-2.0	-94.99	360.17	-0.24	-95.23
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=CC(=O)[N-]O1	REAL300029273061	0	35	-2.0	-98.26	336.83	-1.51	-99.77
CC1=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029273115	0	42	-2.0	-103.30	376.45	-0.31	-103.61
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029273195	0	40	-2.0	-96.09	362.80	0.39	-95.70
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029273195	1	40	-2.0	-96.09	362.80	0.39	-95.70
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1)C1=CC(=O)[N-]O1	REAL300029273203	0	41	-2.0	-109.82	362.41	-0.59	-110.41
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029273216	0	38	-2.0	-103.19	346.28	1.92	-101.27
O=C(CC1=CC=C(O)C(Cl)=C1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273222	0	42	-2.0	-111.57	378.66	2.29	-109.28
O=C(CC1=CC=C([O-])C(Cl)=C1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273222	1	42	-2.0	-111.57	378.66	2.29	-109.28
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300029273284	0	35	-2.0	-99.13	312.64	-2.25	-101.38
CC1SC(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029273318	0	38	-2.0	-96.72	344.47	-1.43	-98.15
CC1=C([O-])N=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029273318	1	38	-2.0	-96.72	344.47	-1.43	-98.15
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=C(O)C=CC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300029273366	0	45	-2.0	-111.71	387.20	3.16	-108.55
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300029273366	1	45	-2.0	-111.71	387.20	3.16	-108.55
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=C(O)C3=CC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029273385	0	45	-2.0	-123.65	384.02	3.57	-120.08
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029273385	1	45	-2.0	-123.65	384.02	3.57	-120.08
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC3=CC=CC=C3C=C2O)C1)C1=CC(=O)[N-]O1	REAL300029273393	0	45	-2.0	-126.50	385.09	3.48	-123.02
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029273393	1	45	-2.0	-126.50	385.09	3.48	-123.02
O=C(N[C@H]1C[C@H](F)CN(C(=O)C(=O)C2=CC=C(O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300029273440	0	41	-2.0	-102.56	364.42	0.75	-101.81
O=C(N[C@H]1C[C@H](F)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300029273440	1	41	-2.0	-102.56	364.42	0.75	-101.81
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=CC(=O)[N-]O1	REAL300029273474	0	38	-2.0	-107.33	354.16	-1.17	-108.50
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)C=C(Cl)N2)C1)C1=CC(=O)[N-]O1	REAL300029273507	0	38	-2.0	-93.89	350.08	1.18	-92.71
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029273507	1	38	-2.0	-93.89	350.08	1.18	-92.71
CSC1=NC=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029273532	0	41	-2.0	-103.38	368.23	-0.96	-104.34
CSC1=NC=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029273532	1	41	-2.0	-103.38	368.23	-0.96	-104.34
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029273539	0	39	-2.0	-94.59	348.92	-3.44	-98.03
CCN1[N-]C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029273619	0	42	-2.0	-99.85	362.24	0.40	-99.45
CN1[N-]C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029273641	0	39	-2.0	-98.83	340.44	-0.52	-99.35
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273658	0	39	-2.0	-100.10	357.97	-2.56	-102.66
CC1=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)NC(=O)N1	REAL300029273660	0	41	-2.0	-119.08	370.10	-1.29	-120.37
CC1=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029273660	1	41	-2.0	-119.08	370.10	-1.29	-120.37
O=C(CC1=CC(=O)NN1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273833	0	39	-2.0	-110.16	341.62	-1.81	-111.97
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029273833	1	39	-2.0	-110.16	341.62	-1.81	-111.97
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=C(O)C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029273839	0	39	-2.0	-98.67	344.67	0.83	-97.84
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029273839	1	39	-2.0	-98.67	344.67	0.83	-97.84
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029273900	0	39	-2.0	-108.61	349.05	0.85	-107.76
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029273906	0	38	-2.0	-115.26	349.06	-0.35	-115.61
CC1=C(CC(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029273926	0	45	-2.0	-109.26	384.42	0.60	-108.66
CC1=CN=C(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029273974	1	41	-2.0	-108.68	351.50	2.06	-106.62
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029273988	0	40	-2.0	-108.63	368.61	-1.28	-109.91
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300029274008	0	36	-2.0	-108.90	327.34	-0.38	-109.28
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300029274030	0	39	-2.0	-114.05	346.53	1.40	-112.65
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)NC1=O	REAL300029274082	0	39	-2.0	-95.18	343.72	-0.92	-96.10
O=C(N[C@H]1C[C@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029274116	1	40	-2.0	-85.55	354.82	-0.32	-85.87
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300029274636	1	45	-2.0	-89.63	391.03	-2.85	-92.48
O=C(CCCN1C(=O)[N-]NC1=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275302	0	46	-2.0	-100.52	403.00	-5.17	-105.69
O=C(CCC1=NNC(=O)[N-]C1=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275528	0	44	-2.0	-98.51	390.70	-7.90	-106.41
CC(=O)[N-]C1=NC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029275529	1	42	-2.0	-87.96	384.93	-4.39	-92.35
O=C(CCN1C=C[N-]C(=O)C1=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029275696	1	45	-2.0	-103.89	396.45	-3.75	-107.64
COC1=C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029275810	1	43	-2.0	-97.32	380.16	-6.72	-104.04
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]C1=O	REAL300029275931	0	38	-2.0	-98.36	346.37	-8.02	-106.38
O=C(CN1C(=O)[N-]NC1=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029276052	0	40	-2.0	-100.57	360.48	-6.37	-106.94
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)C=C1	REAL300029276941	0	40	-2.0	-111.80	357.44	-1.89	-113.69
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)NC([O-])=C1	REAL300029277110	0	40	-2.0	-91.94	357.91	-6.79	-98.73
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300029277123	1	36	-2.0	-90.79	329.98	-6.95	-97.74
O=C([N-]CCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)(F)F	REAL300029277247	1	35	-2.0	-83.77	336.08	-3.60	-87.37
CCN1[N-]C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029277357	0	43	-2.0	-95.68	379.36	-3.33	-99.01
O=C(CC1=CC(=O)N[N-]1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277365	1	40	-2.0	-104.23	355.48	-5.33	-109.56
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=S)N1[O-]	REAL300029277389	0	40	-2.0	-132.09	366.00	0.14	-131.95
O=C(CC1SC(=O)[N-]C1=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277404	0	40	-2.0	-93.25	368.59	-6.82	-100.07
CN1N=C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029277423	0	39	-2.0	-99.25	352.13	-5.76	-105.01
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300029277545	0	38	-2.0	-83.13	339.03	-3.80	-86.93
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C2N=NN([O-])C2=C1	REAL300029277585	0	42	-2.0	-109.85	374.00	-3.37	-113.22
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300029277686	0	37	-2.0	-92.16	334.81	-5.97	-98.13
C[PH](C)([O-])C(=O)C(=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277691	0	42	-2.0	-89.87	367.52	-4.62	-94.49
O=C(CCC1=NC(=O)NN1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277732	0	42	-2.0	-102.75	370.73	-6.29	-109.04
O=C(CCC1=NC(=O)[N-]N1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029277732	1	42	-2.0	-102.75	370.73	-6.29	-109.04
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300029277740	0	40	-2.0	-99.62	355.03	-1.74	-101.36
CSC1=NC=C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029277761	0	42	-2.0	-89.00	381.18	-3.93	-92.93
CSC1=NC=C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029277761	1	42	-2.0	-89.00	381.18	-3.93	-92.93
CC1SC(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029277786	0	39	-2.0	-96.87	361.35	-5.83	-102.70
CC1=C([O-])N=C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029277786	1	39	-2.0	-96.87	361.35	-5.83	-102.70
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)N1	REAL300029277807	0	39	-2.0	-89.06	364.96	-2.66	-91.72
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300029277807	1	39	-2.0	-89.06	364.96	-2.66	-91.72
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300029277829	0	40	-2.0	-111.91	357.82	-1.90	-113.81
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300029277889	0	40	-2.0	-127.84	354.89	-0.88	-128.72
O=C(C[N-]C(=O)C(F)(F)F)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278061	0	39	-2.0	-92.53	364.93	-6.08	-98.61
NC1=NC([O-])=C(CC(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029278062	0	41	-2.0	-113.29	376.14	-6.91	-120.20
O=C(CC1=NC([O-])=CS1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278125	0	39	-2.0	-116.05	361.32	-6.03	-122.08
CCC1=NC=C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029278151	1	44	-2.0	-88.34	379.94	-3.45	-91.79
O=C(CN1N=CC(=O)[N-]C1=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278163	0	41	-2.0	-106.04	370.82	-7.48	-113.52
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C(Cl)C(=O)[N-]S1	REAL300029278245	0	36	-2.0	-93.89	352.37	-4.67	-98.56
COCC1=NC=C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029278356	0	45	-2.0	-89.45	392.87	-5.20	-94.65
COCC1=NC=C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029278356	1	45	-2.0	-89.45	392.87	-5.20	-94.65
CC1=CC(=O)C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029278461	0	41	-2.0	-96.02	363.53	-2.16	-98.18
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)N[N-]1	REAL300029278480	0	36	-2.0	-91.34	329.41	-7.25	-98.59
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029278505	0	41	-2.0	-92.35	371.99	-2.94	-95.29
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029278505	1	41	-2.0	-92.35	371.99	-2.94	-95.29
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C=N[O-])S1	REAL300029278646	0	39	-2.0	-105.47	370.19	-4.37	-109.84
CN1[N-]C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029278890	0	40	-2.0	-94.90	357.62	-4.26	-99.16
O=C(CSC1=NNC(=O)[N-]1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029278902	0	40	-2.0	-98.23	371.79	-6.13	-104.36
CC1=C(C(=O)NCCC2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029278903	1	42	-2.0	-105.82	385.23	-4.84	-110.66
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300029279122	0	38	-2.0	-94.32	347.93	-9.02	-103.34
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300029279122	1	38	-2.0	-88.89	348.58	-8.27	-97.16
O=C(COC1=NC(=O)[N-]C(=O)N1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029279195	0	42	-2.0	-99.40	381.70	-9.81	-109.21
O=C(COC1=NC(=O)NC(=O)[N-]1)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029279195	1	42	-2.0	-94.09	381.64	-9.77	-103.86
O=C(CN1[N-]C(=O)C=CC1=O)NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029279338	0	42	-2.0	-101.27	376.59	-5.38	-106.65
O=C(NCCC1(O)CN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029279595	1	39	-2.0	-105.06	346.21	-2.20	-107.26
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029279718	1	45	-2.0	-101.44	398.48	-3.64	-105.08
CC(=O)[N-]C1=NC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029279730	1	42	-2.0	-89.73	384.24	-4.16	-93.89
O=C(NCCC1(O)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029279764	0	38	-2.0	-96.78	345.81	-7.86	-104.64
COC1=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029279819	1	43	-2.0	-97.00	378.44	-6.69	-103.69
O=C(CN1C(=O)[N-]NC1=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029279996	0	40	-2.0	-97.56	362.51	-6.26	-103.82
O=C(CCCN1C(=O)[N-]NC1=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029281023	0	46	-2.0	-95.80	404.78	-5.04	-100.84
O=C(NCCC1(O)CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029281241	1	45	-2.0	-104.78	398.78	-3.09	-107.87
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282131	0	44	-2.0	-94.27	392.42	-7.82	-102.09
O=C(NCCC1(O)CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029282141	0	42	-2.0	-96.41	375.54	-0.96	-97.37
O=C(NCCC1(O)CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029282155	1	40	-2.0	-103.12	366.29	-0.68	-103.80
N#CC1=CC([O-])=CC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029282187	1	41	-2.0	-90.64	370.25	-2.44	-93.08
NC1=CC=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1Cl	REAL300029282214	0	42	-2.0	-108.40	378.02	-2.71	-111.11
O=C(NCCC1(O)CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029282278	0	42	-2.0	-110.84	375.70	0.11	-110.73
CCC1=NC=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029282311	1	44	-2.0	-98.47	388.24	-3.72	-102.19
O=C(NCCC1(O)CN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029282336	1	36	-2.0	-93.37	329.70	-6.37	-99.74
O=C(NCCC1(O)CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300029282418	0	42	-2.0	-110.32	378.73	-1.20	-111.52
O=C(C[N-]C(=O)C(F)(F)F)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282436	0	39	-2.0	-91.97	366.66	-6.00	-97.97
NC1=NC([O-])=C(CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029282437	0	41	-2.0	-109.32	378.16	-6.80	-116.12
O=C(NCCC1(O)CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300029282448	0	40	-2.0	-91.01	370.08	-2.38	-93.39
O=C(NCCC1(O)CN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300029282471	1	40	-2.0	-95.98	356.35	-2.65	-98.63
O=C(NCCC1(O)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300029282480	0	39	-2.0	-93.14	354.33	-3.30	-96.44
N#CC1=CC=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300029282491	1	41	-2.0	-93.43	369.75	-2.35	-95.78
O=C(NCCC1(O)CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029282495	0	39	-2.0	-98.92	359.40	-2.52	-101.44
N#CC1=CC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=C(N)[N-]C1=O	REAL300029282502	0	42	-2.0	-91.97	385.40	-5.46	-97.43
O=C(CN1N=CC(=O)[N-]C1=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282519	0	41	-2.0	-100.32	372.87	-7.38	-107.70
CC1=CC=C([O-])C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029282609	1	42	-2.0	-106.34	367.61	-1.67	-108.01
O=C(CCC1=NC(=O)[N-]N1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282612	1	42	-2.0	-101.57	372.47	-6.20	-107.77
O=C(NCCC1(O)CN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300029282635	0	38	-2.0	-95.03	337.83	-3.08	-98.11
O=C(NCCC1(O)CN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029282649	0	40	-2.0	-111.36	355.78	-1.14	-112.50
O=C(NCCC1(O)CN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029282776	1	40	-2.0	-107.79	356.06	-2.66	-110.45
O=C(NCCC1(O)CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029282857	0	42	-2.0	-100.35	375.57	-0.99	-101.34
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029282923	0	37	-2.0	-92.46	334.53	-5.81	-98.27
C[PH](C)([O-])C(=O)C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029282931	0	42	-2.0	-92.27	367.35	-4.65	-96.92
CN1[N-]C(CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029282936	0	43	-2.0	-101.69	380.27	-3.49	-105.18
NC1=CC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=C(F)C([O-])=C1F	REAL300029282991	0	42	-2.0	-108.76	376.36	-4.70	-113.46
COCC1=NC=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029282999	1	45	-2.0	-99.03	401.17	-5.48	-104.51
O=C(NCCC1(O)CN(C(=O)C2=CC(F)=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029283029	0	40	-2.0	-102.83	362.19	-1.09	-103.92
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300029283060	0	40	-2.0	-108.14	355.56	-2.23	-110.37
O=C(NCCC1(O)CN(C(=O)C2=NC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029283095	0	36	-2.0	-93.81	329.43	-6.92	-100.73
O=C(NCCC1(O)CN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300029283100	1	40	-2.0	-99.16	373.04	-1.99	-101.15
O=C(NCCC1(O)CN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300029283108	0	40	-2.0	-112.85	363.46	-1.94	-114.79
O=C(NCCC1(O)CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029283146	1	40	-2.0	-96.85	369.92	-2.40	-99.25
NC1=CC(=O)[N-]C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029283269	0	40	-2.0	-101.16	358.48	-6.33	-107.49
O=C(NCCC1(O)CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1)C1=CC(=O)[N-]O1	REAL300029283339	0	40	-2.0	-93.82	365.57	-2.21	-96.03
O=C(NCCC1(O)CN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029283346	1	40	-2.0	-102.57	355.97	-1.12	-103.69
CC1=CC=NC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029283440	1	42	-2.0	-105.45	366.32	-1.57	-107.02
O=C(NCCC1(O)CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029283499	0	40	-2.0	-106.97	371.87	-0.63	-107.60
O=C(NCCC1(O)CN(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029283620	1	39	-2.0	-93.63	343.88	-4.57	-98.20
O=C(NCCC1(O)CN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300029283633	0	40	-2.0	-126.37	363.87	-0.16	-126.53
NC1=CC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=CC([O-])=C1Cl	REAL300029283794	1	42	-2.0	-102.08	378.29	-4.30	-106.38
O=C(NCCC1(O)CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=CC(=O)[N-]O1	REAL300029283799	0	39	-2.0	-89.55	364.30	-3.46	-93.01
O=C(NCCC1(O)CN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300029283864	1	40	-2.0	-94.44	364.52	-2.21	-96.65
N#CC1=CC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=C([O-])C=C1N	REAL300029283867	0	43	-2.0	-101.62	383.28	-2.92	-104.54
O=C(CC1=NC([O-])=CS1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283879	0	39	-2.0	-110.66	363.06	-5.95	-116.61
O=C(NCCC1(O)CN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=CC(=O)[N-]O1	REAL300029283901	0	40	-2.0	-103.25	363.55	-2.37	-105.62
O=C(CN1[N-]C(=O)C=CC1=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283904	0	42	-2.0	-98.70	378.63	-5.26	-103.96
O=C(NCCC1(O)CN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029283906	0	40	-2.0	-104.83	356.09	-1.12	-105.95
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029283954	0	43	-2.0	-104.04	382.69	-1.85	-105.89
O=C(CC1SC(=O)[N-]C1=O)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284044	0	40	-2.0	-90.42	370.89	-6.70	-97.12
O=C(NCCC1(O)CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=CC(=O)[N-]O1	REAL300029284077	0	40	-2.0	-97.98	362.24	-2.59	-100.57
O=C(NCCC1(O)CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029284080	1	41	-2.0	-89.45	379.83	-4.01	-93.46
O=C(NCCC1(O)CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029284086	0	40	-2.0	-105.98	365.58	-0.68	-106.66
CC1=CC(=O)C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029284122	0	41	-2.0	-97.21	362.75	-2.05	-99.26
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284128	0	45	-2.0	-108.26	394.94	-2.20	-110.46
O=C(NCCC1(O)CN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300029284160	0	40	-2.0	-124.00	352.76	-1.20	-125.20
N#CC1=CC=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029284206	0	40	-2.0	-98.99	372.87	-4.25	-103.24
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284207	0	42	-2.0	-96.52	383.73	-9.67	-106.19
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284207	1	42	-2.0	-91.26	383.38	-9.64	-100.90
O=C(NCCC1(O)CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300029284237	0	42	-2.0	-91.36	379.53	-1.04	-92.40
CN1N=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029284281	0	39	-2.0	-98.92	351.93	-5.59	-104.51
[N-]=[N+]=NC1=CC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=CC=C1[O-]	REAL300029284316	0	42	-2.0	-90.58	377.34	-4.94	-95.52
O=C(NCCC1(O)CN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C1=CC(=O)[N-]O1	REAL300029284359	0	41	-2.0	-101.27	374.29	-4.30	-105.57
O=C(NCCC1(O)CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029284359	1	41	-2.0	-101.27	374.29	-4.30	-105.57
N#CC1=CC=C([O-])C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029284370	0	41	-2.0	-99.66	370.39	-0.80	-100.46
O=C(NCCC1(O)CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=CC(=O)[N-]O1	REAL300029284502	0	40	-2.0	-97.29	359.01	-3.50	-100.79
O=C(NCCC1(O)CN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029284539	0	40	-2.0	-99.32	372.12	-0.65	-99.97
O=C(NCCC1(O)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029284571	1	40	-2.0	-103.97	355.81	-2.73	-106.70
O=C(NCCC1(O)CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029284580	1	45	-2.0	-117.32	390.32	-0.72	-118.04
O=C(NCCC1(O)CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029284583	0	42	-2.0	-101.43	377.86	-0.52	-101.95
O=C(NCCC1(O)CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029284586	0	42	-2.0	-95.52	377.73	-0.54	-96.06
O=C(NCCC1(O)CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029284599	1	40	-2.0	-104.74	366.42	-0.67	-105.41
O=C(NCCC1(O)CN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029284620	0	42	-2.0	-90.00	377.61	-2.16	-92.16
O=C(NCCC1(O)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300029284703	0	38	-2.0	-95.65	347.48	-8.64	-104.29
O=C(NCCC1(O)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029284703	1	38	-2.0	-89.69	347.95	-7.77	-97.46
O=C(NCCC1(O)CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1)C1=CC(=O)[N-]O1	REAL300029284737	0	42	-2.0	-98.39	371.82	-3.74	-102.13
O=C(NCCC1(O)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1)C1=CC(=O)[N-]O1	REAL300029284780	1	45	-2.0	-109.93	391.42	0.12	-109.81
O=C(NCCC1(O)CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=CC(=O)[N-]O1	REAL300029284781	0	36	-2.0	-93.52	350.33	-4.80	-98.32
NC1=NC=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029284805	1	40	-2.0	-98.90	361.61	-5.39	-104.29
CC1=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029284837	0	43	-2.0	-90.19	384.15	-2.83	-93.02
O=C(NCCC1(O)CN(C(=O)C2=CC=C(F)C([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029284859	0	40	-2.0	-107.15	362.21	-2.61	-109.76
O=C(NCCC1(O)CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1)C1=CC(=O)[N-]O1	REAL300029284918	0	40	-2.0	-93.46	371.78	-2.13	-95.59
O=C(NCCC1(O)CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029284924	1	41	-2.0	-91.66	369.00	-3.26	-94.92
COC1=NC(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029284930	0	42	-2.0	-96.38	373.82	-7.62	-104.00
O=C(NCCC1(O)CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1)C1=CC(=O)[N-]O1	REAL300029284933	0	42	-2.0	-96.42	378.12	-3.98	-100.40
O=C(NCCC1(O)CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029284946	0	39	-2.0	-100.98	362.41	-1.69	-102.67
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029284952	1	43	-2.0	-100.62	394.49	-1.10	-101.72
O=C(NCCC1(O)CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029284993	0	40	-2.0	-100.10	365.61	-2.24	-102.34
O=C(NCCC1(O)CN(C(=O)C2=CC=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029285004	0	39	-2.0	-104.55	342.72	-2.94	-107.49
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300029285014	0	36	-2.0	-96.55	329.55	-5.48	-102.03
CC1=C([O-])N=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029285049	1	39	-2.0	-100.23	360.99	-5.47	-105.70
O=C(NCCC1(O)CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300029285100	1	46	-2.0	-106.43	402.49	-0.23	-106.66
O=C(NCCC1(O)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029285120	1	46	-2.0	-110.71	394.60	1.13	-109.58
O=C(NCCC1(O)CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029285128	1	46	-2.0	-114.21	395.62	1.09	-113.12
O=C(NCCC1(O)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300029285180	1	42	-2.0	-93.42	371.65	-2.58	-96.00
O=C(NCCC1(O)CN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=CC(=O)[N-]O1	REAL300029285217	0	39	-2.0	-104.17	368.17	-4.59	-108.76
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029285252	1	39	-2.0	-89.16	364.01	-2.44	-91.60
CSC1=NC=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029285278	1	42	-2.0	-99.23	389.55	-4.23	-103.46
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029285286	0	40	-2.0	-91.65	355.69	-7.14	-98.79
CCN1[N-]C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029285367	0	43	-2.0	-96.04	378.89	-3.20	-99.24
CN1[N-]C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029285389	0	40	-2.0	-94.94	357.35	-4.10	-99.04
O=C(CSC1=NNC(=O)[N-]1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285406	0	40	-2.0	-94.68	373.82	-6.01	-100.69
CC1=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029285408	1	42	-2.0	-110.50	386.20	-4.41	-114.91
O=C(NCCC1(O)CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300029285479	1	45	-2.0	-101.09	397.12	-2.13	-103.22
O=C(CC1=CC(=O)N[N-]1)N1CC(O)(CCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029285585	1	40	-2.0	-99.30	357.51	-5.21	-104.51
O=C(NCCC1(O)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029285591	1	40	-2.0	-97.59	355.77	-2.69	-100.28
O=C(NCCC1(O)CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029285653	0	40	-2.0	-96.45	361.99	-2.63	-99.08
O=C(NCCC1(O)CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029285659	0	39	-2.0	-102.89	358.72	-2.52	-105.41
CC1=C(CC(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029285680	0	46	-2.0	-103.00	400.37	-2.82	-105.82
CC1=CN=C(C(=O)N2CC(O)(CCNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029285730	1	42	-2.0	-107.00	367.45	-1.62	-108.62
O=C(NCCC1(O)CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029285745	0	41	-2.0	-103.84	384.00	-4.68	-108.52
O=C(NCCC1(O)CN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300029285766	0	37	-2.0	-102.21	341.60	-3.71	-105.92
O=C(NCCC1(O)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300029285788	0	40	-2.0	-107.34	355.14	-2.23	-109.57
O=C(NCCC1(O)CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029285794	0	40	-2.0	-98.98	371.99	-0.61	-99.59
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)NC1=O	REAL300029285846	0	40	-2.0	-92.30	360.28	-4.27	-96.57
O=C(NCCC1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029285881	1	41	-2.0	-81.78	371.33	-3.63	-85.41
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300029286405	1	45	-2.0	-85.87	375.59	-0.45	-86.32
O=C(CCCN1C(=O)[N-]NC1=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287071	0	46	-2.0	-113.10	386.29	-3.38	-116.48
O=C(CCC1=NNC(=O)[N-]C1=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287297	0	44	-2.0	-105.15	375.20	-6.03	-111.18
CC(=O)[N-]C1=NC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029287298	1	42	-2.0	-99.05	369.41	-2.52	-101.57
O=C(CCN1C=C[N-]C(=O)C1=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287465	1	45	-2.0	-118.10	380.94	-1.89	-119.99
COC1=C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029287579	1	43	-2.0	-88.10	363.14	-4.38	-92.48
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]C1=O	REAL300029287700	0	38	-2.0	-88.08	329.59	-5.68	-93.76
O=C(CN1C(=O)[N-]NC1=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029287821	0	40	-2.0	-118.51	343.77	-4.59	-123.10
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)C=C1	REAL300029288710	0	40	-2.0	-120.53	340.73	-0.09	-120.62
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)NC([O-])=C1	REAL300029288879	0	40	-2.0	-102.08	341.20	-4.99	-107.07
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300029288892	1	36	-2.0	-84.78	313.19	-4.60	-89.38
O=C([N-]C1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)(F)F	REAL300029289016	0	35	-2.0	-97.64	316.00	-1.88	-99.52
CCN1[N-]C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029289126	0	43	-2.0	-86.95	362.57	-0.98	-87.93
O=C(CC1=CC(=O)N[N-]1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289134	1	40	-2.0	-115.59	338.81	-3.54	-119.13
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=S)N1[O-]	REAL300029289158	0	40	-2.0	-145.64	349.30	1.93	-143.71
O=C(CC1SC(=O)[N-]C1=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289173	0	40	-2.0	-106.73	353.08	-4.95	-111.68
CN1N=C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029289192	0	39	-2.0	-110.60	336.55	-3.89	-114.49
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300029289314	0	38	-2.0	-97.21	322.33	-2.01	-99.22
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C2N=NN([O-])C2=C1	REAL300029289354	0	42	-2.0	-117.27	358.55	-1.50	-118.77
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300029289455	0	37	-2.0	-83.60	318.02	-3.61	-87.21
C[PH](C)([O-])C(=O)C(=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289460	0	42	-2.0	-83.38	357.88	-2.24	-85.62
O=C(CCC1=NC(=O)NN1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289501	0	42	-2.0	-109.23	355.23	-4.43	-113.66
O=C(CCC1=NC(=O)[N-]N1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289501	1	42	-2.0	-109.23	355.23	-4.43	-113.66
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300029289509	0	40	-2.0	-98.04	339.59	0.68	-97.36
CSC1=NC=C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029289530	0	42	-2.0	-105.54	364.15	-2.11	-107.65
CSC1=NC=C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029289530	1	42	-2.0	-105.54	364.15	-2.11	-107.65
CC1SC(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029289555	0	39	-2.0	-106.42	345.84	-3.98	-110.40
CC1=C([O-])N=C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029289555	1	39	-2.0	-106.42	345.84	-3.98	-110.40
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)N1	REAL300029289576	0	39	-2.0	-100.03	349.45	-0.81	-100.84
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300029289576	1	39	-2.0	-100.03	349.45	-0.81	-100.84
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300029289598	0	40	-2.0	-120.04	341.10	-0.10	-120.14
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300029289658	0	40	-2.0	-143.13	338.18	0.89	-142.24
NC1=NC([O-])=C(CC(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029289831	0	41	-2.0	-136.46	360.68	-5.05	-141.51
O=C(CC1=NC([O-])=CS1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289894	0	39	-2.0	-119.84	344.66	-4.25	-124.09
CCC1=NC=C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029289920	1	44	-2.0	-105.11	362.90	-1.63	-106.74
O=C(CN1N=CC(=O)[N-]C1=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029289932	0	41	-2.0	-111.52	354.12	-5.68	-117.20
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C(Cl)C(=O)[N-]S1	REAL300029290014	0	36	-2.0	-104.08	335.67	-2.88	-106.96
COCC1=NC=C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029290125	0	45	-2.0	-106.01	375.83	-3.40	-109.41
COCC1=NC=C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029290125	1	45	-2.0	-106.01	375.83	-3.40	-109.41
CC1=CC(=O)C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029290230	0	41	-2.0	-87.79	346.75	0.19	-87.60
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)N[N-]1	REAL300029290249	0	36	-2.0	-102.18	313.90	-5.39	-107.57
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029290274	0	41	-2.0	-99.30	356.50	-1.08	-100.38
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029290274	1	41	-2.0	-99.30	356.50	-1.08	-100.38
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C=N[O-])S1	REAL300029290415	0	39	-2.0	-111.15	353.48	-2.59	-113.74
CN1[N-]C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029290659	0	40	-2.0	-86.14	340.76	-1.90	-88.04
O=C(CSC1=NNC(=O)[N-]1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290671	0	40	-2.0	-104.91	356.29	-4.27	-109.18
CC1=C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)NC(=O)N1	REAL300029290672	0	42	-2.0	-138.27	368.54	-3.03	-141.30
CC1=C(C(=O)NC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029290672	1	42	-2.0	-138.27	368.54	-3.03	-141.30
O=C([N-]C1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)F	REAL300029290809	1	35	-2.0	-98.62	311.00	-2.02	-100.64
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300029290891	0	38	-2.0	-86.94	331.15	-6.66	-93.60
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300029290891	1	38	-2.0	-98.95	333.07	-6.39	-105.34
O=C(COC1=NC(=O)[N-]C(=O)N1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290964	0	42	-2.0	-105.10	366.20	-7.96	-113.06
O=C(COC1=NC(=O)NC(=O)[N-]1)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029290964	1	42	-2.0	-102.04	366.14	-7.90	-109.94
O=C(CN1[N-]C(=O)C=CC1=O)NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029291107	0	42	-2.0	-113.36	361.07	-3.52	-116.88
O=C(NC1COCCN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029291364	1	39	-2.0	-103.35	330.10	0.17	-103.18
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029291487	1	45	-2.0	-105.78	384.38	-1.68	-107.46
CC(=O)[N-]C1=NC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029291499	1	42	-2.0	-79.67	367.62	-0.94	-80.61
O=C(NC1COCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029291533	0	38	-2.0	-90.09	328.92	-5.12	-95.21
COC1=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029291588	1	43	-2.0	-86.76	371.46	-5.46	-92.22
O=C(CN1C(=O)[N-]NC1=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029291765	0	40	-2.0	-92.73	346.73	-3.91	-96.64
O=C(CCCN1C(=O)[N-]NC1=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029292792	0	46	-2.0	-101.17	390.92	-3.11	-104.28
O=C(NC1COCCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029293010	1	45	-2.0	-96.00	385.61	-0.67	-96.67
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029293900	0	44	-2.0	-90.05	376.96	-5.40	-95.45
O=C(NC1COCCN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029293910	0	42	-2.0	-88.79	358.75	1.43	-87.36
O=C(NC1COCCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029293924	1	40	-2.0	-93.39	350.10	0.54	-92.85
N#CC1=CC([O-])=CC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029293956	1	41	-2.0	-81.56	353.56	-0.04	-81.60
NC1=CC=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1Cl	REAL300029293983	0	42	-2.0	-89.77	369.24	-1.54	-91.31
O=C(NC1COCCN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029294047	0	42	-2.0	-98.24	362.60	1.48	-96.76
CCC1=NC=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029294080	1	44	-2.0	-93.04	371.40	-1.51	-94.55
O=C(NC1COCCN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029294105	1	36	-2.0	-82.49	312.69	-2.51	-85.00
O=C(NC1COCCN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300029294187	0	42	-2.0	-96.28	367.14	0.46	-95.82
O=C(C[N-]C(=O)C(F)(F)F)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294205	0	39	-2.0	-84.15	351.19	-3.62	-87.77
NC1=NC([O-])=C(CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029294206	0	41	-2.0	-120.55	364.05	-4.87	-125.42
O=C(NC1COCCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300029294217	0	40	-2.0	-82.50	351.25	-0.16	-82.66
O=C(NC1COCCN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300029294240	1	40	-2.0	-87.85	347.18	-0.12	-87.97
O=C(NC1COCCN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300029294249	0	39	-2.0	-84.45	337.71	-0.85	-85.30
N#CC1=CC=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300029294260	1	41	-2.0	-109.83	355.16	-0.49	-110.32
O=C(NC1COCCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029294264	0	39	-2.0	-86.89	348.51	-1.62	-88.51
N#CC1=CC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=C(N)[N-]C1=O	REAL300029294271	0	42	-2.0	-94.17	371.41	-3.60	-97.77
O=C(CN1N=CC(=O)[N-]C1=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294288	0	41	-2.0	-111.00	358.75	-5.50	-116.50
CC1=CC=C([O-])C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029294378	1	42	-2.0	-103.40	346.63	0.83	-102.57
O=C(NC1COCCN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300029294404	0	38	-2.0	-84.47	332.25	-1.73	-86.20
O=C(NC1COCCN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029294418	0	40	-2.0	-101.69	339.46	0.16	-101.53
O=C(NC1COCCN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029294545	1	40	-2.0	-98.02	339.77	-0.32	-98.34
O=C(NC1COCCN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029294626	0	42	-2.0	-112.57	360.91	0.87	-111.70
O=C(NC1COCCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029294692	0	37	-2.0	-83.66	318.81	-3.07	-86.73
C[PH](C)([O-])C(=O)C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029294700	0	42	-2.0	-94.61	352.07	-2.71	-97.32
COCC1=NC=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029294768	0	45	-2.0	-93.25	384.33	-3.27	-96.52
COCC1=NC=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029294768	1	45	-2.0	-93.25	384.33	-3.27	-96.52
O=C(NC1COCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300029294829	0	40	-2.0	-108.82	342.31	-0.32	-109.14
O=C(NC1COCCN(C(=O)C2=NC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029294864	0	36	-2.0	-100.88	313.68	-4.11	-104.99
O=C(NC1COCCN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300029294869	1	40	-2.0	-91.49	351.97	0.14	-91.35
O=C(NC1COCCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300029294877	0	40	-2.0	-110.62	346.51	0.32	-110.30
O=C(NC1COCCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029294915	1	40	-2.0	-90.06	351.12	-0.20	-90.26
NC1=CC(=O)[N-]C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029295038	0	40	-2.0	-101.24	340.55	-3.62	-104.86
O=C(NC1COCCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1)C1=CC(=O)[N-]O1	REAL300029295108	0	40	-2.0	-101.65	350.94	-0.35	-102.00
O=C(NC1COCCN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029295115	1	40	-2.0	-92.79	339.64	0.16	-92.63
CC1=CC=NC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029295209	1	42	-2.0	-103.30	350.38	0.87	-102.43
O=C(NC1COCCN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029295268	0	40	-2.0	-93.78	359.10	0.27	-93.51
O=C(NC1COCCN(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029295389	1	39	-2.0	-99.34	329.83	-2.79	-102.13
O=C(NC1COCCN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300029295402	0	40	-2.0	-108.27	353.69	0.13	-108.14
NC1=CC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=CC([O-])=C1Cl	REAL300029295563	1	42	-2.0	-85.84	361.40	-1.94	-87.78
O=C(NC1COCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=CC(=O)[N-]O1	REAL300029295568	0	39	-2.0	-80.47	347.62	-0.24	-80.71
O=C(NC1COCCN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300029295633	1	40	-2.0	-86.68	356.08	0.28	-86.40
N#CC1=CC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=C([O-])C=C1N	REAL300029295636	0	43	-2.0	-91.94	366.90	-1.53	-93.47
O=C(CC1=NC([O-])=CS1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295648	0	39	-2.0	-106.84	347.58	-3.54	-110.38
O=C(NC1COCCN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=CC(=O)[N-]O1	REAL300029295670	0	40	-2.0	-92.35	344.76	-0.17	-92.52
O=C(CN1[N-]C(=O)C=CC1=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295673	0	42	-2.0	-104.02	364.52	-3.40	-107.42
O=C(NC1COCCN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029295675	0	40	-2.0	-96.94	347.00	-0.06	-97.00
CC1=CC=C(F)C([O-])=C1C(=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295723	0	43	-2.0	-97.25	363.86	0.59	-96.66
O=C(CC1SC(=O)[N-]C1=O)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295813	0	40	-2.0	-84.24	355.32	-4.31	-88.55
O=C(NC1COCCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=CC(=O)[N-]O1	REAL300029295846	0	40	-2.0	-87.22	349.39	-0.21	-87.43
O=C(NC1COCCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029295849	1	41	-2.0	-99.60	363.55	-2.07	-101.67
O=C(NC1COCCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029295855	0	40	-2.0	-96.54	349.32	0.60	-95.94
CC1=CC(=O)C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029295891	0	41	-2.0	-88.07	346.12	0.75	-87.32
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295897	0	45	-2.0	-108.46	380.32	-0.30	-108.76
O=C(NC1COCCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300029295929	0	40	-2.0	-106.61	346.82	0.12	-106.49
N#CC1=CC=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029295975	0	40	-2.0	-91.44	357.06	-1.89	-93.33
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295976	0	42	-2.0	-90.26	367.96	-7.30	-97.56
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029295976	1	42	-2.0	-84.96	367.90	-7.24	-92.20
O=C(NC1COCCN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300029296006	0	42	-2.0	-82.63	364.59	1.20	-81.43
CN1N=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029296050	0	39	-2.0	-102.62	336.40	-3.46	-106.08
[N-]=[N+]=NC1=CC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=CC=C1[O-]	REAL300029296085	0	42	-2.0	-82.78	360.82	-2.53	-85.31
O=C(NC1COCCN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C1=CC(=O)[N-]O1	REAL300029296128	0	41	-2.0	-110.33	360.46	-2.39	-112.72
O=C(NC1COCCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029296128	1	41	-2.0	-110.33	360.46	-2.39	-112.72
N#CC1=CC=C([O-])C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029296139	0	41	-2.0	-90.73	352.34	1.19	-89.54
O=C(NC1COCCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=CC(=O)[N-]O1	REAL300029296271	0	40	-2.0	-88.28	351.70	-2.32	-90.60
O=C(NC1COCCN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029296308	0	40	-2.0	-87.33	358.62	0.24	-87.09
O=C(NC1COCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029296340	1	40	-2.0	-113.83	341.16	-0.87	-114.70
O=C(NC1COCCN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029296349	1	45	-2.0	-107.74	374.01	0.68	-107.06
O=C(NC1COCCN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029296352	0	42	-2.0	-94.13	368.74	0.54	-93.59
O=C(NC1COCCN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029296355	0	42	-2.0	-85.99	361.40	0.74	-85.25
O=C(NC1COCCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029296368	1	40	-2.0	-96.73	357.31	0.39	-96.34
O=C(NC1COCCN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029296389	0	42	-2.0	-84.74	360.89	0.26	-84.48
O=C(NC1COCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300029296472	0	38	-2.0	-106.04	331.27	-5.73	-111.77
O=C(NC1COCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029296472	1	38	-2.0	-97.87	331.08	-4.76	-102.63
O=C(NC1COCCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1)C1=CC(=O)[N-]O1	REAL300029296506	0	42	-2.0	-97.28	355.19	-1.35	-98.63
O=C(NC1COCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1)C1=CC(=O)[N-]O1	REAL300029296549	1	45	-2.0	-102.85	374.48	3.23	-99.62
O=C(NC1COCCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=CC(=O)[N-]O1	REAL300029296550	0	36	-2.0	-86.39	331.57	-2.69	-89.08
NC1=NC=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029296574	1	40	-2.0	-93.59	344.84	-3.12	-96.71
CC1=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029296606	0	43	-2.0	-87.51	377.65	-1.22	-88.73
O=C(NC1COCCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029296628	0	40	-2.0	-94.40	349.34	-0.24	-94.64
O=C(NC1COCCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1)C1=CC(=O)[N-]O1	REAL300029296687	0	40	-2.0	-85.46	354.88	0.24	-85.22
O=C(NC1COCCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029296693	1	41	-2.0	-83.68	353.06	-0.90	-84.58
COC1=NC(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029296699	0	42	-2.0	-88.16	347.78	-4.25	-92.41
O=C(NC1COCCN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1)C1=CC(=O)[N-]O1	REAL300029296702	0	42	-2.0	-93.60	364.60	-1.56	-95.16
O=C(NC1COCCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029296715	0	39	-2.0	-99.57	346.22	0.69	-98.88
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029296721	1	43	-2.0	-107.10	380.40	0.84	-106.26
O=C(NC1COCCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029296762	0	40	-2.0	-109.02	350.96	-0.40	-109.42
O=C(NC1COCCN(C(=O)C2=CC=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029296773	0	39	-2.0	-96.48	326.53	-1.02	-97.50
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300029296783	0	36	-2.0	-87.54	312.77	-3.12	-90.66
CC1=C([O-])N=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029296818	1	39	-2.0	-109.53	345.71	-2.68	-112.21
O=C(NC1COCCN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300029296869	1	46	-2.0	-97.83	383.44	2.17	-95.66
O=C(NC1COCCN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029296889	1	46	-2.0	-101.36	378.83	2.24	-99.12
O=C(NC1COCCN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029296897	1	46	-2.0	-102.88	380.65	1.96	-100.92
O=C(NC1COCCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300029296949	1	42	-2.0	-87.06	355.35	0.04	-87.02
O=C(NC1COCCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=CC(=O)[N-]O1	REAL300029296986	0	39	-2.0	-114.16	349.49	-2.70	-116.86
O=C(NC1COCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029297021	1	39	-2.0	-80.67	347.19	0.74	-79.93
CSC1=NC=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029297047	1	42	-2.0	-94.14	372.65	-1.98	-96.12
O=C(NC1COCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029297055	0	40	-2.0	-82.94	347.70	-4.54	-87.48
CCN1[N-]C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029297136	0	43	-2.0	-87.18	362.10	-0.39	-87.57
CN1[N-]C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029297158	0	40	-2.0	-86.43	340.29	-1.33	-87.76
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029297175	0	40	-2.0	-89.34	358.04	-3.59	-92.93
CC1=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029297177	1	42	-2.0	-100.70	366.42	-2.52	-103.22
O=C(NC1COCCN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300029297248	1	45	-2.0	-91.97	376.05	-0.03	-92.00
O=C(CC1=CC(=O)N[N-]1)N1CCOCC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029297354	1	40	-2.0	-94.90	341.76	-2.83	-97.73
O=C(NC1COCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029297360	1	40	-2.0	-106.69	341.14	-0.84	-107.53
O=C(NC1COCCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029297422	0	40	-2.0	-88.35	345.31	-0.22	-88.57
O=C(NC1COCCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029297428	0	39	-2.0	-90.88	347.05	-1.62	-92.50
CC1=C(CC(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029297449	0	46	-2.0	-104.30	386.28	-0.85	-105.15
CC1=CN=C(C(=O)N2CCOCC(NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029297499	1	42	-2.0	-104.55	351.53	0.82	-103.73
O=C(NC1COCCN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029297514	0	41	-2.0	-90.47	364.88	-2.26	-92.73
O=C(NC1COCCN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300029297535	0	37	-2.0	-95.89	322.86	-1.60	-97.49
O=C(NC1COCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300029297557	0	40	-2.0	-95.94	349.01	0.42	-95.52
O=C(NC1COCCN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029297563	0	40	-2.0	-90.63	363.02	0.49	-90.14
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)NC1=O	REAL300029297615	0	40	-2.0	-84.71	344.85	-1.84	-86.55
O=C(NC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029297650	1	41	-2.0	-76.96	356.12	-1.27	-78.23
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300029298197	1	45	-2.0	-96.58	390.71	1.32	-95.26
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029298963	0	46	-2.0	-94.31	397.42	-0.68	-94.99
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299222	0	44	-2.0	-91.20	383.83	-3.41	-94.61
CC(=O)[N-]C1=NC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CS1	REAL300029299223	1	42	-2.0	-88.92	375.87	0.45	-88.47
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299413	1	45	-2.0	-97.43	390.61	0.78	-96.65
COC1=C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)NC(=O)[N-]C1=O	REAL300029299549	1	43	-2.0	-97.69	370.06	-2.16	-99.85
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300029299690	0	38	-2.0	-100.60	336.36	-3.35	-103.95
O=C(CN1C(=O)[N-]NC1=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299823	0	40	-2.0	-96.77	354.89	-1.91	-98.68
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029299990	0	44	-2.0	-97.89	388.45	0.97	-96.92
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300029300844	0	40	-2.0	-99.59	355.49	2.47	-97.12
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300029301035	0	40	-2.0	-87.97	355.86	-2.44	-90.41
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=COC(=O)[N-]1)C2	REAL300029301049	1	36	-2.0	-92.77	321.11	-1.58	-94.35
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2	REAL300029301106	1	48	-2.0	-96.21	406.56	1.86	-94.35
CCN1[N-]C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029301312	0	43	-2.0	-94.42	370.50	1.28	-93.14
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301321	1	40	-2.0	-106.64	348.34	-0.86	-107.50
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CC=CC(=S)N1[O-])C2	REAL300029301346	0	40	-2.0	-116.17	365.65	2.85	-113.32
O=C(CC1SC(=O)[N-]C1=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301364	0	40	-2.0	-93.93	362.31	-2.34	-96.27
CN1N=C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300029301383	0	39	-2.0	-94.71	342.20	-1.09	-95.80
CC1=C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)NC(C2CC2)=N1	REAL300029301502	0	48	-2.0	-111.61	407.19	1.77	-109.84
CC1=C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300029301502	1	48	-2.0	-111.61	407.19	1.77	-109.84
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300029301517	0	38	-2.0	-88.95	338.14	0.29	-88.66
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2	REAL300029301559	0	42	-2.0	-93.70	363.62	0.65	-93.05
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300029301672	0	37	-2.0	-88.55	324.75	-1.27	-89.82
C[PH](C)([O-])C(=O)C(=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029301677	0	42	-2.0	-86.56	358.03	-0.16	-86.72
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300029301728	0	40	-2.0	-120.96	355.92	2.42	-118.54
CSC1=NC=C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N1	REAL300029301749	0	42	-2.0	-103.92	382.00	0.15	-103.77
CSC1=NC=C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300029301749	1	42	-2.0	-103.92	382.00	0.15	-103.77
CC1SC(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NC1=O	REAL300029301775	0	39	-2.0	-94.48	351.71	-0.62	-95.10
CC1=C([O-])N=C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300029301775	1	39	-2.0	-94.48	351.71	-0.62	-95.10
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CC(=O)C=C(Cl)N1)C2	REAL300029301799	0	39	-2.0	-85.19	354.63	2.29	-82.90
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2	REAL300029301799	1	39	-2.0	-85.19	354.63	2.29	-82.90
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300029301826	0	40	-2.0	-105.55	345.64	2.10	-103.45
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300029301893	0	40	-2.0	-114.40	354.55	2.22	-112.18
O=C(C[N-]C(=O)C(F)(F)F)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302094	0	39	-2.0	-89.85	359.35	-1.62	-91.47
NC1=NC([O-])=C(CC(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300029302095	0	41	-2.0	-114.82	370.32	-2.41	-117.23
O=C(CC1=NC([O-])=CS1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302163	0	39	-2.0	-118.70	354.19	-1.58	-120.28
CCC1=NC=C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300029302192	1	44	-2.0	-99.25	374.48	0.89	-98.36
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029302205	0	41	-2.0	-110.21	363.69	-3.05	-113.26
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=C(Cl)C(=O)[N-]S1)C2	REAL300029302294	0	36	-2.0	-90.30	340.43	-0.61	-90.91
COCC1=NC=C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N1	REAL300029302421	0	45	-2.0	-102.57	393.63	-1.11	-103.68
COCC1=NC=C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300029302421	1	45	-2.0	-102.57	393.63	-1.11	-103.68
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CN=C(CC3CC3)NC1=O)C2	REAL300029302434	0	48	-2.0	-97.26	410.79	2.24	-95.02
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CN=C(CC3CC3)[N-]C1=O)C2	REAL300029302434	1	48	-2.0	-97.26	410.79	2.24	-95.02
CC1=CC(=O)C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N[N-]1	REAL300029302533	0	41	-2.0	-100.05	353.55	2.51	-97.54
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300029302556	0	36	-2.0	-88.04	320.56	-2.16	-90.20
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C2	REAL300029302585	0	41	-2.0	-89.29	370.12	1.43	-87.86
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C2	REAL300029302585	1	41	-2.0	-89.29	370.12	1.43	-87.86
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CN=C(C=N[O-])S1)C2	REAL300029302736	0	39	-2.0	-101.19	358.45	-0.18	-101.37
CN1[N-]C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029303001	0	40	-2.0	-93.67	348.69	0.35	-93.32
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CC=CC3=C1C(=O)[N-]C3=O)C2	REAL300029303012	1	43	-2.0	-106.06	367.99	0.13	-105.93
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029303016	0	40	-2.0	-91.10	365.95	-1.58	-92.68
CC1=C(C(=O)N2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=S)[N-]C(=O)N1	REAL300029303017	1	42	-2.0	-100.48	376.93	-0.02	-100.50
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300029303252	0	38	-2.0	-92.50	337.76	-3.72	-96.22
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300029303252	1	38	-2.0	-89.92	338.07	-2.96	-92.88
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029303338	0	42	-2.0	-92.79	375.87	-5.27	-98.06
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029303338	1	42	-2.0	-94.18	375.79	-5.22	-99.40
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029303499	0	42	-2.0	-105.09	370.78	-0.90	-105.99
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300029303757	1	39	-2.0	-99.56	336.37	2.16	-97.40
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029303884	1	45	-2.0	-98.13	388.61	0.65	-97.48
CC(=O)[N-]C1=NC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=CS1	REAL300029303902	1	42	-2.0	-85.76	374.63	0.25	-85.51
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300029303938	0	38	-2.0	-92.63	335.97	-3.50	-96.13
COC1=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)NC(=O)[N-]C1=O	REAL300029304000	1	43	-2.0	-93.30	368.34	-2.35	-95.65
O=C(CN1C(=O)[N-]NC1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029304200	0	40	-2.0	-94.48	352.65	-1.91	-96.39
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029304267	0	44	-2.0	-102.01	386.23	0.96	-101.05
O=C(CCCN1C(=O)[N-]NC1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305380	0	46	-2.0	-97.69	395.21	-0.75	-98.44
O=C(C1=CN=C(C2CC2)[N-]C1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029305627	1	45	-2.0	-100.74	380.88	2.36	-98.38
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306659	0	44	-2.0	-95.62	382.86	-3.50	-99.12
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=C([O-])C([N+](=O)[O-])=C3)C2)C1	REAL300029306669	0	42	-2.0	-93.71	366.51	3.38	-90.33
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC(Cl)=CC=C3[O-])C2)C1	REAL300029306685	1	40	-2.0	-97.24	357.93	3.68	-93.56
N#CC1=CC([O-])=CC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029306722	1	41	-2.0	-92.47	361.42	1.92	-90.55
NC1=CC=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1Cl	REAL300029306757	0	42	-2.0	-102.17	368.36	1.66	-100.51
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=CC([N+](=O)[O-])=C3[O-])C2)C1	REAL300029306826	0	42	-2.0	-105.53	365.83	4.47	-101.06
CCC1=NC=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029306863	1	44	-2.0	-98.75	368.72	1.73	-97.02
O=C(C1=COC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306890	1	36	-2.0	-89.52	319.87	-2.02	-91.54
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=CC([O-])=C3[N+](=O)[O-])C2)C1	REAL300029306980	0	42	-2.0	-104.79	368.97	3.18	-101.61
O=C(C[N-]C(=O)C(F)(F)F)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029306999	0	39	-2.0	-87.37	357.08	-1.61	-88.98
NC1=NC([O-])=C(CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029307000	0	41	-2.0	-115.65	368.32	-2.48	-118.13
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=C(F)C=C([O-])C=C3F)C2)C1	REAL300029307011	0	40	-2.0	-86.99	360.21	1.98	-85.01
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=C([O-])C=C3F)C2)C1	REAL300029307035	1	40	-2.0	-91.90	346.48	1.71	-90.19
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC([O-])=C4SC=CC4=C3)C2)C1	REAL300029307043	1	43	-2.0	-107.89	376.42	2.92	-104.97
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC([O-])=CC(=O)O3)C2)C1	REAL300029307046	0	39	-2.0	-97.61	345.83	1.09	-96.52
N#CC1=CC=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1[O-]	REAL300029307060	1	41	-2.0	-100.62	359.60	1.99	-98.63
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC(Cl)=NC=C3[O-])C2)C1	REAL300029307066	0	39	-2.0	-93.41	349.72	1.85	-91.56
N#CC1=CC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C(N)[N-]C1=O	REAL300029307073	0	42	-2.0	-92.59	376.65	-1.06	-93.65
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307092	0	41	-2.0	-96.96	362.97	-3.03	-99.99
CC1=CC=C([O-])C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300029307194	1	42	-2.0	-100.78	359.28	2.69	-98.09
O=C(CCC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307198	0	42	-2.0	-95.42	362.98	-1.36	-96.78
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300029307224	0	38	-2.0	-89.98	327.96	1.27	-88.71
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=CC(F)=C3[O-])C2)C1	REAL300029307238	0	40	-2.0	-105.04	346.07	3.23	-101.81
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=CC([O-])=C3F)C2)C1	REAL300029307384	1	40	-2.0	-102.66	346.37	1.69	-100.97
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=C([N+](=O)[O-])C([O-])=C3)C2)C1	REAL300029307476	0	42	-2.0	-101.57	365.44	3.35	-98.22
O=C(C1=CC(=O)N[N-]1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307549	0	37	-2.0	-88.17	324.70	-1.45	-89.62
C[PH](C)([O-])C(=O)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307557	0	42	-2.0	-91.88	363.38	-0.30	-92.18
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307587	0	45	-2.0	-106.68	392.66	3.29	-103.39
O=C(C1=CN=C(CC2CC2)NC1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307610	0	48	-2.0	-98.66	399.65	3.33	-95.33
O=C(C1=CN=C(CC2CC2)[N-]C1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307610	1	48	-2.0	-98.66	399.65	3.33	-95.33
COCC1=NC=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300029307634	0	45	-2.0	-98.92	381.65	-0.03	-98.95
COCC1=NC=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029307634	1	45	-2.0	-98.92	381.65	-0.03	-98.95
O=C(C1=CC(=O)N([O-])C=C1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307699	0	40	-2.0	-109.31	345.42	2.12	-107.19
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC(F)=C(F)C([O-])=C3F)C2)C1	REAL300029307736	0	40	-2.0	-95.72	358.81	1.81	-93.91
O=C(C1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307738	0	36	-2.0	-96.48	319.08	-2.92	-99.40
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=C(O)C=CC=C3Cl)C2)C1	REAL300029307744	0	40	-2.0	-94.37	363.17	2.37	-92.00
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=C([O-])C=CC=C3Cl)C2)C1	REAL300029307744	1	40	-2.0	-94.37	363.17	2.37	-92.00
O=C(C1=CC=CN([O-])C1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029307753	0	40	-2.0	-109.72	353.58	2.43	-107.29
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=C(F)C=CC(O)=C3F)C2)C1	REAL300029307796	0	40	-2.0	-94.86	359.78	1.95	-92.91
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=C(F)C=CC([O-])=C3F)C2)C1	REAL300029307796	1	40	-2.0	-94.86	359.78	1.95	-92.91
CC1=NC2=NC=C(C(=O)N3CC4(C3)CCN(C(=O)C3=CC(=O)[N-]O3)C4)C(=O)N2[N-]1	REAL300029307882	0	44	-2.0	-97.88	375.85	4.48	-93.40
NC1=CC(=O)[N-]C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300029307930	0	40	-2.0	-101.80	348.64	-1.93	-103.73
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=C([O-])C(Cl)=C3)C2)C1	REAL300029308015	0	40	-2.0	-94.31	355.43	2.13	-92.18
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC(F)=CC=C3[O-])C2)C1	REAL300029308023	1	40	-2.0	-96.89	347.61	3.23	-93.66
CC1=CC=NC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1[O-]	REAL300029308124	1	42	-2.0	-100.06	357.99	2.80	-97.26
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=C(Cl)C(F)=C3[O-])C2)C1	REAL300029308191	0	40	-2.0	-100.97	362.21	3.74	-97.23
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CN=CC([O-])=C3)C2)C1	REAL300029308324	1	39	-2.0	-93.67	336.06	-0.23	-93.90
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=CC(=S)N3[O-])C2)C1	REAL300029308338	0	40	-2.0	-121.43	354.01	4.19	-117.24
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C2)C1	REAL300029308496	1	48	-2.0	-100.25	396.74	2.91	-97.34
NC1=CC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC([O-])=C1Cl	REAL300029308514	1	42	-2.0	-96.33	369.76	0.05	-96.28
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=C([O-])C(Cl)=N3)C2)C1	REAL300029308519	0	39	-2.0	-85.96	354.68	0.95	-85.01
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=C([O-])C=C3Cl)C2)C1	REAL300029308596	1	40	-2.0	-90.64	354.65	2.16	-88.48
N#CC1=CC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C([O-])C=C1N	REAL300029308599	0	43	-2.0	-95.81	373.55	1.46	-94.35
O=C(CC1=NC([O-])=CS1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308613	0	39	-2.0	-105.92	353.47	-1.57	-107.49
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=C([O-])C=CC=C3F)C2)C1	REAL300029308638	0	40	-2.0	-96.81	353.67	1.99	-94.82
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308641	0	42	-2.0	-94.71	368.75	-0.93	-95.64
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=C(F)C=C3[O-])C2)C1	REAL300029308644	0	40	-2.0	-99.29	346.22	3.24	-96.05
CC1=CC=C(F)C([O-])=C1C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308699	0	43	-2.0	-105.08	374.33	2.51	-102.57
O=C(CC1SC(=O)[N-]C1=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308799	0	40	-2.0	-87.11	361.20	-2.34	-89.45
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=C([O-])C(F)=C3F)C2)C1	REAL300029308832	0	40	-2.0	-93.78	352.59	1.78	-92.00
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC([N+](=O)[O-])=C[N-]C3=O)C2)C1	REAL300029308836	1	41	-2.0	-90.77	371.00	0.42	-90.35
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=CC(Cl)=C3[O-])C2)C1	REAL300029308842	0	40	-2.0	-99.78	355.87	3.70	-96.08
CC1=CC(=O)C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300029308880	0	41	-2.0	-93.68	354.43	2.32	-91.36
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308886	0	45	-2.0	-109.19	385.19	2.13	-107.06
O=C(C1=CC=CC(=O)N1[O-])N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308922	0	40	-2.0	-118.65	342.89	3.15	-115.50
N#CC1=CC=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029308970	0	40	-2.0	-94.77	353.59	1.22	-93.55
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308971	0	42	-2.0	-97.17	373.86	-5.38	-102.55
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029308971	1	42	-2.0	-91.98	373.80	-5.32	-97.30
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC([O-])=CC=C3[N+](=O)[O-])C2)C1	REAL300029309002	0	42	-2.0	-87.01	367.61	3.25	-83.76
CN1N=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300029309048	0	39	-2.0	-96.22	343.39	-1.28	-97.50
[N-]=[N+]=NC1=CC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC=C1[O-]	REAL300029309090	0	42	-2.0	-93.66	367.16	-0.61	-94.27
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=C(F)C=CC(O)=C3O)C2)C1	REAL300029309134	0	41	-2.0	-98.58	364.15	0.05	-98.53
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=C(F)C=CC(O)=C3[O-])C2)C1	REAL300029309134	1	41	-2.0	-98.58	364.15	0.05	-98.53
N#CC1=CC=C([O-])C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029309147	0	41	-2.0	-94.37	362.03	3.59	-90.78
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CN([O-])C(=O)NC3=O)C2)C1	REAL300029309294	0	40	-2.0	-93.51	349.14	0.86	-92.65
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC(Cl)=C(F)C=C3[O-])C2)C1	REAL300029309336	0	40	-2.0	-93.58	362.39	3.73	-89.85
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=C(F)C([O-])=C3)C2)C1	REAL300029309372	1	40	-2.0	-104.91	345.67	1.62	-103.29
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=C([O-])C4=NC=CC=C4C=C3)C2)C1	REAL300029309382	1	45	-2.0	-110.57	380.57	3.65	-106.92
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=C([N+](=O)[O-])C=C3[O-])C2)C1	REAL300029309386	0	42	-2.0	-96.27	367.98	3.83	-92.44
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC([N+](=O)[O-])=CC=C3[O-])C2)C1	REAL300029309389	0	42	-2.0	-91.18	369.37	3.84	-87.34
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=C(Cl)C=C3[O-])C2)C1	REAL300029309403	1	40	-2.0	-99.15	356.54	3.70	-95.45
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC([O-])=CC([N+](=O)[O-])=C3)C2)C1	REAL300029309426	0	42	-2.0	-86.61	367.93	2.22	-84.39
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300029309518	0	38	-2.0	-92.60	337.51	-4.18	-96.78
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1	REAL300029309518	1	38	-2.0	-86.01	338.11	-3.42	-89.43
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=C4N=NN([O-])C4=C3)C2)C1	REAL300029309561	0	42	-2.0	-100.76	363.27	0.61	-100.15
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C2)C1	REAL300029309607	1	45	-2.0	-104.12	381.58	4.47	-99.65
O=C(C1=C(Cl)C(=O)[N-]S1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309608	0	36	-2.0	-89.79	340.50	-0.45	-90.24
NC1=NC=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029309634	1	40	-2.0	-99.41	342.00	0.09	-99.32
CC1=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C(=O)C(C#N)=C1	REAL300029309671	0	43	-2.0	-87.09	374.31	1.51	-85.58
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=C(F)C([O-])=C3F)C2)C1	REAL300029309698	0	40	-2.0	-102.35	352.56	1.77	-100.58
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C2)C1	REAL300029309762	0	40	-2.0	-89.77	361.91	2.20	-87.57
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=C[N-]C(=O)C([N+](=O)[O-])=C3)C2)C1	REAL300029309771	1	41	-2.0	-91.07	361.18	1.06	-90.01
COC1=NC(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC(=O)[N-]1	REAL300029309777	0	42	-2.0	-93.06	365.12	-3.22	-96.28
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=C4N[N-]N=C4C3=O)C2)C1	REAL300029309780	0	42	-2.0	-92.67	368.25	0.37	-92.30
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=NC=CC(Cl)=C3[O-])C2)C1	REAL300029309793	0	39	-2.0	-96.14	353.87	2.62	-93.52
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309799	1	43	-2.0	-102.87	384.67	3.22	-99.65
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=C(Cl)C([O-])=C3)C2)C1	REAL300029309845	0	40	-2.0	-100.88	355.47	2.09	-98.79
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=NC=C3[O-])C2)C1	REAL300029309856	0	39	-2.0	-99.15	332.86	1.41	-97.74
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309866	0	36	-2.0	-92.80	319.73	-1.12	-93.92
CC1=C([O-])N=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029309910	1	39	-2.0	-96.51	351.34	-1.04	-97.55
O=C(C1=C([O-])C=CC2=CC=CC=C21)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309969	1	46	-2.0	-103.09	393.82	4.10	-98.99
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309989	1	46	-2.0	-104.60	384.71	5.50	-99.10
O=C(C1=CC2=CC=CC=C2C=C1[O-])N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029309997	1	46	-2.0	-107.72	385.86	5.44	-102.28
O=C(C(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([O-])C=C1	REAL300029310053	1	42	-2.0	-90.04	362.23	1.79	-88.25
O=C(C1=CN=C(C=N[O-])S1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310092	0	39	-2.0	-102.38	359.51	-0.21	-102.59
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C2)C1	REAL300029310130	1	39	-2.0	-84.91	354.38	1.98	-82.93
CSC1=NC=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029310156	1	42	-2.0	-99.78	369.94	1.26	-98.52
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300029310165	0	40	-2.0	-88.00	345.82	-2.78	-90.78
CCN1[N-]C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029310253	0	43	-2.0	-91.31	369.25	1.19	-90.12
CN1[N-]C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029310277	0	40	-2.0	-90.66	347.52	0.26	-90.40
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=CC4=C3C(=O)[N-]C4=O)C2)C1	REAL300029310292	1	43	-2.0	-105.24	371.01	0.20	-105.04
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310297	0	40	-2.0	-95.79	363.95	-1.72	-97.51
CC1=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=S)[N-]C(=O)N1	REAL300029310299	1	42	-2.0	-106.37	378.31	-0.14	-106.51
CC1=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]C(C2CC2)=N1	REAL300029310310	1	48	-2.0	-113.25	409.83	1.70	-111.55
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=C([O-])C=NC4=CC=CC=C43)C2)C1	REAL300029310375	1	45	-2.0	-101.03	388.46	2.21	-98.82
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310495	1	40	-2.0	-97.06	347.64	-0.87	-97.93
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=C([O-])C(F)=C3)C2)C1	REAL300029310502	1	40	-2.0	-98.24	345.63	1.66	-96.58
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC(F)=C([O-])C(F)=C3)C2)C1	REAL300029310570	0	40	-2.0	-93.06	352.12	1.71	-91.35
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC=NC(Cl)=C3[O-])C2)C1	REAL300029310576	0	39	-2.0	-96.61	350.37	1.85	-94.76
CC1=C(CC(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N(C)[N-]1	REAL300029310598	0	46	-2.0	-98.11	390.49	1.54	-96.57
O=C(CCC(=O)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([O-])C=C1	REAL300029310611	1	48	-2.0	-92.52	410.06	3.37	-89.15
CC1=CN=C(C(=O)N2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300029310652	1	42	-2.0	-100.93	357.82	2.78	-98.15
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=C(O)C=CC(Cl)=C3[O-])C2)C1	REAL300029310669	0	41	-2.0	-95.06	373.86	-0.31	-95.37
O=C(C1=CC([O-])=CS1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310694	0	37	-2.0	-97.85	331.94	0.66	-97.19
O=C(C1=CN([O-])C(=O)C=C1)N1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029310720	0	40	-2.0	-103.89	346.14	2.11	-101.78
O=C(C1=CC(=O)[N-]O1)N1CCC2(CN(C(=O)C3=CC(F)=CC(Cl)=C3[O-])C2)C1	REAL300029310726	0	40	-2.0	-100.47	363.38	3.78	-96.69
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CN([O-])C(=O)NC1=O)C2	REAL300029310783	0	40	-2.0	-91.83	360.18	-0.15	-91.98
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCN(C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C2	REAL300029310820	1	41	-2.0	-85.02	371.04	0.39	-84.63
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NNC(=O)[N-]C1=O	REAL300029312154	0	39	-2.0	-95.75	347.98	-5.92	-101.67
O=C(CN1C(=O)[N-]NC1=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029312250	0	41	-2.0	-95.69	362.58	-4.28	-99.97
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)C=C1	REAL300029312903	0	41	-2.0	-105.64	359.06	0.21	-105.43
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)NC([O-])=C1	REAL300029313025	0	41	-2.0	-93.70	359.70	-4.66	-98.36
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=COC(=O)[N-]1	REAL300029313036	1	37	-2.0	-99.01	331.59	-4.85	-103.86
O=C([N-]CC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C(F)(F)C(F)(F)F	REAL300029313131	0	36	-2.0	-89.57	338.28	-1.48	-91.05
CCN1[N-]C(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029313214	0	44	-2.0	-97.40	381.06	-1.18	-98.58
O=C(CC1=CC(=O)N[N-]1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313222	1	41	-2.0	-97.13	357.09	-3.23	-100.36
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=S)N1[O-]	REAL300029313241	0	41	-2.0	-117.82	367.62	2.25	-115.57
O=C(CC1SC(=O)[N-]C1=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313251	0	41	-2.0	-89.41	370.20	-4.72	-94.13
CN1N=C(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300029313267	0	40	-2.0	-99.56	353.74	-3.65	-103.21
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]N=CC1=O	REAL300029313359	0	39	-2.0	-91.34	340.64	-1.69	-93.03
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N[N-]1	REAL300029313469	0	38	-2.0	-94.37	336.52	-3.82	-98.19
C[PH](C)([O-])C(=O)C(=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313474	0	43	-2.0	-92.26	369.58	-2.53	-94.79
O=C(CCC1=NC(=O)NN1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313503	0	43	-2.0	-104.65	372.35	-4.19	-108.84
O=C(CCC1=NC(=O)[N-]N1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313503	1	43	-2.0	-104.65	372.35	-4.19	-108.84
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CN([O-])C1=O	REAL300029313508	0	41	-2.0	-116.50	356.74	0.42	-116.08
CC1SC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300029313539	0	40	-2.0	-107.12	362.96	-3.73	-110.85
CC1=C([O-])N=C(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029313539	1	40	-2.0	-107.12	362.96	-3.73	-110.85
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)C=C(Cl)N1	REAL300029313553	0	40	-2.0	-90.83	366.57	-0.57	-91.40
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)C=C(Cl)[N-]1	REAL300029313553	1	40	-2.0	-90.83	366.57	-0.57	-91.40
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N([O-])C=C1	REAL300029313572	0	41	-2.0	-107.08	359.43	0.20	-106.88
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=O)N1[O-]	REAL300029313611	0	41	-2.0	-116.34	356.50	1.22	-115.12
NC1=NC([O-])=C(CC(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029313742	0	42	-2.0	-106.59	377.75	-4.81	-111.40
O=C(CC1=NC([O-])=CS1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029313790	0	40	-2.0	-104.95	362.93	-3.95	-108.90
CCC1=NC=C(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300029313808	0	45	-2.0	-100.18	381.65	-1.30	-101.48
CCC1=NC=C(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029313808	1	45	-2.0	-100.18	381.65	-1.30	-101.48
CC1=CC(=O)C(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300029314038	0	42	-2.0	-97.97	365.14	-0.06	-98.03
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)N[N-]1	REAL300029314054	0	37	-2.0	-97.72	331.01	-5.15	-102.87
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C=N[O-])S1	REAL300029314176	0	40	-2.0	-103.70	371.80	-2.28	-105.98
COC1=NC(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)=CC(=O)[N-]1	REAL300029314191	0	43	-2.0	-96.51	377.14	-5.84	-102.35
CN1[N-]C(C(=O)NCC23CC(CO2)N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029314355	0	41	-2.0	-96.62	359.23	-2.15	-98.77
O=C(CSC1=NNC(=O)[N-]1)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314362	0	41	-2.0	-95.31	373.40	-4.03	-99.34
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)[N-]C(=O)N1	REAL300029314529	0	39	-2.0	-101.15	349.54	-6.91	-108.06
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)NC(=O)[N-]1	REAL300029314529	1	39	-2.0	-93.25	350.19	-6.16	-99.41
O=C(CN1[N-]C(=O)C=CC1=O)NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029314688	0	43	-2.0	-97.78	378.20	-3.28	-101.06
O=C(NCC12CC(CO1)N(C(=O)C1=NC=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029314941	1	40	-2.0	-100.64	347.07	0.13	-100.51
O=C(NCC12CC(CO1)N(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300029315072	0	39	-2.0	-95.18	346.92	-5.62	-100.80
O=C(CN1C(=O)[N-]NC1=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029315252	0	41	-2.0	-95.15	364.90	-4.14	-99.29
O=C(NCC12CC(CO1)N(C(=O)C1=CC(Cl)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029316741	1	41	-2.0	-96.62	368.87	1.07	-95.55
N#CC1=CC([O-])=CC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)=C1	REAL300029316767	1	42	-2.0	-96.28	371.24	-0.31	-96.59
CCC1=NC=C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C(=O)[N-]1	REAL300029316859	1	45	-2.0	-96.97	390.10	-1.56	-98.53
O=C(NCC12CC(CO1)N(C(=O)C1=COC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029316878	1	37	-2.0	-97.91	331.48	-3.96	-101.87
O=C(C[N-]C(=O)C(F)(F)F)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029316949	0	40	-2.0	-91.19	369.35	-3.85	-95.04
NC1=NC([O-])=C(CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)S1	REAL300029316950	0	42	-2.0	-106.17	379.99	-4.63	-110.80
O=C(NCC12CC(CO1)N(C(=O)C1=C(F)C=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300029316960	0	41	-2.0	-93.20	371.90	-0.22	-93.42
O=C(NCC12CC(CO1)N(C(=O)C1=CC=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300029316976	1	41	-2.0	-95.38	359.10	-0.47	-95.85
O=C(NCC12CC(CO1)N(C(=O)C1=CC([O-])=CC(=O)O1)C2)C1=CC(=O)[N-]O1	REAL300029316982	0	40	-2.0	-97.57	355.44	-1.08	-98.65
N#CC1=CC=C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C=C1[O-]	REAL300029316990	1	42	-2.0	-101.28	370.33	-0.24	-101.52
O=C(NCC12CC(CO1)N(C(=O)C1=CC(Cl)=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029316993	0	40	-2.0	-93.66	364.65	-0.80	-94.46
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317011	0	42	-2.0	-96.50	374.67	-5.22	-101.72
CC1=CC=C([O-])C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)=N1	REAL300029317076	1	43	-2.0	-100.89	368.98	0.69	-100.20
O=C(CCC1=NC(=O)[N-]N1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317078	1	43	-2.0	-105.94	374.27	-3.98	-109.92
O=C(NCC12CC(CO1)N(C(=O)C1=C[N-]N=CC1=O)C2)C1=CC(=O)[N-]O1	REAL300029317097	0	39	-2.0	-90.46	348.99	-1.89	-92.35
O=C(NCC12CC(CO1)N(C(=O)C1=CC=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029317108	0	41	-2.0	-101.51	358.39	0.59	-100.92
O=C(NCC12CC(CO1)N(C(=O)C1=CC=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300029317207	1	41	-2.0	-100.48	358.65	-0.48	-100.96
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029317318	0	38	-2.0	-93.36	335.46	-3.56	-96.92
C[PH](C)([O-])C(=O)C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029317324	0	43	-2.0	-90.47	372.24	-2.29	-92.76
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300029317422	0	41	-2.0	-108.74	366.38	0.23	-108.51
O=C(NCC12CC(CO1)N(C(=O)C1=NNC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029317448	0	37	-2.0	-96.04	330.71	-5.06	-101.10
O=C(NCC12CC(CO1)N(C(=O)C1=C(O)C=CC=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300029317451	0	41	-2.0	-102.06	375.43	0.13	-101.93
O=C(NCC12CC(CO1)N(C(=O)C1=C([O-])C=CC=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300029317451	1	41	-2.0	-102.06	375.43	0.13	-101.93
O=C(NCC12CC(CO1)N(C(=O)C1=CC=CN([O-])C1=O)C2)C1=CC(=O)[N-]O1	REAL300029317456	0	41	-2.0	-109.59	365.32	0.23	-109.36
O=C(NCC12CC(CO1)N(C(=O)C1=C(F)C=CC(O)=C1F)C2)C1=CC(=O)[N-]O1	REAL300029317485	0	41	-2.0	-101.29	372.17	-0.27	-101.56
O=C(NCC12CC(CO1)N(C(=O)C1=C(F)C=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300029317485	1	41	-2.0	-101.29	372.17	-0.27	-101.56
O=C(NCC12CC(CO1)N(C(=O)C1=CC(F)=CC=C1O)C2)C1=CC(=O)[N-]O1	REAL300029317634	0	41	-2.0	-96.80	358.55	0.62	-96.18
O=C(NCC12CC(CO1)N(C(=O)C1=CC(F)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029317634	1	41	-2.0	-96.80	358.55	0.62	-96.18
CC1=CC=NC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)=C1O	REAL300029317699	0	43	-2.0	-100.68	367.70	0.80	-99.88
CC1=CC=NC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)=C1[O-]	REAL300029317699	1	43	-2.0	-100.68	367.70	0.80	-99.88
O=C(NCC12CC(CO1)N(C(=O)C1=CN=CC(O)=C1)C2)C1=CC(=O)[N-]O1	REAL300029317820	0	40	-2.0	-100.33	345.16	-2.47	-102.80
O=C(NCC12CC(CO1)N(C(=O)C1=CN=CC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029317820	1	40	-2.0	-100.33	345.16	-2.47	-102.80
O=C(NCC12CC(CO1)N(C(=O)C1=CC=CC(=S)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300029317830	0	41	-2.0	-112.78	375.88	0.68	-112.10
O=C(NCC12CC(CO1)N(C(=O)C1=CC=C([O-])C(Cl)=N1)C2)C1=CC(=O)[N-]O1	REAL300029317947	0	40	-2.0	-94.21	365.38	-1.06	-95.27
O=C(NCC12CC(CO1)N(C(=O)C1=CC=C([O-])C=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300029317991	1	41	-2.0	-95.05	367.77	-0.03	-95.08
N#CC1=CC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)=C([O-])C=C1N	REAL300029317993	0	44	-2.0	-97.27	385.91	-1.12	-98.39
O=C(CC1=NC([O-])=CS1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318003	0	40	-2.0	-107.02	365.75	-3.80	-110.82
O=C(NCC12CC(CO1)N(C(=O)C1=C([O-])C=CC=C1F)C2)C1=CC(=O)[N-]O1	REAL300029318018	0	41	-2.0	-102.56	365.93	-0.25	-102.81
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318020	0	43	-2.0	-95.84	380.44	-3.12	-98.96
O=C(NCC12CC(CO1)N(C(=O)C1=CC=C(F)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029318021	0	41	-2.0	-96.77	358.87	0.59	-96.18
CC1=CC=C(F)C([O-])=C1C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318058	0	44	-2.0	-101.71	385.24	0.31	-101.40
O=C(CC1SC(=O)[N-]C1=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029318129	0	41	-2.0	-89.14	372.13	-4.51	-93.65
O=C(NCC12CC(CO1)N(C(=O)C1=CC=C([O-])C(F)=C1F)C2)C1=CC(=O)[N-]O1	REAL300029318154	0	41	-2.0	-96.32	364.85	-0.38	-96.70
O=C(NCC12CC(CO1)N(C(=O)C1=CC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029318161	0	41	-2.0	-97.18	368.19	1.07	-96.11
CC1=CC(=O)C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)=N[N-]1	REAL300029318190	0	42	-2.0	-96.13	364.08	0.24	-95.89
O=C(NCC12CC(CO1)N(C(=O)C1=CC=CC(=O)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300029318216	0	41	-2.0	-110.51	364.78	0.05	-110.46
N#CC1=CC=C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C(=O)[N-]1	REAL300029318246	0	41	-2.0	-98.89	375.59	-2.09	-100.98
CN1N=C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)[N-]C1=O	REAL300029318298	0	40	-2.0	-98.05	353.59	-3.40	-101.45
O=C(NCC12CC(CO1)N(C(=O)C1=C(F)C=CC(O)=C1O)C2)C1=CC(=O)[N-]O1	REAL300029318352	0	42	-2.0	-102.91	376.76	-2.16	-105.07
O=C(NCC12CC(CO1)N(C(=O)C1=C(F)C=CC(O)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029318352	1	42	-2.0	-102.91	376.76	-2.16	-105.07
N#CC1=CC=C([O-])C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)=C1	REAL300029318361	0	42	-2.0	-95.69	372.99	0.99	-94.70
O=C(NCC12CC(CO1)N(C(=O)C1=CN([O-])C(=O)NC1=O)C2)C1=CC(=O)[N-]O1	REAL300029318456	0	41	-2.0	-99.21	370.08	-2.33	-101.54
O=C(NCC12CC(CO1)N(C(=O)C1=CC=C(F)C(O)=C1)C2)C1=CC(=O)[N-]O1	REAL300029318512	0	41	-2.0	-101.15	356.39	-0.64	-101.79
O=C(NCC12CC(CO1)N(C(=O)C1=CC=C(F)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029318512	1	41	-2.0	-101.15	356.39	-0.64	-101.79
O=C(NCC12CC(CO1)N(C(=O)C1=CC=C(Cl)C=C1O)C2)C1=CC(=O)[N-]O1	REAL300029318531	0	41	-2.0	-96.74	369.18	1.05	-95.69
O=C(NCC12CC(CO1)N(C(=O)C1=CC=C(Cl)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029318531	1	41	-2.0	-96.74	369.18	1.05	-95.69
O=C(NCC12CC(CO1)N(C(=O)C1=NC(=O)[N-]C(=O)N1)C2)C1=CC(=O)[N-]O1	REAL300029318603	0	39	-2.0	-101.55	348.85	-6.11	-107.66
O=C(NCC12CC(CO1)N(C(=O)C1=NC(=O)NC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029318603	1	39	-2.0	-92.97	349.10	-5.36	-98.33
NC1=NC=C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C(=O)[N-]1	REAL300029318663	1	41	-2.0	-98.56	363.12	-3.20	-101.76
CC1=C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)[N-]C(=O)C(C#N)=C1	REAL300029318685	0	44	-2.0	-97.15	385.72	-0.43	-97.58
O=C(NCC12CC(CO1)N(C(=O)C1=CC=C(F)C([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300029318699	0	41	-2.0	-100.37	364.80	-0.40	-100.77
COC1=NC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)=CC(=O)[N-]1	REAL300029318746	0	43	-2.0	-94.55	374.47	-5.09	-99.64
O=C(NCC12CC(CO1)N(C(=O)C1=NC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029318756	0	40	-2.0	-96.65	363.58	0.63	-96.02
O=C(NCC12CC(CO1)N(C(=O)C1=CC=C(Cl)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029318794	0	41	-2.0	-97.26	366.20	-0.13	-97.39
O=C(NCC12CC(CO1)N(C(=O)C1=CC=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029318803	0	40	-2.0	-97.41	346.99	-1.25	-98.66
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)[N-]O1	REAL300029318809	0	37	-2.0	-98.92	331.26	-3.34	-102.26
CC1=C([O-])N=C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)S1	REAL300029318834	1	40	-2.0	-108.03	362.37	-3.05	-111.08
O=C(NCC12CC(CO1)N(C(=O)C(=O)C1=CC=C([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300029318930	1	43	-2.0	-93.36	372.94	-0.34	-93.70
O=C(NCC12CC(CO1)N(C(=O)C1=CN=C(C=N[O-])S1)C2)C1=CC(=O)[N-]O1	REAL300029318953	0	40	-2.0	-106.67	368.61	-2.41	-109.08
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029318977	1	40	-2.0	-89.45	365.28	-0.05	-89.50
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)NC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029319001	0	41	-2.0	-93.51	366.47	-4.69	-98.20
CCN1[N-]C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)=CC1=O	REAL300029319062	0	44	-2.0	-94.55	381.17	-1.02	-95.57
CN1[N-]C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)=CC1=O	REAL300029319083	0	41	-2.0	-94.92	358.28	-1.87	-96.79
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029319093	0	41	-2.0	-94.59	376.21	-3.87	-98.46
O=C(CC1=CC(=O)N[N-]1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CC1CO2	REAL300029319230	1	41	-2.0	-96.10	359.90	-3.08	-99.18
O=C(NCC12CC(CO1)N(C(=O)C1=CC=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300029319235	1	41	-2.0	-100.53	356.35	-0.58	-101.11
O=C(NCC12CC(CO1)N(C(=O)C1=CC(F)=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300029319283	0	41	-2.0	-100.06	361.90	-0.45	-100.51
O=C(NCC12CC(CO1)N(C(=O)C1=CC=NC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029319288	0	40	-2.0	-95.44	363.96	-0.76	-96.20
CC1=C(CC(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C(=O)N(C)[N-]1	REAL300029319303	0	47	-2.0	-97.05	402.71	-0.67	-97.72
CC1=CN=C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CC2CO3)C([O-])=C1	REAL300029319340	1	43	-2.0	-101.89	369.14	0.73	-101.16
O=C(NCC12CC(CO1)N(C(=O)C1=CC([O-])=CS1)C2)C1=CC(=O)[N-]O1	REAL300029319363	0	38	-2.0	-100.89	343.02	-1.61	-102.50
O=C(NCC12CC(CO1)N(C(=O)C1=CN([O-])C(=O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300029319379	0	41	-2.0	-112.25	365.80	0.26	-111.99
O=C(NCC12CC(CO1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)NC1=O	REAL300029319409	0	41	-2.0	-95.17	361.99	-2.11	-97.28
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C2CC2)[N-]C1=O	REAL300029319894	1	48	-2.0	-98.07	380.81	4.05	-94.02
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300029320861	0	41	-2.0	-89.74	336.50	-2.25	-91.99
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029320963	0	43	-2.0	-92.77	350.23	-0.57	-93.34
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300029321670	0	43	-2.0	-100.82	346.21	3.87	-96.95
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300029321801	0	43	-2.0	-83.61	346.80	-1.04	-84.65
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300029321812	1	39	-2.0	-84.48	320.11	-1.15	-85.63
O=C([N-][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300029321915	1	38	-2.0	-78.64	329.15	3.55	-75.09
CCN1[N-]C(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029322005	0	46	-2.0	-87.80	369.10	2.47	-85.33
O=C(CC1=CC(=O)N[N-]1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322013	1	43	-2.0	-95.74	345.26	0.48	-95.26
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=S)N1[O-]	REAL300029322033	0	43	-2.0	-119.14	354.67	5.86	-113.28
O=C(CC1SC(=O)[N-]C1=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322044	0	43	-2.0	-86.54	358.34	-1.01	-87.55
CN1N=C(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029322061	0	42	-2.0	-90.70	341.98	0.04	-90.66
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300029322158	0	41	-2.0	-77.10	324.26	1.90	-75.20
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC=C2N=NN([O-])C2=C1	REAL300029322194	0	45	-2.0	-98.43	362.95	2.33	-96.10
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300029322279	0	40	-2.0	-84.48	324.55	-0.17	-84.65
C[PH](C)([O-])C(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322284	0	45	-2.0	-84.54	363.48	1.16	-83.38
O=C(CCC1=NC(=O)NN1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322316	0	45	-2.0	-96.53	360.67	-0.48	-97.01
O=C(CCC1=NC(=O)[N-]N1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322316	1	45	-2.0	-96.53	360.67	-0.48	-97.01
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300029322321	0	43	-2.0	-112.97	344.31	4.86	-108.11
CC1SC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300029322356	0	42	-2.0	-90.62	351.36	-0.03	-90.65
CC1=C([O-])N=C(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)S1	REAL300029322356	1	42	-2.0	-90.62	351.36	-0.03	-90.65
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)N1	REAL300029322370	0	42	-2.0	-81.43	354.88	3.14	-78.29
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)[N-]1	REAL300029322370	1	42	-2.0	-81.43	354.88	3.14	-78.29
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300029322390	0	43	-2.0	-101.19	346.70	3.85	-97.34
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300029322433	0	43	-2.0	-116.04	343.55	4.82	-111.22
NC1=NC([O-])=C(CC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)S1	REAL300029322572	0	44	-2.0	-106.07	365.98	-1.12	-107.19
O=C(CC1=NC([O-])=CS1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029322624	0	42	-2.0	-107.58	351.16	-0.24	-107.82
CCC1=NC=C(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029322645	0	47	-2.0	-95.81	369.25	3.39	-92.42
CCC1=NC=C(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029322645	1	47	-2.0	-95.81	369.25	3.39	-92.42
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=C(Cl)C(=O)[N-]S1	REAL300029322721	0	39	-2.0	-85.35	342.29	1.14	-84.21
CC1=CC(=O)C(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029322896	0	44	-2.0	-88.70	353.37	3.63	-85.07
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300029322912	0	39	-2.0	-84.15	319.18	-1.45	-85.60
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C=N[O-])S1	REAL300029323046	0	42	-2.0	-96.80	360.31	1.44	-95.36
COC1=NC(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300029323062	0	45	-2.0	-88.73	365.37	-2.16	-90.89
CN1[N-]C(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029323241	0	43	-2.0	-87.01	347.37	1.54	-85.47
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323249	0	43	-2.0	-90.57	361.64	-0.34	-90.91
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300029323424	0	41	-2.0	-86.71	337.68	-3.21	-89.92
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300029323424	1	41	-2.0	-81.14	338.45	-2.45	-83.59
O=C(CN1[N-]C(=O)C=CC1=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029323593	0	45	-2.0	-93.13	366.43	0.41	-92.72
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029323847	1	42	-2.0	-97.44	336.60	3.88	-93.56
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029323982	0	41	-2.0	-88.66	335.89	-1.88	-90.54
O=C(CN1C(=O)[N-]NC1=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029324175	0	43	-2.0	-90.71	354.04	-0.44	-91.15
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029325139	1	48	-2.0	-85.87	377.37	2.48	-83.39
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(Cl)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029325827	1	43	-2.0	-94.14	354.07	5.01	-89.13
N#CC1=CC([O-])=CC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029325854	1	44	-2.0	-83.48	364.01	3.48	-80.00
CCC1=NC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029325953	1	47	-2.0	-84.51	366.29	1.89	-82.62
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029325973	1	39	-2.0	-85.29	319.54	0.08	-85.21
O=C(C[N-]C(=O)C(F)(F)F)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326050	0	42	-2.0	-83.88	358.31	-0.17	-84.05
NC1=NC([O-])=C(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029326051	0	44	-2.0	-103.54	369.31	-0.97	-104.51
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=C(F)C=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300029326061	0	43	-2.0	-83.36	361.72	3.45	-79.91
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300029326077	1	43	-2.0	-87.60	343.95	3.08	-84.52
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300029326083	0	42	-2.0	-85.25	344.66	2.58	-82.67
N#CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C=C1[O-]	REAL300029326092	1	44	-2.0	-91.27	359.57	3.39	-87.88
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(Cl)=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300029326096	0	42	-2.0	-89.95	349.59	3.11	-86.84
N#CC1=CC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)=C(N)[N-]C1=O	REAL300029326102	0	45	-2.0	-85.74	376.29	0.32	-85.42
O=C(CN1N=CC(=O)[N-]C1=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326119	0	44	-2.0	-94.71	364.00	-1.57	-96.28
CC1=CC=C([O-])C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300029326190	1	45	-2.0	-98.12	358.20	4.46	-93.66
O=C(CCC1=NNC(=O)[N-]1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326192	0	45	-2.0	-88.18	364.01	0.19	-87.99
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300029326211	0	41	-2.0	-78.20	324.01	1.64	-76.56
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300029326222	0	43	-2.0	-101.23	348.15	4.42	-96.81
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029326326	1	43	-2.0	-97.67	348.42	3.21	-94.46
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300029326451	0	40	-2.0	-84.44	324.52	0.17	-84.27
C[PH](C)([O-])C(=O)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029326457	0	45	-2.0	-84.13	358.02	1.30	-82.83
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300029326565	0	43	-2.0	-98.07	355.74	3.89	-94.18
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NNC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029326594	0	39	-2.0	-87.77	319.16	-1.28	-89.05
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=C(O)C=CC=C1Cl)C1=CC(=O)[N-]O1	REAL300029326598	0	43	-2.0	-92.39	364.37	3.82	-88.57
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=C([O-])C=CC=C1Cl)C1=CC(=O)[N-]O1	REAL300029326598	1	43	-2.0	-92.39	364.37	3.82	-88.57
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300029326603	0	43	-2.0	-98.28	341.26	3.56	-94.72
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=C(F)C=CC(O)=C1F)C1=CC(=O)[N-]O1	REAL300029326633	0	43	-2.0	-89.77	361.49	3.44	-86.33
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=C(F)C=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029326633	1	43	-2.0	-89.77	361.49	3.44	-86.33
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(F)=CC=C1O)C1=CC(=O)[N-]O1	REAL300029326795	0	43	-2.0	-93.51	343.75	4.57	-88.94
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029326795	1	43	-2.0	-93.51	343.75	4.57	-88.94
CC1=CC=NC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)=C1[O-]	REAL300029326862	1	45	-2.0	-97.31	356.93	4.57	-92.74
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300029326993	1	42	-2.0	-88.91	337.80	1.28	-87.63
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=CC(=S)N1[O-])C1=CC(=O)[N-]O1	REAL300029327003	0	43	-2.0	-116.32	358.46	5.37	-110.95
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C([O-])C(Cl)=N1)C1=CC(=O)[N-]O1	REAL300029327131	0	42	-2.0	-81.88	354.65	2.70	-79.18
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C([O-])C=C1Cl)C1=CC(=O)[N-]O1	REAL300029327177	1	43	-2.0	-86.66	353.30	3.56	-83.10
N#CC1=CC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)=C([O-])C=C1N	REAL300029327179	0	46	-2.0	-92.56	372.86	2.61	-89.95
O=C(CC1=NC([O-])=CS1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327189	0	42	-2.0	-103.42	354.66	-0.11	-103.53
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=C([O-])C=CC=C1F)C1=CC(=O)[N-]O1	REAL300029327204	0	43	-2.0	-94.27	354.88	3.44	-90.83
O=C(CN1[N-]C(=O)C=CC1=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327206	0	45	-2.0	-91.53	369.91	0.54	-90.99
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300029327208	0	43	-2.0	-96.12	344.84	4.56	-91.56
CC1=CC=C(F)C([O-])=C1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327248	0	46	-2.0	-98.38	374.61	4.01	-94.37
O=C(CC1SC(=O)[N-]C1=O)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327323	0	43	-2.0	-83.82	361.90	-0.88	-84.70
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C([O-])C(F)=C1F)C1=CC(=O)[N-]O1	REAL300029327349	0	43	-2.0	-89.11	351.92	3.17	-85.94
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029327356	0	43	-2.0	-96.15	357.95	4.89	-91.26
CC1=CC(=O)C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300029327387	0	44	-2.0	-88.64	353.09	3.98	-84.66
O=C(C=C([O-])C1=CC=C(O)C=C1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029327391	0	48	-2.0	-100.78	385.04	3.61	-97.17
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300029327415	0	43	-2.0	-113.50	347.34	4.46	-109.04
N#CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029327448	0	43	-2.0	-89.12	364.49	1.61	-87.51
CN1N=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300029327503	0	42	-2.0	-90.54	341.93	0.38	-90.16
[N-]=[N+]=NC1=CC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)=CC=C1[O-]	REAL300029327529	0	45	-2.0	-84.73	370.59	0.98	-83.75
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=C(F)C=CC(O)=C1O)C1=CC(=O)[N-]O1	REAL300029327565	0	44	-2.0	-94.17	365.90	1.53	-92.64
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=C(F)C=CC(O)=C1[O-])C1=CC(=O)[N-]O1	REAL300029327565	1	44	-2.0	-94.17	365.90	1.53	-92.64
N#CC1=CC=C([O-])C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029327575	0	44	-2.0	-90.76	358.18	4.91	-85.85
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CN([O-])C(=O)NC1=O)C1=CC(=O)[N-]O1	REAL300029327677	0	43	-2.0	-88.54	359.92	1.31	-87.23
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C(F)C(O)=C1)C1=CC(=O)[N-]O1	REAL300029327736	0	43	-2.0	-90.25	346.51	3.03	-87.22
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300029327736	1	43	-2.0	-90.25	346.51	3.03	-87.22
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C(Cl)C=C1O)C1=CC(=O)[N-]O1	REAL300029327756	0	43	-2.0	-96.15	355.17	5.02	-91.13
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C(Cl)C=C1[O-])C1=CC(=O)[N-]O1	REAL300029327756	1	43	-2.0	-96.15	355.17	5.02	-91.13
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300029327834	0	41	-2.0	-87.44	337.72	-2.29	-89.73
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029327834	1	41	-2.0	-81.46	338.11	-1.48	-82.94
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C2N=NN([O-])C2=C1)C1=CC(=O)[N-]O1	REAL300029327855	0	45	-2.0	-96.07	363.15	2.07	-94.00
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=C(Cl)C(=O)[N-]S1)C1=CC(=O)[N-]O1	REAL300029327886	0	39	-2.0	-85.85	340.36	0.86	-84.99
NC1=NC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029327904	1	43	-2.0	-85.03	339.65	0.25	-84.78
CC1=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)[N-]C(=O)C(C#N)=C1	REAL300029327930	0	46	-2.0	-82.57	373.67	3.45	-79.12
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C(F)C([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029327947	0	43	-2.0	-97.46	351.89	3.15	-94.31
COC1=NC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)=CC(=O)[N-]1	REAL300029327998	0	45	-2.0	-87.94	361.98	-1.39	-89.33
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C2N[N-]N=C2C1=O)C1=CC(=O)[N-]O1	REAL300029327999	0	45	-2.0	-90.51	369.42	1.83	-88.68
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029328009	0	42	-2.0	-93.40	352.55	4.39	-89.01
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C(Cl)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300029328049	0	43	-2.0	-86.60	356.32	3.52	-83.08
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300029328059	0	42	-2.0	-95.64	333.73	2.49	-93.15
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300029328065	0	39	-2.0	-88.27	319.30	0.32	-87.95
CC1=C([O-])N=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029328091	1	42	-2.0	-92.17	351.64	0.83	-91.34
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)C1=CC=C([O-])C=C1)C1=CC(=O)[N-]O1	REAL300029328190	1	45	-2.0	-85.97	362.46	3.35	-82.62
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CN=C(C=N[O-])S1)C1=CC(=O)[N-]O1	REAL300029328216	0	42	-2.0	-96.70	357.95	1.08	-95.62
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=CC(=O)[N-]O1	REAL300029328241	1	42	-2.0	-81.00	354.33	3.70	-77.30
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300029328266	0	43	-2.0	-83.49	354.96	-1.01	-84.50
CCN1[N-]C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029328330	0	46	-2.0	-87.57	368.85	2.83	-84.74
CN1[N-]C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029328352	0	43	-2.0	-86.87	347.28	1.89	-84.98
O=C(CSC1=NNC(=O)[N-]1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328364	0	43	-2.0	-88.19	364.98	-0.15	-88.34
O=C(CC1=CC(=O)N[N-]1)N1[C@@H]2CC[C@H]1C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C2	REAL300029328512	1	43	-2.0	-92.91	349.04	0.62	-92.29
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300029328517	1	43	-2.0	-88.67	346.46	3.07	-85.60
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(F)=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300029328571	0	43	-2.0	-88.46	351.46	3.16	-85.30
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=NC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029328577	0	42	-2.0	-93.84	348.91	3.14	-90.70
CC1=C(CC(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C(=O)N(C)[N-]1	REAL300029328592	0	49	-2.0	-94.64	391.85	3.03	-91.61
CC1=CN=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300029328630	1	45	-2.0	-98.79	358.00	4.50	-94.29
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300029328655	0	40	-2.0	-94.15	331.75	1.94	-92.21
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300029328671	0	43	-2.0	-98.69	344.74	3.53	-95.16
O=C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)NC1=O	REAL300029328706	0	43	-2.0	-89.61	350.38	2.57	-87.04
O=C(C1=COC(=O)[N-]1)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329489	1	43	-2.0	-88.85	347.27	-1.02	-89.87
O=C(CC1=CC(=O)N[N-]1)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329568	1	47	-2.0	-95.11	377.50	-0.46	-95.57
CN1N=C(C(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)[N-]C1=O	REAL300029329577	0	46	-2.0	-92.47	370.54	-0.82	-93.29
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCCN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300029329609	0	45	-2.0	-88.13	358.16	0.40	-87.73
O=C(C1=CC(=O)N[N-]1)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029329643	0	44	-2.0	-91.51	352.10	-1.11	-92.62
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCCN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300029329821	0	43	-2.0	-92.20	346.96	-1.68	-93.88
CN1[N-]C(C(=O)N2CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=CC1=O	REAL300029329909	0	47	-2.0	-94.50	374.85	0.59	-93.91
O=C(C1=CC(=O)[N-]O1)N1CCCC2(C1)CN(C(=O)C1=NC=CC=C1[O-])CCO2	REAL300029330265	1	46	-2.0	-105.20	364.71	2.54	-102.66
O=C(C1=COC(=O)[N-]1)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330761	1	43	-2.0	-93.21	347.36	-1.03	-94.24
O=C(C1=CC(=O)[N-]O1)N1CCCC2(C1)CN(C(=O)C1=C[N-]N=CC1=O)CCO2	REAL300029330835	0	45	-2.0	-83.56	367.67	0.61	-82.95
O=C(C1=CC(=O)N[N-]1)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029330896	0	44	-2.0	-90.43	352.14	-1.14	-91.57
O=C(C1=CC(=O)[N-]O1)N1CCCC2(C1)CN(C(=O)C1=NC(=O)N[N-]1)CCO2	REAL300029330930	0	43	-2.0	-92.89	347.00	-1.71	-94.60
O=C(C1=CC(=O)[N-]O1)N1CCCC2(C1)CN(C(=O)C1=CN=CC([O-])=C1)CCO2	REAL300029331040	1	46	-2.0	-90.45	366.38	0.13	-90.32
CN1N=C(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300029331151	0	46	-2.0	-98.80	369.77	-0.94	-99.74
O=C(C1=CC(=O)[N-]O1)N1CCCC2(C1)CN(C(=O)C1=CC=NC=C1[O-])CCO2	REAL300029331284	0	46	-2.0	-106.90	364.14	1.23	-105.67
O=C(C1=CC(=O)[N-]O1)N1CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029331287	0	43	-2.0	-93.75	347.09	-1.16	-94.91
CN1[N-]C(C(=O)N2CCOC3(CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029331376	0	47	-2.0	-87.80	375.86	0.71	-87.09
O=C(CC1=CC(=O)N[N-]1)N1CCOC2(CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029331424	1	47	-2.0	-98.40	376.26	-0.73	-99.13
O=C(C1=CC(=O)[N-]O1)N1CCCC2(C1)CN(C(=O)C1=CC([O-])=CS1)CCO2	REAL300029331468	0	44	-2.0	-102.55	360.08	0.76	-101.79
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1=COC(=O)[N-]1)CC1=CC=CC=C1	REAL300029332483	1	44	-2.0	-102.67	383.44	0.33	-102.34
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CC1=CC(=O)N[N-]1)CC1=CC=CC=C1	REAL300029332546	1	48	-2.0	-96.07	408.86	1.93	-94.14
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1=C[N-]N=CC1=O)CC1=CC=CC=C1	REAL300029332574	0	46	-2.0	-93.99	392.49	3.48	-90.51
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1=CC(=O)N[N-]1)CC1=CC=CC=C1	REAL300029332603	0	45	-2.0	-95.83	388.25	1.30	-94.53
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1=NC(=O)N[N-]1)CC1=CC=CC=C1	REAL300029332724	0	44	-2.0	-101.12	382.84	0.02	-101.10
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1=CC(=O)N(C)[N-]1)CC1=CC=CC=C1	REAL300029332783	0	48	-2.0	-97.85	411.06	3.02	-94.83
CN(C(=O)C1=NC=CC=C1[O-])C(CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029333070	1	47	-2.0	-108.42	400.06	5.47	-102.95
CN(C(=O)C1=COC(=O)[N-]1)C(CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029333366	1	44	-2.0	-95.05	383.14	1.80	-93.25
CN(C(=O)C1=C[N-]N=CC1=O)C(CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029333417	0	46	-2.0	-91.25	400.76	3.17	-88.08
CN(C(=O)C1=CC(=O)N[N-]1)C(CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029333459	0	45	-2.0	-97.43	388.53	1.69	-95.74
CN(C(=O)C1=NC(=O)N[N-]1)C(CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029333475	0	44	-2.0	-97.26	383.31	0.98	-96.28
CN(C(=O)C1=CN=CC([O-])=C1)C(CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029333543	1	47	-2.0	-102.39	398.83	2.68	-99.71
CN(C(=O)C1=CC=NC=C1[O-])C(CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029333680	0	47	-2.0	-101.65	401.11	3.49	-98.16
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029333682	0	44	-2.0	-101.04	382.99	1.79	-99.25
CN(C(=O)C1=CC(=O)N(C)[N-]1)C(CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029333738	0	48	-2.0	-100.23	411.36	3.39	-96.84
CN(C(=O)CC1=CC(=O)N[N-]1)C(CNC(=O)C1=CC(=O)[N-]O1)CC1=CC=CC=C1	REAL300029333765	1	48	-2.0	-106.65	408.98	1.98	-104.67
O=C(NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=NNC(=O)[N-]C1=O	REAL300029334671	0	44	-2.0	-96.07	374.69	-2.99	-99.06
O=C(CN1C(=O)[N-]NC1=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029334732	0	46	-2.0	-98.95	388.80	-1.33	-100.28
O=C(NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CN([O-])C(=O)C=C1	REAL300029335160	0	46	-2.0	-108.19	385.76	3.14	-105.05
O=C(NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC(=O)NC([O-])=C1	REAL300029335248	0	46	-2.0	-88.86	386.23	-1.75	-90.61
O=C(NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=COC(=O)[N-]1	REAL300029335259	1	42	-2.0	-87.02	358.59	-1.80	-88.82
CCN1[N-]C(C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=CC1=O	REAL300029335383	0	49	-2.0	-93.87	407.67	1.72	-92.15
O=C(CC1=CC(=O)N[N-]1)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335390	1	46	-2.0	-102.29	383.79	-0.29	-102.58
CN1N=C(C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)[N-]C1=O	REAL300029335417	0	45	-2.0	-93.69	380.67	-0.61	-94.30
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C[PH](C)([O-])C(=O)C(=O)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335556	0	48	-2.0	-87.55	401.65	0.39	-87.16
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O=C(CCC1=NC(=O)[N-]N1)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335578	1	48	-2.0	-99.17	399.05	-1.25	-100.42
O=C(NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC=CN([O-])C1=O	REAL300029335581	0	46	-2.0	-98.52	383.42	3.31	-95.21
CC1SC(C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=NC1=O	REAL300029335602	0	45	-2.0	-94.17	389.67	-0.80	-94.97
CC1=C([O-])N=C(C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)S1	REAL300029335602	1	45	-2.0	-94.17	389.67	-0.80	-94.97
O=C(NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC(=O)N([O-])C=C1	REAL300029335620	0	46	-2.0	-108.03	386.14	3.14	-104.89
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O=C(CC1=NC([O-])=CS1)NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029335764	0	45	-2.0	-113.85	389.64	-1.01	-114.86
CC1=CC(=O)C(C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=N[N-]1	REAL300029335934	0	47	-2.0	-95.49	391.84	2.87	-92.62
O=C(NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=NC(=O)N[N-]1	REAL300029335945	0	42	-2.0	-87.00	358.01	-2.11	-89.11
CN1[N-]C(C(=O)NCC2CC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=CC1=O	REAL300029336146	0	46	-2.0	-92.99	385.94	0.79	-92.20
O=C(NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=NC(=O)[N-]C(=O)N1	REAL300029336252	0	44	-2.0	-84.04	377.19	-3.11	-87.15
O=C(NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=NC(=O)NC(=O)[N-]1	REAL300029336252	1	44	-2.0	-84.04	377.19	-3.11	-87.15
O=C(NCC1CC12CCN(C(=O)C1=NC=CC=C1O)CC2)C1=CC(=O)[N-]O1	REAL300029336607	0	45	-2.0	-101.75	377.47	2.92	-98.83
O=C(NCC1CC12CCN(C(=O)C1=NC=CC=C1[O-])CC2)C1=CC(=O)[N-]O1	REAL300029336607	1	45	-2.0	-101.75	377.47	2.92	-98.83
O=C(NCC1CC12CCN(C(=O)C1=NNC(=O)[N-]C1=O)CC2)C1=CC(=O)[N-]O1	REAL300029336710	0	44	-2.0	-93.17	375.01	-2.58	-95.75
O=C(CN1C(=O)[N-]NC1=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029336818	0	46	-2.0	-94.34	391.98	-1.06	-95.40
N#CC1=CC([O-])=CC(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029337754	1	47	-2.0	-91.68	404.83	2.97	-88.71
O=C(NCC1CC12CCN(C(=O)C1=COC(=O)[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300029337824	1	42	-2.0	-87.92	358.38	-0.31	-88.23
O=C(NCC1CC12CCN(C(=O)C1=CC=C([O-])C=C1F)CC2)C1=CC(=O)[N-]O1	REAL300029337897	1	46	-2.0	-91.64	389.31	2.64	-89.00
O=C(NCC1CC12CCN(C(=O)C1=CC([O-])=CC(=O)O1)CC2)C1=CC(=O)[N-]O1	REAL300029337902	0	45	-2.0	-89.74	385.12	2.02	-87.72
N#CC1=CC=C(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C=C1[O-]	REAL300029337905	1	47	-2.0	-89.00	405.76	3.07	-85.93
CC1=CC=C([O-])C(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029337964	1	48	-2.0	-100.00	397.28	3.83	-96.17
O=C(CCC1=NC(=O)[N-]N1)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029337965	1	48	-2.0	-96.26	402.27	-0.94	-97.20
O=C(NCC1CC12CCN(C(=O)C1=C[N-]N=CC1=O)CC2)C1=CC(=O)[N-]O1	REAL300029337976	0	44	-2.0	-82.28	372.93	1.05	-81.23
O=C(NCC1CC12CCN(C(=O)C1=CC=CC(F)=C1[O-])CC2)C1=CC(=O)[N-]O1	REAL300029337983	0	46	-2.0	-108.38	389.72	2.87	-105.51
O=C(NCC1CC12CCN(C(=O)C1=CC=CC([O-])=C1F)CC2)C1=CC(=O)[N-]O1	REAL300029338055	1	46	-2.0	-104.05	389.99	2.65	-101.40
O=C(NCC1CC12CCN(C(=O)C1=CC(=O)N[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300029338130	0	43	-2.0	-87.98	362.92	-0.40	-88.38
C[PH](C)([O-])C(=O)C(=O)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338136	0	48	-2.0	-87.38	402.37	0.52	-86.86
O=C(NCC1CC12CCN(C(=O)C1=CC(=O)N([O-])C=C1)CC2)C1=CC(=O)[N-]O1	REAL300029338195	0	46	-2.0	-101.49	393.45	3.28	-98.21
O=C(NCC1CC12CCN(C(=O)C1=NC(=O)N[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300029338212	0	42	-2.0	-87.94	358.00	-1.02	-88.96
O=C(NCC1CC12CCN(C(=O)C1=CC=CN([O-])C1=O)CC2)C1=CC(=O)[N-]O1	REAL300029338217	0	46	-2.0	-102.91	388.29	3.05	-99.86
O=C(NCC1CC12CCN(C(=O)C1=CC(F)=CC=C1O)CC2)C1=CC(=O)[N-]O1	REAL300029338337	0	46	-2.0	-98.74	388.85	3.58	-95.16
O=C(NCC1CC12CCN(C(=O)C1=CC(F)=CC=C1[O-])CC2)C1=CC(=O)[N-]O1	REAL300029338337	1	46	-2.0	-98.74	388.85	3.58	-95.16
CC1=CC=NC(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)=C1O	REAL300029338384	0	48	-2.0	-101.67	395.73	3.94	-97.73
CC1=CC=NC(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)=C1[O-]	REAL300029338384	1	48	-2.0	-101.67	395.73	3.94	-97.73
O=C(NCC1CC12CCN(C(=O)C1=CN=CC(O)=C1)CC2)C1=CC(=O)[N-]O1	REAL300029338452	0	45	-2.0	-89.60	378.85	0.81	-88.79
O=C(NCC1CC12CCN(C(=O)C1=CN=CC([O-])=C1)CC2)C1=CC(=O)[N-]O1	REAL300029338452	1	45	-2.0	-89.60	378.85	0.81	-88.79
O=C(CC1=NC([O-])=CS1)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029338554	0	45	-2.0	-107.25	392.82	-0.70	-107.95
CC1=CC(=O)C(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300029338677	0	47	-2.0	-91.65	392.15	3.30	-88.35
O=C(NCC1CC12CCN(C(=O)C1=CC=CC(=O)N1[O-])CC2)C1=CC(=O)[N-]O1	REAL300029338695	0	46	-2.0	-99.82	384.54	3.32	-96.50
N#CC1=CC=C(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300029338715	0	46	-2.0	-95.23	402.73	0.97	-94.26
CN1N=C(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300029338745	0	45	-2.0	-94.53	380.39	-0.21	-94.74
N#CC1=CC=C([O-])C(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029338786	0	47	-2.0	-95.53	403.26	3.93	-91.60
O=C(NCC1CC12CCN(C(=O)C1=CC=C(F)C([O-])=C1)CC2)C1=CC(=O)[N-]O1	REAL300029338884	1	46	-2.0	-93.19	390.18	2.64	-90.55
O=C(NCC1CC12CCN(C(=O)C1=NC(=O)[N-]C(=O)N1)CC2)C1=CC(=O)[N-]O1	REAL300029338942	0	44	-2.0	-85.68	378.50	-2.43	-88.11
O=C(NCC1CC12CCN(C(=O)C1=NC(=O)NC(=O)[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300029338942	1	44	-2.0	-85.68	378.50	-2.43	-88.11
NC1=NC=C(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N1	REAL300029338982	0	46	-2.0	-99.59	391.17	-0.21	-99.80
NC1=NC=C(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300029338982	1	46	-2.0	-99.59	391.17	-0.21	-99.80
O=C(NCC1CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC(=O)[N-]O1	REAL300029339079	0	42	-2.0	-91.04	358.16	-0.33	-91.37
CC1SC(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)=NC1=O	REAL300029339096	0	45	-2.0	-91.02	390.00	0.41	-90.61
CC1=C([O-])N=C(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300029339096	1	45	-2.0	-91.02	390.00	0.41	-90.61
O=C(NCC1CC12CCN(C(=O)C(=O)C1=CC=C(O)C=C1)CC2)C1=CC(=O)[N-]O1	REAL300029339175	0	48	-2.0	-89.53	409.79	2.60	-86.93
O=C(NCC1CC12CCN(C(=O)C(=O)C1=CC=C([O-])C=C1)CC2)C1=CC(=O)[N-]O1	REAL300029339175	1	48	-2.0	-89.53	409.79	2.60	-86.93
O=C(NCC1CC12CCN(C(=O)C1=CC(=O)NC([O-])=C1)CC2)C1=CC(=O)[N-]O1	REAL300029339213	0	46	-2.0	-86.15	393.80	-1.63	-87.78
CCN1[N-]C(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029339258	0	49	-2.0	-90.94	407.46	2.23	-88.71
CN1[N-]C(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029339274	0	46	-2.0	-90.43	385.73	1.31	-89.12
O=C(CC1=CC(=O)NN1)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339364	0	46	-2.0	-95.86	386.97	0.02	-95.84
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CC2CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029339364	1	46	-2.0	-95.86	386.97	0.02	-95.84
O=C(NCC1CC12CCN(C(=O)C1=CC=C(O)C(F)=C1)CC2)C1=CC(=O)[N-]O1	REAL300029339368	0	46	-2.0	-93.06	390.15	2.66	-90.40
O=C(NCC1CC12CCN(C(=O)C1=CC=C([O-])C(F)=C1)CC2)C1=CC(=O)[N-]O1	REAL300029339368	1	46	-2.0	-93.06	390.15	2.66	-90.40
CC1=CN=C(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C(O)=C1	REAL300029339437	0	48	-2.0	-102.12	397.12	3.90	-98.22
CC1=CN=C(C(=O)N2CCC3(CC3CNC(=O)C3=CC(=O)[N-]O3)CC2)C([O-])=C1	REAL300029339437	1	48	-2.0	-102.12	397.12	3.90	-98.22
O=C(NCC1CC12CCN(C(=O)C1=CC([O-])=CS1)CC2)C1=CC(=O)[N-]O1	REAL300029339450	0	43	-2.0	-99.91	371.23	1.39	-98.52
O=C(NCC1CC12CCN(C(=O)C1=CN([O-])C(=O)C=C1)CC2)C1=CC(=O)[N-]O1	REAL300029339463	0	46	-2.0	-104.16	390.51	3.17	-100.99
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CN=C(C2CC2)[N-]C1=O	REAL300029339990	1	45	-2.0	-93.21	384.93	-2.93	-96.14
O=C(CCCN1C(=O)[N-]NC1=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340656	0	46	-2.0	-96.99	396.97	-5.25	-102.24
O=C(CCC1=NNC(=O)[N-]C1=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029340882	0	44	-2.0	-93.27	385.83	-7.98	-101.25
CC(=O)[N-]C1=NC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)=CS1	REAL300029340883	1	42	-2.0	-87.62	380.21	-4.50	-92.12
O=C(CCN1C=C[N-]C(=O)C1=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341050	1	45	-2.0	-97.55	391.74	-3.86	-101.41
COC1=C(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)NC(=O)[N-]C1=O	REAL300029341164	1	43	-2.0	-95.94	374.06	-6.80	-102.74
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=NNC(=O)[N-]C1=O	REAL300029341285	0	38	-2.0	-93.43	341.65	-8.12	-101.55
O=C(CN1C(=O)[N-]NC1=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029341406	0	40	-2.0	-95.85	355.62	-6.45	-102.30
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CN([O-])C(=O)C=C1	REAL300029342295	0	40	-2.0	-107.90	351.37	-1.98	-109.88
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CC(=O)NC([O-])=C1	REAL300029342464	0	40	-2.0	-89.12	353.20	-6.90	-96.02
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=COC(=O)[N-]1	REAL300029342477	1	36	-2.0	-92.55	323.90	-7.04	-99.59
O=C([N-]C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C(F)(F)C(F)(F)F	REAL300029342601	1	35	-2.0	-86.71	330.26	-3.68	-90.39
CCN1[N-]C(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)=CC1=O	REAL300029342711	0	43	-2.0	-92.68	374.64	-3.43	-96.11
O=C(CC1=CC(=O)N[N-]1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342719	1	40	-2.0	-97.72	350.77	-5.44	-103.16
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CC=CC(=S)N1[O-]	REAL300029342743	0	40	-2.0	-121.58	361.29	0.03	-121.55
O=C(CC1SC(=O)[N-]C1=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029342758	0	40	-2.0	-87.87	364.15	-6.94	-94.81
CN1N=C(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)[N-]C1=O	REAL300029342777	0	39	-2.0	-95.51	347.34	-5.86	-101.37
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=C[N-]N=CC1=O	REAL300029342899	0	38	-2.0	-85.26	332.95	-3.89	-89.15
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CC=C2N=NN([O-])C2=C1	REAL300029342939	0	42	-2.0	-104.93	367.93	-3.47	-108.40
CC1=C(CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C(=O)N(C)[N-]1	REAL300029342951	0	46	-2.0	-97.73	393.58	-3.03	-100.76
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CC(=O)N[N-]1	REAL300029343040	0	37	-2.0	-89.47	330.09	-6.07	-95.54
C[PH](C)([O-])C(=O)C(=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343045	0	42	-2.0	-89.70	361.85	-4.76	-94.46
CN1[N-]C(CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)=CC1=O	REAL300029343048	0	43	-2.0	-100.09	373.53	-3.71	-103.80
O=C(CCC1=NC(=O)[N-]N1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343086	1	42	-2.0	-100.72	365.86	-6.38	-107.10
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CC=CN([O-])C1=O	REAL300029343094	0	40	-2.0	-104.71	348.96	-1.82	-106.53
CSC1=NC=C(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C(=O)[N-]1	REAL300029343115	1	42	-2.0	-92.65	375.10	-4.01	-96.66
CC1=C([O-])N=C(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)S1	REAL300029343140	1	39	-2.0	-98.03	356.63	-5.94	-103.97
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029343161	1	39	-2.0	-86.18	360.25	-2.77	-88.95
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CC(=O)N([O-])C=C1	REAL300029343183	0	40	-2.0	-105.71	353.11	-2.00	-107.71
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CC=CC(=O)N1[O-]	REAL300029343243	0	40	-2.0	-118.66	350.17	-1.01	-119.67
O=C(C[N-]C(=O)C(F)(F)F)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343415	0	39	-2.0	-91.47	358.88	-6.16	-97.63
NC1=NC([O-])=C(CC(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)S1	REAL300029343416	0	41	-2.0	-113.82	370.10	-7.00	-120.82
O=C(CC1=NC([O-])=CS1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343479	0	39	-2.0	-109.20	356.62	-6.16	-115.36
CCC1=NC=C(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C(=O)[N-]1	REAL300029343505	1	44	-2.0	-91.79	373.86	-3.52	-95.31
O=C(CN1N=CC(=O)[N-]C1=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029343517	0	41	-2.0	-100.49	365.96	-7.57	-108.06
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=C(Cl)C(=O)[N-]S1	REAL300029343599	0	36	-2.0	-92.37	346.29	-4.74	-97.11
COCC1=NC=C(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C(=O)N1	REAL300029343710	0	45	-2.0	-92.64	386.79	-5.28	-97.92
COCC1=NC=C(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C(=O)[N-]1	REAL300029343710	1	45	-2.0	-92.64	386.79	-5.28	-97.92
CC1=CC(=O)C(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)=N[N-]1	REAL300029343815	0	41	-2.0	-93.77	358.38	-2.21	-95.98
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=NC(=O)N[N-]1	REAL300029343834	0	36	-2.0	-90.64	324.69	-7.37	-98.01
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029343859	1	41	-2.0	-89.80	367.29	-3.05	-92.85
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CN=C(C=N[O-])S1	REAL300029344000	0	39	-2.0	-101.16	365.47	-4.49	-105.65
COC1=NC(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)=CC(=O)[N-]1	REAL300029344020	0	42	-2.0	-93.25	370.39	-8.00	-101.25
CN1[N-]C(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)=CC1=O	REAL300029344244	0	40	-2.0	-91.99	352.91	-4.36	-96.35
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344256	0	40	-2.0	-95.85	365.94	-6.23	-102.08
CC1=C(C(=O)NC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2O)C(=S)[N-]C(=O)N1	REAL300029344257	1	42	-2.0	-99.73	380.51	-4.95	-104.68
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=NC(=O)[N-]C(=O)N1	REAL300029344476	0	38	-2.0	-94.40	342.25	-9.17	-103.57
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=NC(=O)NC(=O)[N-]1	REAL300029344476	1	38	-2.0	-88.99	342.49	-8.34	-97.33
O=C(COC1=NC(=O)[N-]C(=O)N1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344549	0	42	-2.0	-95.38	377.00	-9.92	-105.30
O=C(COC1=NC(=O)NC(=O)[N-]1)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344549	1	42	-2.0	-91.82	375.61	-9.84	-101.66
O=C(CN1[N-]C(=O)C=CC1=O)NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O	REAL300029344692	0	42	-2.0	-98.74	370.53	-5.46	-104.20
O=C(NC[C@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029344949	1	39	-2.0	-108.03	341.40	-2.08	-110.11
O=C(CCN1C=C[N-]C(=O)C1=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029345072	1	45	-2.0	-100.30	394.20	-3.64	-103.94
CC(=O)[N-]C1=NC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029345084	1	42	-2.0	-87.05	378.96	-3.93	-90.98
O=C(NC[C@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029345118	0	38	-2.0	-99.84	340.35	-7.83	-107.67
COC1=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029345173	1	43	-2.0	-95.81	375.05	-6.73	-102.54
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029345350	0	40	-2.0	-100.72	358.70	-6.35	-107.07
O=C(CCCN1C(=O)[N-]NC1=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029346377	0	46	-2.0	-100.08	400.76	-5.06	-105.14
O=C(NC[C@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029346595	1	45	-2.0	-102.66	395.30	-3.24	-105.90
O=C(CCC1=NNC(=O)[N-]C1=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347485	0	44	-2.0	-96.69	388.45	-7.79	-104.48
O=C(NC[C@H]1CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029347495	0	42	-2.0	-99.34	370.89	-1.01	-100.35
O=C(NC[C@H]1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029347509	1	40	-2.0	-107.98	361.43	-1.03	-109.01
N#CC1=CC([O-])=CC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029347541	1	41	-2.0	-96.78	364.81	-2.52	-99.30
NC1=CC=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1Cl	REAL300029347568	0	42	-2.0	-108.91	375.48	-3.21	-112.12
O=C(NC[C@H]1CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029347632	0	42	-2.0	-118.37	371.41	-0.09	-118.46
CCC1=NC=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029347665	1	44	-2.0	-101.37	384.22	-3.83	-105.20
O=C(NC[C@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029347690	1	36	-2.0	-89.47	324.03	-5.90	-95.37
O=C(NC[C@H]1CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029347772	0	42	-2.0	-110.04	376.72	-1.75	-111.79
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347790	0	39	-2.0	-92.24	362.69	-6.00	-98.24
NC1=NC([O-])=C(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029347791	0	41	-2.0	-115.80	373.39	-6.92	-122.72
O=C(NC[C@H]1CN(C(=O)C2=C(F)C=C([O-])C=C2F)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029347802	0	40	-2.0	-89.23	366.28	-2.45	-91.68
O=C(NC[C@H]1CN(C(=O)C2=CC=C([O-])C=C2F)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029347825	1	40	-2.0	-97.50	351.49	-2.82	-100.32
O=C(NC[C@H]1CN(C(=O)C2=CC([O-])=CC(=O)O2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029347834	0	39	-2.0	-91.14	349.10	-3.36	-94.50
N#CC1=CC=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300029347845	1	41	-2.0	-88.93	363.79	-2.46	-91.39
O=C(NC[C@H]1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029347849	0	39	-2.0	-103.29	356.74	-2.96	-106.25
N#CC1=CC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C(N)[N-]C1=O	REAL300029347856	0	42	-2.0	-91.96	380.90	-5.53	-97.49
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347873	0	41	-2.0	-107.57	368.08	-7.54	-115.11
CC1=CC=C([O-])C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029347963	1	42	-2.0	-109.64	362.58	-1.46	-111.10
O=C(CCC1=NC(=O)[N-]N1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029347966	1	42	-2.0	-99.62	368.49	-6.18	-105.80
O=C(NC[C@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029347989	0	38	-2.0	-92.14	343.11	-4.13	-96.27
O=C(NC[C@H]1CN(C(=O)C2=CC=CC(F)=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348003	0	40	-2.0	-117.61	351.06	-1.48	-119.09
O=C(NC[C@H]1CN(C(=O)C2=CC=CC([O-])=C2F)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348130	1	40	-2.0	-111.99	351.35	-2.81	-114.80
O=C(NC[C@H]1CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348211	0	42	-2.0	-103.88	369.62	-1.10	-104.98
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348277	0	37	-2.0	-92.83	328.88	-5.78	-98.61
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029348285	0	42	-2.0	-94.12	367.78	-4.67	-98.79
COCC1=NC=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029348353	0	45	-2.0	-102.26	397.15	-5.59	-107.85
COCC1=NC=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029348353	1	45	-2.0	-102.26	397.15	-5.59	-107.85
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348414	0	40	-2.0	-102.12	360.10	-1.96	-104.08
O=C(NC[C@H]1CN(C(=O)C2=NNC(=O)[N-]2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348449	0	36	-2.0	-96.53	323.56	-7.25	-103.78
O=C(NC[C@H]1CN(C(=O)C2=C(O)C=CC=C2Cl)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348454	0	40	-2.0	-103.76	368.69	-2.12	-105.88
O=C(NC[C@H]1CN(C(=O)C2=C([O-])C=CC=C2Cl)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348454	1	40	-2.0	-103.76	368.69	-2.12	-105.88
O=C(NC[C@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348462	0	40	-2.0	-114.52	359.44	-2.04	-116.56
O=C(NC[C@H]1CN(C(=O)C2=C(F)C=CC(O)=C2F)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348500	0	40	-2.0	-97.58	365.66	-2.44	-100.02
O=C(NC[C@H]1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348500	1	40	-2.0	-97.58	365.66	-2.44	-100.02
O=C(NC[C@H]1CN(C(=O)C2=CC(F)=CC=C2O)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348700	0	40	-2.0	-107.10	351.10	-1.47	-108.57
O=C(NC[C@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348700	1	40	-2.0	-107.10	351.10	-1.47	-108.57
CC1=CC=NC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C1O	REAL300029348794	0	42	-2.0	-110.09	361.09	-1.38	-111.47
CC1=CC=NC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029348794	1	42	-2.0	-110.09	361.09	-1.38	-111.47
O=C(NC[C@H]1CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348853	0	40	-2.0	-107.57	369.61	-1.30	-108.87
O=C(NC[C@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348974	1	39	-2.0	-90.07	338.34	-4.62	-94.69
O=C(NC[C@H]1CN(C(=O)C2=CC=CC(=S)N2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029348987	0	40	-2.0	-122.97	369.67	-1.56	-124.53
NC1=CC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=CC([O-])=C1Cl	REAL300029349148	1	42	-2.0	-107.30	372.19	-4.44	-111.74
O=C(NC[C@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349153	0	39	-2.0	-87.36	358.67	-3.17	-90.53
O=C(NC[C@H]1CN(C(=O)C2=CC=C([O-])C=C2Cl)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349218	1	40	-2.0	-95.35	360.91	-2.35	-97.70
N#CC1=CC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C([O-])C=C1N	REAL300029349221	0	43	-2.0	-101.29	380.70	-3.44	-104.73
O=C(CC1=NC([O-])=CS1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349233	0	39	-2.0	-116.64	358.40	-6.03	-122.67
O=C(NC[C@H]1CN(C(=O)C2=C([O-])C=CC=C2F)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349255	0	40	-2.0	-103.27	359.20	-2.50	-105.77
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349258	0	42	-2.0	-103.88	373.46	-5.37	-109.25
O=C(NC[C@H]1CN(C(=O)C2=CC=C(F)C=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349260	0	40	-2.0	-110.95	351.24	-1.47	-112.42
CC1=CC=C(F)C([O-])=C1C(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349308	0	43	-2.0	-105.55	379.16	-1.89	-107.44
O=C(CC1SC(=O)[N-]C1=O)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349398	0	40	-2.0	-91.26	367.26	-6.77	-98.03
O=C(NC[C@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349431	0	40	-2.0	-96.41	359.97	-2.62	-99.03
O=C(NC[C@H]1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349434	1	41	-2.0	-91.26	375.44	-3.99	-95.25
O=C(NC[C@H]1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349440	0	40	-2.0	-111.74	360.87	-1.01	-112.75
CC1=CC(=O)C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029349476	0	41	-2.0	-98.80	357.50	-1.98	-100.78
O=C(C=C([O-])C1=CC=C(O)C=C1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349482	0	45	-2.0	-115.35	389.14	-2.28	-117.63
O=C(NC[C@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349514	0	40	-2.0	-120.22	358.57	-2.19	-122.41
N#CC1=CC=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029349560	0	40	-2.0	-96.62	368.98	-4.31	-100.93
O=C(COC1=NC(=O)[N-]C(=O)N1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349561	0	42	-2.0	-96.21	379.45	-9.67	-105.88
O=C(COC1=NC(=O)NC(=O)[N-]1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029349561	1	42	-2.0	-92.03	379.40	-9.62	-101.65
O=C(NC[C@H]1CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349591	0	42	-2.0	-91.90	374.46	-1.11	-93.01
CN1N=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029349635	0	39	-2.0	-99.78	346.32	-5.59	-105.37
[N-]=[N+]=NC1=CC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=CC=C1[O-]	REAL300029349670	0	42	-2.0	-90.24	373.66	-4.97	-95.21
O=C(NC[C@H]1CN(C(=O)C2=C(F)C=CC(O)=C2O)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349713	0	41	-2.0	-103.02	370.03	-4.34	-107.36
O=C(NC[C@H]1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349713	1	41	-2.0	-103.02	370.03	-4.34	-107.36
N#CC1=CC=C([O-])C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029349724	0	41	-2.0	-103.83	365.54	-1.12	-104.95
O=C(NC[C@H]1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349856	0	40	-2.0	-102.75	363.98	-4.58	-107.33
O=C(NC[C@H]1CN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349893	0	40	-2.0	-98.94	369.49	-1.16	-100.10
O=C(NC[C@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349925	1	40	-2.0	-107.90	349.85	-2.85	-110.75
O=C(NC[C@H]1CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349934	1	45	-2.0	-118.08	387.80	-1.18	-119.26
O=C(NC[C@H]1CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349937	0	42	-2.0	-107.58	373.00	-0.87	-108.45
O=C(NC[C@H]1CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349940	0	42	-2.0	-94.68	375.06	-1.02	-95.70
O=C(NC[C@H]1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349953	1	40	-2.0	-110.78	361.56	-1.02	-111.80
O=C(NC[C@H]1CN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029349974	0	42	-2.0	-100.50	371.69	-2.28	-102.78
O=C(NC[C@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350057	0	38	-2.0	-87.80	342.48	-7.47	-95.27
O=C(NC[C@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350057	1	38	-2.0	-87.80	342.48	-7.47	-95.27
O=C(NC[C@H]1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350091	0	42	-2.0	-104.27	365.85	-3.89	-108.16
O=C(NC[C@H]1CN(C(=O)C2=C(O)C3=CC=CC=C3C=N2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350134	0	45	-2.0	-113.41	386.59	0.26	-113.15
O=C(NC[C@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350134	1	45	-2.0	-113.41	386.59	0.26	-113.15
O=C(NC[C@H]1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350135	0	36	-2.0	-94.79	344.56	-5.12	-99.91
NC1=NC=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029350159	0	40	-2.0	-101.74	357.59	-5.48	-107.22
NC1=NC=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029350159	1	40	-2.0	-101.74	357.59	-5.48	-107.22
CC1=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029350191	0	43	-2.0	-84.21	379.07	-2.51	-86.72
O=C(NC[C@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350272	0	40	-2.0	-92.16	366.12	-2.27	-94.43
O=C(NC[C@H]1CN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350278	0	41	-2.0	-101.27	363.77	-3.43	-104.70
O=C(NC[C@H]1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350278	1	41	-2.0	-101.27	363.77	-3.43	-104.70
O=C(NC[C@H]1CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350287	0	42	-2.0	-98.35	374.08	-4.09	-102.44
O=C(NC[C@H]1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350300	0	39	-2.0	-106.27	356.96	-1.56	-107.83
O=C(CC1=CC=C(O)C(Cl)=C1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350306	0	43	-2.0	-107.16	389.72	-1.22	-108.38
O=C(CC1=CC=C([O-])C(Cl)=C1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350306	1	43	-2.0	-107.16	389.72	-1.22	-108.38
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350368	0	36	-2.0	-95.76	323.47	-5.55	-101.31
CC1SC(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029350403	0	39	-2.0	-94.61	355.42	-5.04	-99.65
CC1=C([O-])N=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029350403	1	39	-2.0	-94.61	355.42	-5.04	-99.65
O=C(NC[C@H]1CN(C(=O)C2=C(O)C=CC3=CC=CC=C32)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350454	0	46	-2.0	-110.04	398.24	-0.26	-110.30
O=C(NC[C@H]1CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350454	1	46	-2.0	-110.04	398.24	-0.26	-110.30
O=C(NC[C@H]1CN(C(=O)C2=C(O)C3=CC=CC=C3C=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350474	0	46	-2.0	-111.72	392.15	0.62	-111.10
O=C(NC[C@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350474	1	46	-2.0	-111.72	392.15	0.62	-111.10
O=C(NC[C@H]1CN(C(=O)C2=CC3=CC=CC=C3C=C2O)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350482	0	46	-2.0	-120.08	391.77	0.65	-119.43
O=C(NC[C@H]1CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350482	1	46	-2.0	-120.08	391.77	0.65	-119.43
O=C(NC[C@H]1CN(C(=O)C(=O)C2=CC=C(O)C=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350534	0	42	-2.0	-95.30	366.25	-2.53	-97.83
O=C(NC[C@H]1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350534	1	42	-2.0	-95.30	366.25	-2.53	-97.83
O=C(NC[C@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350571	0	39	-2.0	-110.23	362.45	-4.67	-114.90
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)C=C(Cl)N2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350606	0	39	-2.0	-89.46	358.75	-2.23	-91.69
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350606	1	39	-2.0	-89.46	358.75	-2.23	-91.69
CSC1=NC=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029350632	0	42	-2.0	-102.05	385.53	-4.31	-106.36
CSC1=NC=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029350632	1	42	-2.0	-102.05	385.53	-4.31	-106.36
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350640	0	40	-2.0	-89.25	360.19	-6.88	-96.13
CCN1[N-]C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029350721	0	43	-2.0	-96.79	373.42	-3.13	-99.92
CN1[N-]C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029350743	0	40	-2.0	-95.89	351.69	-4.06	-99.95
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350760	0	40	-2.0	-97.23	368.70	-6.07	-103.30
CC1=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=S)NC(=O)N1	REAL300029350762	0	42	-2.0	-110.22	381.29	-4.71	-114.93
CC1=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029350762	1	42	-2.0	-110.22	381.29	-4.71	-114.93
O=C(NC[C@H]1CN(C(=O)C2=C(O)C=NC3=CC=CC=C32)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350833	0	45	-2.0	-101.52	393.30	-2.20	-103.72
O=C(NC[C@H]1CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350833	1	45	-2.0	-101.52	393.30	-2.20	-103.72
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H](O)[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029350939	1	40	-2.0	-105.43	352.55	-5.31	-110.74
O=C(NC[C@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029350945	1	40	-2.0	-95.01	349.81	-2.82	-97.83
O=C(NC[C@H]1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029351007	0	40	-2.0	-96.06	355.75	-2.72	-98.78
O=C(NC[C@H]1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029351013	0	39	-2.0	-108.69	356.06	-2.93	-111.62
CC1=C(CC(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029351034	0	46	-2.0	-106.45	395.14	-2.87	-109.32
CC1=CN=C(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029351084	1	42	-2.0	-111.89	362.21	-1.43	-113.32
O=C(NC[C@H]1CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029351099	0	41	-2.0	-102.05	379.65	-4.80	-106.85
O=C(NC[C@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029351120	0	37	-2.0	-103.37	336.38	-3.81	-107.18
O=C(NC[C@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029351142	0	40	-2.0	-115.37	359.73	-2.00	-117.37
O=C(NC[C@H]1CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C[C@H]1O)C1=CC(=O)[N-]O1	REAL300029351148	0	40	-2.0	-98.44	369.50	-1.13	-99.57
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CN([O-])C(=O)NC1=O	REAL300029351200	0	40	-2.0	-91.96	354.22	-4.33	-96.29
O=C(NC[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029351235	1	41	-2.0	-83.34	365.65	-3.77	-87.11
O=C(N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COC(=O)[N-]1	REAL300029351629	1	46	-2.0	-87.04	379.93	-2.80	-89.84
O=C(N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N[N-]1	REAL300029351713	0	47	-2.0	-88.96	384.76	-1.81	-90.77
O=C(N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)N[N-]1	REAL300029351787	0	46	-2.0	-88.38	380.16	-2.55	-90.93
O=C(N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=COC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300029352222	1	46	-2.0	-89.64	379.71	-1.31	-90.95
O=C(N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300029352279	0	47	-2.0	-87.26	384.82	-1.36	-88.62
O=C(N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=NC(=O)N[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300029352292	0	46	-2.0	-86.29	379.47	-2.03	-88.32
O=C(N[C@@H]1CCO[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)[N-]O1	REAL300029352445	0	46	-2.0	-92.99	379.50	-1.32	-94.31
O=C(NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)C1=COC(=O)[N-]1	REAL300029353267	1	43	-2.0	-91.98	373.45	-3.41	-95.39
O=C(CC1=CC(=O)N[N-]1)NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1	REAL300029353346	1	47	-2.0	-104.18	398.76	-1.90	-106.08
CN1N=C(C(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)[N-]C1=O	REAL300029353355	0	46	-2.0	-95.04	395.81	-2.27	-97.31
O=C(NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)C1=C[N-]N=CC1=O	REAL300029353387	0	45	-2.0	-83.96	382.51	-0.26	-84.22
O=C(NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)C1=CC(=O)N[N-]1	REAL300029353421	0	44	-2.0	-104.18	378.09	-2.54	-106.72
O=C(NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)C1=NC(=O)N[N-]1	REAL300029353599	0	43	-2.0	-110.07	372.68	-3.84	-113.91
CN1[N-]C(C(=O)NCC2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)O2)=CC1=O	REAL300029353687	0	47	-2.0	-91.15	401.10	-0.72	-91.87
O=C(NCC1CCCC2(CN(C(=O)C3=NC=CC=C3[O-])C2)O1)C1=CC(=O)[N-]O1	REAL300029354043	1	46	-2.0	-104.46	389.67	1.33	-103.13
O=C(NCC1CCCC2(CN(C(=O)C3=COC(=O)[N-]3)C2)O1)C1=CC(=O)[N-]O1	REAL300029354539	1	43	-2.0	-91.14	373.16	-2.83	-93.97
O=C(NCC1CCCC2(CN(C(=O)C3=C[N-]N=CC3=O)C2)O1)C1=CC(=O)[N-]O1	REAL300029354613	0	45	-2.0	-110.58	381.10	0.32	-110.26
O=C(NCC1CCCC2(CN(C(=O)C3=CC(=O)N[N-]3)C2)O1)C1=CC(=O)[N-]O1	REAL300029354674	0	44	-2.0	-106.72	377.81	-2.40	-109.12
O=C(NCC1CCCC2(CN(C(=O)C3=NC(=O)N[N-]3)C2)O1)C1=CC(=O)[N-]O1	REAL300029354708	0	43	-2.0	-105.17	372.53	-3.42	-108.59
O=C(NCC1CCCC2(CN(C(=O)C3=CN=CC([O-])=C3)C2)O1)C1=CC(=O)[N-]O1	REAL300029354818	1	46	-2.0	-102.68	387.86	-1.18	-103.86
CN1N=C(C(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)[N-]C1=O	REAL300029354929	0	46	-2.0	-114.72	395.27	-2.21	-116.93
O=C(NCC1CCCC2(CN(C(=O)C3=CC=NC=C3[O-])C2)O1)C1=CC(=O)[N-]O1	REAL300029355062	0	46	-2.0	-123.40	385.98	0.46	-122.94
O=C(NCC1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)O1)C1=CC(=O)[N-]O1	REAL300029355065	0	43	-2.0	-93.69	373.03	-1.94	-95.63
CN1[N-]C(C(=O)N2CC3(C2)CCCC(CNC(=O)C2=CC(=O)[N-]O2)O3)=CC1=O	REAL300029355154	0	47	-2.0	-110.08	400.62	-0.70	-110.78
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)CCCC(CNC(=O)C1=CC(=O)[N-]O1)O2	REAL300029355202	1	47	-2.0	-114.43	401.09	-1.85	-116.28
O=C(NCC1CCCC2(CN(C(=O)C3=CC([O-])=CS3)C2)O1)C1=CC(=O)[N-]O1	REAL300029355246	0	44	-2.0	-117.41	385.03	-0.30	-117.71
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300029355709	1	48	-2.0	-102.54	382.16	1.88	-100.66
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300029356676	0	41	-2.0	-102.60	338.73	-2.45	-105.05
O=C(CN1C(=O)[N-]NC1=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029356778	0	43	-2.0	-105.64	356.18	-1.17	-106.81
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300029357485	0	43	-2.0	-112.69	348.26	3.14	-109.55
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300029357616	0	43	-2.0	-96.80	359.41	-1.41	-98.21
O=C(C1=COC(=O)[N-]1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357627	1	39	-2.0	-102.79	323.10	-0.34	-103.13
CCN1[N-]C(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029357820	0	46	-2.0	-104.30	371.83	2.28	-102.02
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357828	1	43	-2.0	-111.23	352.06	0.92	-110.31
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=CC=CC(=S)N1[O-])C2	REAL300029357848	0	43	-2.0	-111.50	368.34	3.73	-107.77
O=C(CC1SC(=O)[N-]C1=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029357859	0	43	-2.0	-92.65	364.56	-1.59	-94.24
CN1N=C(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029357876	0	42	-2.0	-107.06	344.79	-0.23	-107.29
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300029357973	0	41	-2.0	-105.61	341.65	1.25	-104.36
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2	REAL300029358009	0	45	-2.0	-109.02	364.58	2.32	-106.70
O=C(C1=CC(=O)N[N-]1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358094	0	40	-2.0	-100.58	327.29	-0.37	-100.95
C[PH](C)([O-])C(=O)C(=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358099	0	45	-2.0	-108.37	367.19	1.47	-106.90
O=C(CCC1=NC(=O)NN1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358131	0	45	-2.0	-106.08	366.43	-1.06	-107.14
O=C(CCC1=NC(=O)[N-]N1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358131	1	45	-2.0	-106.08	366.43	-1.06	-107.14
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300029358136	0	43	-2.0	-112.26	346.36	2.77	-109.49
CC1SC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029358171	0	42	-2.0	-109.02	354.28	0.25	-108.77
CC1=C([O-])N=C(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029358171	1	42	-2.0	-109.02	354.28	0.25	-108.77
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=CC(=O)C=C(Cl)N1)C2	REAL300029358185	0	42	-2.0	-96.49	357.20	3.01	-93.48
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2	REAL300029358185	1	42	-2.0	-96.49	357.20	3.01	-93.48
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300029358205	0	43	-2.0	-114.75	358.16	3.20	-111.55
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300029358248	0	43	-2.0	-112.02	357.23	3.10	-108.92
NC1=NC([O-])=C(CC(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029358387	0	44	-2.0	-126.35	371.80	-1.55	-127.90
O=C(CC1=NC([O-])=CS1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029358439	0	42	-2.0	-114.04	357.91	0.21	-113.83
CCC1=NC=C(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029358460	0	47	-2.0	-101.10	371.08	1.29	-99.81
CCC1=NC=C(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029358460	1	47	-2.0	-101.10	371.08	1.29	-99.81
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=C(Cl)C(=O)[N-]S1)C2	REAL300029358536	0	39	-2.0	-99.93	343.02	0.26	-99.67
CC1=CC(=O)C(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029358711	0	44	-2.0	-107.26	356.00	3.39	-103.87
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300029358727	0	39	-2.0	-102.23	322.11	-1.17	-103.40
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=CN=C(C=N[O-])S1)C2	REAL300029358861	0	42	-2.0	-106.13	361.05	0.68	-105.45
COC1=NC(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029358877	0	45	-2.0	-102.73	365.32	-2.01	-104.74
CN1[N-]C(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029359056	0	43	-2.0	-103.27	350.02	1.34	-101.93
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029359064	0	43	-2.0	-98.26	367.49	-0.88	-99.14
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300029359239	0	41	-2.0	-101.64	340.26	-2.83	-104.47
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300029359239	1	41	-2.0	-97.32	340.85	-2.07	-99.39
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029359408	0	45	-2.0	-115.04	373.13	0.84	-114.20
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=NC=CC=C2[O-])C1	REAL300029359662	1	42	-2.0	-118.96	339.19	3.12	-115.84
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300029359786	0	41	-2.0	-118.95	339.72	-1.81	-120.76
O=C(CN1C(=O)[N-]NC1=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029359951	0	43	-2.0	-111.06	356.25	-1.05	-112.11
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300029360769	1	48	-2.0	-99.84	387.89	2.00	-97.84
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300029361331	1	43	-2.0	-127.71	360.95	5.00	-122.71
N#CC1=CC([O-])=CC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029361356	1	44	-2.0	-100.09	365.76	3.79	-96.30
CCC1=NC=C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029361435	1	47	-2.0	-98.41	376.81	1.40	-97.01
O=C(C1=COC(=O)[N-]1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361452	1	39	-2.0	-94.96	322.43	-0.55	-95.51
O=C(C[N-]C(=O)C(F)(F)F)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361526	0	42	-2.0	-101.01	360.70	-0.76	-101.77
NC1=NC([O-])=C(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029361527	0	44	-2.0	-127.91	372.82	-0.67	-128.58
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC=C([O-])C=C2F)C1	REAL300029361548	1	43	-2.0	-111.54	348.93	3.36	-108.18
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300029361554	0	42	-2.0	-106.79	348.77	2.80	-103.99
N#CC1=CC=C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1[O-]	REAL300029361562	1	44	-2.0	-113.82	363.05	3.11	-110.71
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300029361566	0	42	-2.0	-122.89	356.32	3.08	-119.81
N#CC1=CC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C(N)[N-]C1=O	REAL300029361569	0	45	-2.0	-104.69	379.85	0.55	-104.14
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361583	0	44	-2.0	-118.03	366.54	-2.17	-120.20
CC1=CC=C([O-])C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300029361647	1	45	-2.0	-120.12	360.80	3.64	-116.48
O=C(CCC1=NNC(=O)[N-]1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361648	0	45	-2.0	-103.08	366.64	-0.52	-103.60
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=C[N-]N=CC2=O)C1	REAL300029361666	0	41	-2.0	-101.29	336.43	1.91	-99.38
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300029361674	0	43	-2.0	-138.67	350.44	4.56	-134.11
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC=CC([O-])=C2F)C1	REAL300029361767	1	43	-2.0	-132.39	350.74	3.43	-128.96
O=C(C1=CC(=O)N[N-]1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361872	0	40	-2.0	-100.78	327.30	-0.40	-101.18
C[PH](C)([O-])C(=O)C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029361877	0	45	-2.0	-117.22	366.90	1.60	-115.62
CN1[N-]C(CC(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029361881	0	46	-2.0	-117.38	373.99	1.61	-115.77
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC(F)=CC(F)=C2[O-])C1	REAL300029361945	0	43	-2.0	-124.85	354.81	4.72	-120.13
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300029361968	0	43	-2.0	-119.70	348.77	3.22	-116.48
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=NC(=O)N[N-]2)C1	REAL300029361997	0	39	-2.0	-97.41	322.08	-1.07	-98.48
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC=CN([O-])C2=O)C1	REAL300029362003	0	43	-2.0	-119.60	353.38	3.97	-115.63
NC1=CC(=O)[N-]C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300029362106	0	43	-2.0	-122.61	352.10	0.20	-122.41
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300029362155	0	43	-2.0	-99.41	358.87	3.25	-96.16
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300029362160	1	43	-2.0	-126.49	350.63	4.55	-121.94
CC1=CC=NC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1[O-]	REAL300029362222	1	45	-2.0	-118.68	359.53	3.77	-114.91
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CN=CC([O-])=C2)C1	REAL300029362337	1	42	-2.0	-110.70	337.92	0.83	-109.87
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300029362347	0	43	-2.0	-123.32	368.43	3.63	-119.69
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300029362460	0	42	-2.0	-92.80	358.14	2.26	-90.54
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300029362504	1	43	-2.0	-108.20	357.36	3.84	-104.36
N#CC1=CC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C([O-])C=C1N	REAL300029362505	0	46	-2.0	-124.08	378.78	2.69	-121.39
O=C(CC1=NC([O-])=CS1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362512	0	42	-2.0	-128.30	357.09	-0.83	-129.13
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362526	0	45	-2.0	-110.81	372.35	-0.19	-111.00
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300029362528	0	43	-2.0	-128.00	348.62	4.66	-123.34
O=C(CC1SC(=O)[N-]C1=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362622	0	43	-2.0	-109.97	365.28	-0.67	-110.64
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300029362643	0	43	-2.0	-109.07	353.48	2.84	-106.23
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300029362650	0	43	-2.0	-131.64	360.25	5.02	-126.62
CC1=CC(=O)C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300029362676	0	44	-2.0	-117.24	356.92	4.06	-113.18
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029362679	0	48	-2.0	-122.49	387.96	2.77	-119.72
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300029362698	0	43	-2.0	-121.26	357.32	3.00	-118.26
N#CC1=CC=C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029362721	0	43	-2.0	-91.72	361.70	0.92	-90.80
CN1N=C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300029362771	0	42	-2.0	-118.28	346.05	0.53	-117.75
[N-]=[N+]=NC1=CC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC=C1[O-]	REAL300029362794	0	45	-2.0	-102.23	371.10	0.46	-101.77
N#CC1=CC=C([O-])C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029362830	0	44	-2.0	-121.87	365.77	4.84	-117.03
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300029362922	0	43	-2.0	-100.24	357.15	0.86	-99.38
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300029362972	1	43	-2.0	-98.42	349.10	2.74	-95.68
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300029362989	1	43	-2.0	-127.87	358.92	5.11	-122.76
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300029363054	0	41	-2.0	-104.25	341.66	-1.15	-105.40
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300029363054	1	41	-2.0	-104.25	341.66	-1.15	-105.40
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC=C3N=NN([O-])C3=C2)C1	REAL300029363068	0	45	-2.0	-100.95	367.10	2.46	-98.49
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=C(Cl)C(=O)[N-]S2)C1	REAL300029363097	0	39	-2.0	-111.41	343.95	1.18	-110.23
NC1=NC=C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300029363111	0	43	-2.0	-109.28	351.38	0.60	-108.68
NC1=NC=C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029363111	1	43	-2.0	-109.28	351.38	0.60	-108.68
CC1=C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C(=O)C(C#N)=C1	REAL300029363134	0	46	-2.0	-88.85	376.75	2.89	-85.96
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC=C3N[N-]N=C3C2=O)C1	REAL300029363195	0	45	-2.0	-94.55	366.95	1.23	-93.32
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300029363201	0	42	-2.0	-114.96	355.39	3.59	-111.37
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029363248	0	39	-2.0	-103.37	322.95	-0.07	-103.44
CC1SC(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300029363269	0	42	-2.0	-106.32	355.48	0.99	-105.33
CC1=C([O-])N=C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029363269	1	42	-2.0	-106.32	355.48	0.99	-105.33
O=C(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C(O)C=C1	REAL300029363359	0	45	-2.0	-105.17	365.34	2.76	-102.41
O=C(C(=O)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([O-])C=C1	REAL300029363359	1	45	-2.0	-105.17	365.34	2.76	-102.41
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300029363382	0	42	-2.0	-110.61	361.00	0.40	-110.21
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC(=O)C=C(Cl)N2)C1	REAL300029363403	0	42	-2.0	-106.71	358.13	4.03	-102.68
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300029363403	1	42	-2.0	-106.71	358.13	4.03	-102.68
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300029363426	0	43	-2.0	-97.75	350.58	-1.83	-99.58
CCN1[N-]C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029363486	0	46	-2.0	-105.62	372.51	2.39	-103.23
CN1[N-]C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029363503	0	43	-2.0	-104.07	350.03	1.31	-102.76
O=C(CSC1=NNC(=O)[N-]1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363513	0	43	-2.0	-110.42	368.40	0.14	-110.28
O=C(CC1=CC(=O)NN1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363633	0	43	-2.0	-115.01	351.23	-0.11	-115.12
O=C(CC1=CC(=O)N[N-]1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029363633	1	43	-2.0	-115.01	351.23	-0.11	-115.12
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC=C(O)C(F)=C2)C1	REAL300029363638	0	43	-2.0	-102.09	349.07	2.76	-99.33
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300029363638	1	43	-2.0	-102.09	349.07	2.76	-99.33
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300029363681	0	43	-2.0	-110.00	357.30	3.59	-106.41
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300029363686	0	42	-2.0	-128.54	355.63	3.10	-125.44
CC1=CN=C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C(O)=C1	REAL300029363736	0	45	-2.0	-120.84	360.63	3.75	-117.09
CC1=CN=C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300029363736	1	45	-2.0	-120.84	360.63	3.75	-117.09
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC([O-])=CS2)C1	REAL300029363757	0	40	-2.0	-124.15	335.59	2.23	-121.92
O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300029363770	0	43	-2.0	-112.65	358.80	4.25	-108.40
O=C(C1=CC(=O)[N-]O1)N1CCCC12CCN(C(=O)C1=CN([O-])C(=O)NC1=O)C2	REAL300029363802	0	43	-2.0	-101.89	363.08	0.78	-101.11
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300029364722	0	44	-2.0	-95.58	372.56	-2.06	-97.64
O=C(CN1C(=O)[N-]NC1=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029364783	0	46	-2.0	-101.86	388.00	-0.30	-102.16
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C3=CN([O-])C(=O)C=C3)C2)C1	REAL300029365211	0	46	-2.0	-102.89	389.70	4.04	-98.85
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300029365299	0	46	-2.0	-90.73	390.27	-0.84	-91.57
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C3=COC(=O)[N-]3)C2)C1	REAL300029365310	1	42	-2.0	-86.83	354.69	0.40	-86.43
CCN1[N-]C(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029365434	0	49	-2.0	-95.78	403.56	3.02	-92.76
O=C(CC1=CC(=O)N[N-]1)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365441	1	46	-2.0	-99.57	383.30	0.80	-98.77
CN1N=C(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300029365468	0	45	-2.0	-99.54	376.46	0.55	-98.99
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300029365531	0	44	-2.0	-83.65	367.37	1.86	-81.79
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300029365602	0	43	-2.0	-89.12	359.21	0.39	-88.73
C[PH](C)([O-])C(=O)C(=O)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365607	0	48	-2.0	-88.77	398.44	1.36	-87.41
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C3=CC=CN([O-])C3=O)C2)C1	REAL300029365632	0	46	-2.0	-119.07	389.13	4.03	-115.04
CC1SC(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NC1=O	REAL300029365653	0	45	-2.0	-93.84	386.25	1.06	-92.78
CC1=C([O-])N=C(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300029365653	1	45	-2.0	-93.84	386.25	1.06	-92.78
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C3=CC(=O)N([O-])C=C3)C2)C1	REAL300029365671	0	46	-2.0	-103.80	390.01	4.07	-99.73
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C3=CC=CC(=O)N3[O-])C2)C1	REAL300029365696	0	46	-2.0	-121.11	388.75	3.73	-117.38
O=C(CC1=NC([O-])=CS1)N1CCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029365815	0	45	-2.0	-109.49	389.14	0.08	-109.41
CC1=CC(=O)C(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N[N-]1	REAL300029365985	0	47	-2.0	-93.98	389.72	3.81	-90.17
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300029365996	0	42	-2.0	-87.86	354.35	-0.23	-88.09
CN1[N-]C(C(=O)N2CCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029366197	0	46	-2.0	-91.83	381.94	2.10	-89.73
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300029366303	0	44	-2.0	-87.59	373.11	-1.29	-88.88
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1	REAL300029366303	1	44	-2.0	-87.59	373.11	-1.29	-88.88
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3=NC=CC=C3O)C2)C1	REAL300029366658	0	45	-2.0	-105.86	371.08	3.65	-102.21
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300029366658	1	45	-2.0	-105.86	371.08	3.65	-102.21
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300029366761	0	44	-2.0	-98.56	370.68	-2.02	-100.58
O=C(CN1C(=O)[N-]NC1=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029366869	0	46	-2.0	-95.27	387.31	-0.38	-95.65
N#CC1=CC([O-])=CC(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029367805	1	47	-2.0	-99.26	394.54	3.31	-95.95
O=C(C1=COC(=O)[N-]1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029367875	1	42	-2.0	-94.32	354.27	-0.53	-94.85
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3=CC=C([O-])C=C3F)C2)C1	REAL300029367948	1	46	-2.0	-93.64	380.81	3.27	-90.37
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3=CC([O-])=CC(=O)O3)C2)C1	REAL300029367953	0	45	-2.0	-93.20	379.49	2.70	-90.50
N#CC1=CC=C(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1[O-]	REAL300029367956	1	47	-2.0	-98.35	393.83	3.39	-94.96
CC1=CC=C([O-])C(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300029368015	1	48	-2.0	-103.78	392.40	4.23	-99.55
O=C(CCC1=NC(=O)[N-]N1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368016	1	48	-2.0	-99.15	397.37	-0.33	-99.48
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300029368027	0	44	-2.0	-93.87	362.49	2.86	-91.01
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3=CC=CC(F)=C3[O-])C2)C1	REAL300029368034	0	46	-2.0	-110.26	380.35	4.79	-105.47
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3=CC=CC([O-])=C3F)C2)C1	REAL300029368106	1	46	-2.0	-105.98	380.65	3.29	-102.69
O=C(C1=CC(=O)N[N-]1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368181	0	43	-2.0	-91.80	359.12	0.03	-91.77
C[PH](C)([O-])C(=O)C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368187	0	48	-2.0	-90.44	392.46	1.16	-89.28
O=C(C1=CC(=O)N([O-])C=C1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368246	0	46	-2.0	-107.00	379.93	3.61	-103.39
O=C(C1=NC(=O)N[N-]1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368263	0	42	-2.0	-93.93	353.86	-0.98	-94.91
O=C(C1=CC=CN([O-])C1=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368268	0	46	-2.0	-116.99	388.60	4.02	-112.97
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3=CC(F)=CC=C3O)C2)C1	REAL300029368388	0	46	-2.0	-100.82	380.56	4.80	-96.02
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3=CC(F)=CC=C3[O-])C2)C1	REAL300029368388	1	46	-2.0	-100.82	380.56	4.80	-96.02
CC1=CC=NC(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1O	REAL300029368435	0	48	-2.0	-103.06	391.12	4.33	-98.73
CC1=CC=NC(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1[O-]	REAL300029368435	1	48	-2.0	-103.06	391.12	4.33	-98.73
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3=CN=CC(O)=C3)C2)C1	REAL300029368503	0	45	-2.0	-94.49	368.82	1.27	-93.22
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3=CN=CC([O-])=C3)C2)C1	REAL300029368503	1	45	-2.0	-94.49	368.82	1.27	-93.22
O=C(CC1=NC([O-])=CS1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368605	0	45	-2.0	-111.44	388.43	-0.04	-111.48
CC1=CC(=O)C(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N[N-]1	REAL300029368728	0	47	-2.0	-95.81	387.58	3.84	-91.97
O=C(C1=CC=CC(=O)N1[O-])N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029368746	0	46	-2.0	-125.22	377.70	4.75	-120.47
N#CC1=CC=C(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300029368766	0	46	-2.0	-93.38	397.62	1.52	-91.86
CN1N=C(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300029368796	0	45	-2.0	-97.96	376.57	0.24	-97.72
N#CC1=CC=C([O-])C(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029368837	0	47	-2.0	-97.86	394.99	5.15	-92.71
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3=CC=C(F)C([O-])=C3)C2)C1	REAL300029368935	1	46	-2.0	-102.87	379.90	3.02	-99.85
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300029368993	0	44	-2.0	-99.68	372.61	-1.80	-101.48
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1	REAL300029368993	1	44	-2.0	-99.68	372.61	-1.80	-101.48
NC1=NC=C(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N1	REAL300029369033	0	46	-2.0	-100.77	386.75	0.57	-100.20
NC1=NC=C(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300029369033	1	46	-2.0	-100.77	386.75	0.57	-100.20
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369130	0	42	-2.0	-103.71	354.46	0.40	-103.31
CC1SC(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NC1=O	REAL300029369147	0	45	-2.0	-95.25	386.12	0.34	-94.91
CC1=C([O-])N=C(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300029369147	1	45	-2.0	-95.25	386.12	0.34	-94.91
O=C(C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=C(O)C=C1	REAL300029369226	0	48	-2.0	-97.08	396.38	3.19	-93.89
O=C(C(=O)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=C([O-])C=C1	REAL300029369226	1	48	-2.0	-97.08	396.38	3.19	-93.89
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300029369264	0	46	-2.0	-88.79	380.06	-1.36	-90.15
CCN1[N-]C(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029369309	0	49	-2.0	-94.85	403.66	2.67	-92.18
CN1[N-]C(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029369325	0	46	-2.0	-94.13	381.85	1.73	-92.40
O=C(CC1=CC(=O)NN1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369415	0	46	-2.0	-100.04	382.55	0.67	-99.37
O=C(CC1=CC(=O)N[N-]1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369415	1	46	-2.0	-100.04	382.55	0.67	-99.37
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3=CC=C(O)C(F)=C3)C2)C1	REAL300029369419	0	46	-2.0	-102.01	379.87	3.06	-98.95
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CN(C(=O)C3=CC=C([O-])C(F)=C3)C2)C1	REAL300029369419	1	46	-2.0	-102.01	379.87	3.06	-98.95
CC1=CN=C(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(O)=C1	REAL300029369488	0	48	-2.0	-107.36	392.53	4.28	-103.08
CC1=CN=C(C(=O)N2CC(C3CCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C([O-])=C1	REAL300029369488	1	48	-2.0	-107.36	392.53	4.28	-103.08
O=C(C1=CC([O-])=CS1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369501	0	43	-2.0	-100.71	366.96	2.27	-98.44
O=C(C1=CN([O-])C(=O)C=C1)N1CC(C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029369514	0	46	-2.0	-105.71	380.46	3.68	-102.03
O=C(CCCN1C(=O)[N-]NC1=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371126	0	45	-2.0	-99.24	387.02	-1.91	-101.15
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371333	0	43	-2.0	-95.53	374.97	-4.55	-100.08
CC(=O)[N-]C1=NC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029371334	1	41	-2.0	-83.69	369.14	-1.03	-84.72
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371485	1	44	-2.0	-100.39	380.66	-0.40	-100.79
COC1=C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029371591	1	42	-2.0	-91.92	364.34	-3.38	-95.30
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]C1=O	REAL300029371700	0	37	-2.0	-95.41	330.38	-4.78	-100.19
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029371816	0	39	-2.0	-99.27	344.40	-3.12	-102.39
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)C=C1	REAL300029372653	0	39	-2.0	-108.08	341.48	1.38	-106.70
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)NC([O-])=C1	REAL300029372812	0	39	-2.0	-87.80	341.94	-3.54	-91.34
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300029372824	1	35	-2.0	-85.91	314.00	-3.69	-89.60
O=C([N-][C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)(F)F	REAL300029372943	0	34	-2.0	-82.13	316.88	-0.42	-82.55
CCN1[N-]C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029373047	0	42	-2.0	-92.18	363.38	-0.05	-92.23
O=C(CC1=CC(=O)N[N-]1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373055	1	39	-2.0	-103.11	339.39	-2.09	-105.20
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=S)N1[O-]	REAL300029373078	0	39	-2.0	-131.61	350.29	3.51	-128.10
O=C(CC1SC(=O)[N-]C1=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373092	0	39	-2.0	-90.09	352.97	-3.55	-93.64
CN1N=C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029373111	0	38	-2.0	-95.66	336.14	-2.50	-98.16
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300029373225	0	37	-2.0	-79.55	323.23	-0.45	-80.00
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C2N=NN([O-])C2=C1	REAL300029373264	0	41	-2.0	-106.95	358.00	-0.14	-107.09
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300029373362	0	36	-2.0	-88.33	318.83	-2.70	-91.03
C[PH](C)([O-])C(=O)C(=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373367	0	41	-2.0	-89.75	357.37	-1.39	-91.14
O=C(CCC1=NC(=O)NN1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373407	0	41	-2.0	-98.25	355.00	-2.94	-101.19
O=C(CCC1=NC(=O)[N-]N1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373407	1	41	-2.0	-98.25	355.00	-2.94	-101.19
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300029373415	0	39	-2.0	-95.35	339.38	1.59	-93.76
CSC1=NC=C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029373434	0	41	-2.0	-85.39	365.53	-0.59	-85.98
CSC1=NC=C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029373434	1	41	-2.0	-85.39	365.53	-0.59	-85.98
CC1SC(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029373458	0	38	-2.0	-91.46	345.61	-2.60	-94.06
CC1=C([O-])N=C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029373458	1	38	-2.0	-91.46	345.61	-2.60	-94.06
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)N1	REAL300029373476	0	38	-2.0	-85.45	348.98	0.59	-84.86
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300029373476	1	38	-2.0	-85.45	348.98	0.59	-84.86
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300029373498	0	39	-2.0	-107.96	341.80	1.34	-106.62
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300029373557	0	39	-2.0	-127.36	339.18	2.46	-124.90
O=C(C[N-]C(=O)C(F)(F)F)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373725	0	38	-2.0	-89.71	348.96	-2.82	-92.53
NC1=NC([O-])=C(CC(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029373726	0	40	-2.0	-112.18	360.40	-3.57	-115.75
O=C(CC1=NC([O-])=CS1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029373785	0	38	-2.0	-115.13	345.24	-2.81	-117.94
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C(Cl)C(=O)[N-]S1	REAL300029373898	0	35	-2.0	-89.68	336.39	-1.40	-91.08
COCC1=NC=C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029374004	0	44	-2.0	-86.09	377.21	-1.89	-87.98
COCC1=NC=C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029374004	1	44	-2.0	-86.09	377.21	-1.89	-87.98
CC1=CC(=O)C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029374103	0	40	-2.0	-93.90	347.58	1.08	-92.82
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)N[N-]1	REAL300029374122	0	35	-2.0	-86.82	313.41	-4.00	-90.82
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029374147	0	40	-2.0	-87.73	355.98	0.30	-87.43
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029374147	1	40	-2.0	-87.73	355.98	0.30	-87.43
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C=N[O-])S1	REAL300029374282	0	38	-2.0	-100.49	354.20	-1.11	-101.60
CN1[N-]C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029374515	0	39	-2.0	-91.25	341.64	-0.99	-92.24
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374527	0	39	-2.0	-94.60	355.82	-2.88	-97.48
CC1=C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)NC(=O)N1	REAL300029374528	0	41	-2.0	-107.05	368.27	-1.37	-108.42
CC1=C(C(=O)N[C@H]2C[C@@H](F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029374528	1	41	-2.0	-107.05	368.27	-1.37	-108.42
O=C([N-][C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)F	REAL300029374661	1	34	-2.0	-82.85	311.88	-0.57	-83.42
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300029374741	0	37	-2.0	-88.31	331.94	-5.76	-94.07
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300029374741	1	37	-2.0	-84.59	332.61	-5.00	-89.59
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O=C(COC1=NC(=O)NC(=O)[N-]1)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374813	1	41	-2.0	-90.93	365.92	-6.42	-97.35
O=C(CN1[N-]C(=O)C=CC1=O)N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029374949	0	41	-2.0	-99.50	360.81	-2.02	-101.52
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029375207	1	38	-2.0	-98.64	331.01	1.44	-97.20
O=C(CCN1C=C[N-]C(=O)C1=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029375324	1	44	-2.0	-97.44	383.58	-0.22	-97.66
CC(=O)[N-]C1=NC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029375336	1	41	-2.0	-83.49	368.96	-0.40	-83.89
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029375367	0	37	-2.0	-95.71	331.61	-4.56	-100.27
COC1=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029375419	1	42	-2.0	-90.65	373.17	-4.66	-95.31
O=C(CN1C(=O)[N-]NC1=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029375585	0	39	-2.0	-99.60	347.64	-2.87	-102.47
O=C(CCCN1C(=O)[N-]NC1=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029376543	0	45	-2.0	-93.26	390.15	-1.63	-94.89
O=C(CCC1=NNC(=O)[N-]C1=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377573	0	43	-2.0	-94.36	377.82	-4.35	-98.71
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029377583	0	41	-2.0	-94.04	365.36	2.61	-91.43
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029377597	1	39	-2.0	-100.13	356.70	1.64	-98.49
N#CC1=CC([O-])=CC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029377628	1	40	-2.0	-92.63	360.27	1.15	-91.48
NC1=CC=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1Cl	REAL300029377653	0	41	-2.0	-104.12	367.29	0.03	-104.09
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029377715	0	41	-2.0	-112.95	364.91	2.81	-110.14
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029377769	1	35	-2.0	-85.94	314.02	-2.11	-88.05
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300029377846	0	41	-2.0	-109.52	368.71	1.65	-107.87
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377864	0	38	-2.0	-89.89	352.05	-2.57	-92.46
NC1=NC([O-])=C(CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029377865	0	40	-2.0	-112.65	363.34	-3.38	-116.03
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300029377876	0	39	-2.0	-87.30	355.66	1.02	-86.28
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300029377897	1	39	-2.0	-93.03	345.53	0.84	-92.19
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300029377905	0	38	-2.0	-88.28	341.23	0.22	-88.06
N#CC1=CC=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300029377915	1	40	-2.0	-97.95	358.94	1.18	-96.77
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029377919	0	38	-2.0	-98.56	349.60	-0.05	-98.61
N#CC1=CC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C(N)[N-]C1=O	REAL300029377926	0	41	-2.0	-89.11	370.38	-2.15	-91.26
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029377943	0	40	-2.0	-104.40	358.03	-4.00	-108.40
CC1=CC=C([O-])C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029378025	1	41	-2.0	-101.42	355.23	1.47	-99.95
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300029378051	0	37	-2.0	-91.12	332.15	-0.70	-91.82
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029378064	0	39	-2.0	-112.00	345.10	1.17	-110.83
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029378186	1	39	-2.0	-106.15	345.37	0.84	-105.31
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029378265	0	41	-2.0	-88.88	364.74	2.53	-86.35
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029378330	0	36	-2.0	-88.48	318.83	-2.18	-90.66
C[PH](C)([O-])C(=O)C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029378338	0	41	-2.0	-90.59	357.97	-1.25	-91.84
COCC1=NC=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029378402	0	44	-2.0	-100.58	386.18	-2.13	-102.71
COCC1=NC=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029378402	1	44	-2.0	-100.58	386.18	-2.13	-102.71
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300029378461	0	39	-2.0	-111.04	344.11	1.27	-109.77
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NNC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029378496	0	35	-2.0	-92.32	313.32	-3.69	-96.01
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=C(O)C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300029378501	0	39	-2.0	-97.86	358.62	1.41	-96.45
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300029378501	1	39	-2.0	-97.86	358.62	1.41	-96.45
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300029378509	0	39	-2.0	-117.31	348.46	1.43	-115.88
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=C(F)C=CC(O)=C2F)C1)C1=CC(=O)[N-]O1	REAL300029378543	0	39	-2.0	-95.94	355.46	1.00	-94.94
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029378543	1	39	-2.0	-95.94	355.46	1.00	-94.94
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(F)=CC=C2O)C1)C1=CC(=O)[N-]O1	REAL300029378733	0	39	-2.0	-99.84	346.38	1.18	-98.66
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029378733	1	39	-2.0	-99.84	346.38	1.18	-98.66
CC1=CC=NC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1O	REAL300029378823	0	41	-2.0	-98.76	351.33	2.13	-96.63
CC1=CC=NC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029378823	1	41	-2.0	-98.76	351.33	2.13	-96.63
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029378992	1	38	-2.0	-95.25	334.23	-1.12	-96.37
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300029379005	0	39	-2.0	-127.54	360.11	1.87	-125.67
NC1=CC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC([O-])=C1Cl	REAL300029379159	1	41	-2.0	-89.56	366.48	-0.81	-90.37
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=CC(=O)[N-]O1	REAL300029379164	0	38	-2.0	-92.80	349.43	0.27	-92.53
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300029379226	1	39	-2.0	-98.48	355.25	1.30	-97.18
N#CC1=CC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C([O-])C=C1N	REAL300029379229	0	42	-2.0	-98.52	372.45	-0.15	-98.67
O=C(CC1=NC([O-])=CS1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379241	0	38	-2.0	-113.38	348.43	-2.50	-115.88
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=CC(=O)[N-]O1	REAL300029379262	0	39	-2.0	-99.15	349.12	1.02	-98.13
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379265	0	41	-2.0	-99.50	363.72	-1.89	-101.39
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029379267	0	39	-2.0	-102.69	346.37	1.19	-101.50
CC1=CC=C(F)C([O-])=C1C(=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379314	0	42	-2.0	-103.00	368.56	1.59	-101.41
O=C(CC1SC(=O)[N-]C1=O)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379402	0	39	-2.0	-86.85	355.69	-3.27	-90.12
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=CC(=O)[N-]O1	REAL300029379434	0	39	-2.0	-100.65	351.40	0.92	-99.73
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029379437	1	40	-2.0	-81.47	357.57	-0.68	-82.15
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029379443	0	39	-2.0	-106.45	354.90	1.64	-104.81
CC1=CC(=O)C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029379479	0	40	-2.0	-95.39	348.80	1.30	-94.09
O=C(C=C([O-])C1=CC=C(O)C=C1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379485	0	44	-2.0	-110.55	379.31	1.17	-109.38
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300029379515	0	39	-2.0	-123.29	349.00	1.24	-122.05
N#CC1=CC=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029379557	0	39	-2.0	-96.44	358.17	-0.85	-97.29
O=C(COC1=NC(=O)[N-]C(=O)N1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029379558	0	41	-2.0	-93.96	368.82	-6.25	-100.21
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O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300029379587	0	41	-2.0	-88.77	364.41	2.24	-86.53
CN1N=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029379631	0	38	-2.0	-95.87	336.28	-2.01	-97.88
[N-]=[N+]=NC1=CC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC=C1[O-]	REAL300029379664	0	41	-2.0	-90.07	366.66	-1.41	-91.48
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C1=CC(=O)[N-]O1	REAL300029379706	0	40	-2.0	-102.77	359.83	-0.89	-103.66
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029379706	1	40	-2.0	-102.77	359.83	-0.89	-103.66
N#CC1=CC=C([O-])C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029379716	0	40	-2.0	-96.63	360.81	1.54	-95.09
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=CC(=O)[N-]O1	REAL300029379841	0	39	-2.0	-93.02	353.56	-1.19	-94.21
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029379906	1	39	-2.0	-91.54	345.63	0.83	-90.71
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029379917	0	41	-2.0	-100.13	368.12	1.81	-98.32
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029379920	0	41	-2.0	-93.86	368.13	1.82	-92.04
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029379933	1	39	-2.0	-102.16	356.69	1.63	-100.53
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029379954	0	41	-2.0	-84.91	367.58	1.44	-83.47
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300029380031	0	37	-2.0	-86.35	336.51	-5.14	-91.49
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029380031	1	37	-2.0	-86.35	336.51	-5.14	-91.49
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1)C1=CC(=O)[N-]O1	REAL300029380065	0	41	-2.0	-92.06	361.70	-0.18	-92.24
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=CC(=O)[N-]O1	REAL300029380106	0	35	-2.0	-90.21	338.45	-1.44	-91.65
CC1=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029380160	0	42	-2.0	-84.16	371.62	0.76	-83.40
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029380240	0	40	-2.0	-87.19	360.52	0.29	-86.90
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029380240	1	40	-2.0	-87.19	360.52	0.29	-86.90
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1)C1=CC(=O)[N-]O1	REAL300029380248	0	41	-2.0	-93.20	357.82	-0.60	-93.80
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029380261	0	38	-2.0	-94.77	347.21	1.95	-92.82
O=C(CC1=CC=C(O)C(Cl)=C1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380267	0	42	-2.0	-103.86	379.59	2.33	-101.53
O=C(CC1=CC=C([O-])C(Cl)=C1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380267	1	42	-2.0	-103.86	379.59	2.33	-101.53
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300029380329	0	35	-2.0	-91.76	313.56	-2.21	-93.97
CC1SC(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029380363	0	38	-2.0	-91.62	345.83	-1.41	-93.03
CC1=C([O-])N=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029380363	1	38	-2.0	-91.62	345.83	-1.41	-93.03
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=C(O)C=CC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300029380411	0	45	-2.0	-105.10	388.09	3.17	-101.93
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300029380411	1	45	-2.0	-105.10	388.09	3.17	-101.93
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=C(O)C3=CC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029380430	0	45	-2.0	-111.97	383.88	3.53	-108.44
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029380430	1	45	-2.0	-111.97	383.88	3.53	-108.44
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC3=CC=CC=C3C=C2O)C1)C1=CC(=O)[N-]O1	REAL300029380438	0	45	-2.0	-113.59	386.06	3.48	-110.11
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029380438	1	45	-2.0	-113.59	386.06	3.48	-110.11
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C(=O)C2=CC=C(O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300029380485	0	41	-2.0	-90.75	365.30	0.78	-89.97
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300029380485	1	41	-2.0	-90.75	365.30	0.78	-89.97
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=CC(=O)[N-]O1	REAL300029380519	0	38	-2.0	-100.07	355.10	-1.15	-101.22
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)C=C(Cl)N2)C1)C1=CC(=O)[N-]O1	REAL300029380552	0	38	-2.0	-85.98	351.03	1.19	-84.79
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029380552	1	38	-2.0	-85.98	351.03	1.19	-84.79
CSC1=NC=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029380577	0	41	-2.0	-101.33	374.78	-0.85	-102.18
CSC1=NC=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029380577	1	41	-2.0	-101.33	374.78	-0.85	-102.18
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029380584	0	39	-2.0	-87.35	349.90	-3.41	-90.76
CCN1[N-]C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029380664	0	42	-2.0	-91.81	363.18	0.43	-91.38
CN1[N-]C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029380686	0	39	-2.0	-90.92	341.45	-0.51	-91.43
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380703	0	39	-2.0	-93.33	358.91	-2.54	-95.87
CC1=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)NC(=O)N1	REAL300029380705	0	41	-2.0	-108.62	371.15	-1.26	-109.88
CC1=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029380705	1	41	-2.0	-108.62	371.15	-1.26	-109.88
O=C(CC1=CC(=O)N[N-]1)N1C[C@H](F)C[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029380878	1	39	-2.0	-101.82	342.60	-1.78	-103.60
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029380884	1	39	-2.0	-91.85	345.59	0.86	-90.99
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029380945	0	39	-2.0	-92.40	351.16	0.89	-91.51
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029380951	0	38	-2.0	-103.24	350.14	-0.36	-103.60
CC1=C(CC(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029380971	0	45	-2.0	-102.20	386.19	0.65	-101.55
CC1=CN=C(C(=O)N2C[C@H](F)C[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029381019	1	41	-2.0	-108.20	355.03	1.54	-106.66
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029381033	0	40	-2.0	-99.46	369.58	-1.27	-100.73
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300029381053	0	36	-2.0	-98.99	329.14	-0.30	-99.29
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300029381075	0	39	-2.0	-99.40	348.92	1.45	-97.95
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)NC1=O	REAL300029381127	0	39	-2.0	-88.12	344.64	-0.92	-89.04
O=C(N[C@H]1C[C@@H](F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029381161	1	40	-2.0	-78.36	355.59	-0.28	-78.64
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NNC(=O)[N-]C1=O	REAL300029382013	0	46	-2.0	-93.94	385.25	-2.85	-96.79
O=C(CN1C(=O)[N-]NC1=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382066	0	48	-2.0	-95.18	399.73	-1.05	-96.23
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN([O-])C(=O)C=C1	REAL300029382467	0	48	-2.0	-106.16	396.32	3.26	-102.90
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)NC([O-])=C1	REAL300029382549	0	48	-2.0	-86.96	397.14	-1.47	-88.43
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COC(=O)[N-]1	REAL300029382560	1	44	-2.0	-87.12	369.22	-1.63	-88.75
CCN1[N-]C(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029382681	0	51	-2.0	-92.60	418.23	1.84	-90.76
O=C(CC1=CC(=O)N[N-]1)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382688	1	48	-2.0	-97.89	394.71	-0.01	-97.90
CN1N=C(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300029382711	0	47	-2.0	-95.38	391.39	-0.45	-95.83
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=C[N-]N=CC1=O	REAL300029382770	0	46	-2.0	-82.41	377.91	1.37	-81.04
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N[N-]1	REAL300029382840	0	45	-2.0	-87.62	374.04	-0.65	-88.27
C[PH](C)([O-])C(=O)C(=O)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029382845	0	50	-2.0	-87.39	412.37	0.57	-86.82
CN1[N-]C(CC(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029382847	0	51	-2.0	-100.15	417.54	1.71	-98.44
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CN([O-])C1=O	REAL300029382869	0	48	-2.0	-97.70	393.95	3.47	-94.23
CC1=C([O-])N=C(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300029382890	1	47	-2.0	-93.21	400.59	-0.52	-93.73
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N([O-])C=C1	REAL300029382907	0	48	-2.0	-106.42	397.08	3.41	-103.01
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC(=O)N1[O-]	REAL300029382932	0	48	-2.0	-121.09	393.77	4.29	-116.80
O=C(CC1=NC([O-])=CS1)NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029383047	0	47	-2.0	-109.99	400.20	-0.88	-110.87
CC1=CC(=O)C(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300029383205	0	49	-2.0	-91.66	402.76	3.14	-88.52
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)N[N-]1	REAL300029383215	0	44	-2.0	-89.31	368.66	-1.94	-91.25
CN1[N-]C(C(=O)NCCCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029383401	0	48	-2.0	-90.33	396.86	1.06	-89.27
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)[N-]C(=O)N1	REAL300029383498	0	46	-2.0	-86.25	387.46	-3.10	-89.35
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)NC(=O)[N-]1	REAL300029383498	1	46	-2.0	-86.25	387.46	-3.10	-89.35
O=C(NCCCC1CCN(C(=O)C2=NC=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029383850	1	47	-2.0	-102.00	385.99	3.41	-98.59
O=C(NCCCC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1)C1=CC(=O)[N-]O1	REAL300029383949	0	46	-2.0	-93.85	386.61	-2.61	-96.46
O=C(CN1C(=O)[N-]NC1=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029384044	0	48	-2.0	-94.09	402.56	-0.93	-95.02
N#CC1=CC([O-])=CC(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029384901	1	49	-2.0	-84.63	413.71	3.04	-81.59
O=C(NCCCC1CCN(C(=O)C2=COC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300029384969	1	44	-2.0	-88.00	368.75	-0.16	-88.16
O=C(NCCCC1CCN(C(=O)C2=CC=C([O-])C=C2F)CC1)C1=CC(=O)[N-]O1	REAL300029385039	1	48	-2.0	-91.53	399.90	2.79	-88.74
O=C(NCCCC1CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1)C1=CC(=O)[N-]O1	REAL300029385043	0	47	-2.0	-90.21	396.33	2.17	-88.04
N#CC1=CC=C(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)C=C1[O-]	REAL300029385046	1	49	-2.0	-86.89	412.79	3.09	-83.80
CC1=CC=C([O-])C(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029385099	1	50	-2.0	-102.83	407.60	3.99	-98.84
O=C(NCCCC1CCN(C(=O)C2=C[N-]N=CC2=O)CC1)C1=CC(=O)[N-]O1	REAL300029385110	0	46	-2.0	-82.56	381.42	1.22	-81.34
O=C(NCCCC1CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029385117	0	48	-2.0	-107.71	399.63	3.62	-104.09
O=C(NCCCC1CCN(C(=O)C2=CC=CC([O-])=C2F)CC1)C1=CC(=O)[N-]O1	REAL300029385182	1	48	-2.0	-103.71	399.62	2.77	-100.94
O=C(NCCCC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300029385254	0	45	-2.0	-87.65	373.88	-0.23	-87.88
C[PH](C)([O-])C(=O)C(=O)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029385259	0	50	-2.0	-87.93	412.97	0.70	-87.23
O=C(NCCCC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1)C1=CC(=O)[N-]O1	REAL300029385313	0	48	-2.0	-104.15	399.21	3.22	-100.93
O=C(NCCCC1CCN(C(=O)C2=NC(=O)N[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300029385330	0	44	-2.0	-87.84	368.26	-0.87	-88.71
O=C(NCCCC1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1)C1=CC(=O)[N-]O1	REAL300029385335	0	48	-2.0	-104.82	399.69	3.19	-101.63
O=C(NCCCC1CCN(C(=O)C2=CC(F)=CC=C2O)CC1)C1=CC(=O)[N-]O1	REAL300029385448	0	48	-2.0	-98.29	399.76	3.63	-94.66
O=C(NCCCC1CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029385448	1	48	-2.0	-98.29	399.76	3.63	-94.66
CC1=CC=NC(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)=C1O	REAL300029385491	0	50	-2.0	-101.85	406.33	4.09	-97.76
CC1=CC=NC(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)=C1[O-]	REAL300029385491	1	50	-2.0	-101.85	406.33	4.09	-97.76
O=C(NCCCC1CCN(C(=O)C2=CN=CC(O)=C2)CC1)C1=CC(=O)[N-]O1	REAL300029385551	0	47	-2.0	-89.90	389.28	0.94	-88.96
O=C(NCCCC1CCN(C(=O)C2=CN=CC([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300029385551	1	47	-2.0	-89.90	389.28	0.94	-88.96
O=C(CC1=NC([O-])=CS1)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029385647	0	47	-2.0	-107.24	403.44	-0.55	-107.79
CC1=CC(=O)C(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300029385756	0	49	-2.0	-92.17	402.75	3.46	-88.71
O=C(NCCCC1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029385771	0	48	-2.0	-121.08	398.69	3.84	-117.24
N#CC1=CC=C(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300029385790	0	48	-2.0	-84.17	405.47	0.96	-83.21
CN1N=C(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300029385818	0	47	-2.0	-94.67	391.17	-0.08	-94.75
N#CC1=CC=C(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)C([O-])=C1	REAL300029385851	0	49	-2.0	-99.23	414.42	3.95	-95.28
N#CC1=CC=C([O-])C(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029385857	0	49	-2.0	-94.69	414.75	3.41	-91.28
O=C(NCCCC1CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300029385949	1	48	-2.0	-90.87	399.34	2.74	-88.13
O=C(NCCCC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL300029386001	0	46	-2.0	-83.61	387.99	-1.97	-85.58
O=C(NCCCC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300029386001	1	46	-2.0	-83.61	387.99	-1.97	-85.58
NC1=NC=C(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N1	REAL300029386037	0	48	-2.0	-89.45	394.13	-0.20	-89.65
NC1=NC=C(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300029386037	1	48	-2.0	-89.45	394.13	-0.20	-89.65
O=C(NCCCC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)[N-]O1	REAL300029386128	0	44	-2.0	-91.69	368.79	-0.17	-91.86
CC1SC(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)=NC1=O	REAL300029386145	0	47	-2.0	-91.94	400.64	0.56	-91.38
CC1=C([O-])N=C(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300029386145	1	47	-2.0	-91.94	400.64	0.56	-91.38
O=C(NCCCC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300029386247	0	48	-2.0	-88.03	404.87	-1.47	-89.50
CCN1[N-]C(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029386289	0	51	-2.0	-91.10	418.40	2.43	-88.67
CN1[N-]C(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029386305	0	48	-2.0	-90.57	396.29	1.43	-89.14
O=C(CC1=CC(=O)NN1)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029386391	0	48	-2.0	-96.16	397.56	0.15	-96.01
O=C(CC1=CC(=O)N[N-]1)N1CCC(CCCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029386391	1	48	-2.0	-96.16	397.56	0.15	-96.01
O=C(NCCCC1CCN(C(=O)C2=CC=C(O)C(F)=C2)CC1)C1=CC(=O)[N-]O1	REAL300029386395	0	48	-2.0	-91.12	398.80	2.75	-88.37
O=C(NCCCC1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1)C1=CC(=O)[N-]O1	REAL300029386395	1	48	-2.0	-91.12	398.80	2.75	-88.37
CC1=CN=C(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)C(O)=C1	REAL300029386458	0	50	-2.0	-103.57	407.46	4.04	-99.53
CC1=CN=C(C(=O)N2CCC(CCCNC(=O)C3=CC(=O)[N-]O3)CC2)C([O-])=C1	REAL300029386458	1	50	-2.0	-103.57	407.46	4.04	-99.53
O=C(NCCCC1CCN(C(=O)C2=CC([O-])=CS2)CC1)C1=CC(=O)[N-]O1	REAL300029386471	0	45	-2.0	-98.97	384.12	1.64	-97.33
O=C(NCCCC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1)C1=CC(=O)[N-]O1	REAL300029386483	0	48	-2.0	-105.02	401.28	3.30	-101.72
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1C1CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300029386907	1	48	-2.0	-96.78	379.86	1.32	-95.46
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1C1CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300029386998	0	49	-2.0	-92.43	384.80	1.26	-91.17
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1C1CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300029387080	0	48	-2.0	-95.49	379.52	0.60	-94.89
CC1(C)CN(C(=O)C2=COC(=O)[N-]2)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387514	1	48	-2.0	-87.11	380.15	0.33	-86.78
CC1(C)CN(C(=O)C2=CC(=O)N[N-]2)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387576	0	49	-2.0	-107.21	386.64	1.47	-105.74
CC1(C)CN(C(=O)C2=NNC(=O)[N-]2)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387587	0	48	-2.0	-92.18	379.57	-0.52	-92.70
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)C1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029387732	0	48	-2.0	-91.69	380.00	1.31	-90.38
CC1(C)C(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029388283	1	47	-2.0	-89.21	385.89	1.41	-87.80
CC1(C)C(NC(=O)CCCN2C(=O)[N-]NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029388874	0	48	-2.0	-89.46	397.72	-0.91	-90.37
CC1(C)C(NC(=O)CCC2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029389065	0	46	-2.0	-88.61	386.33	-3.51	-92.12
CC(=O)[N-]C1=NC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)=CS1	REAL300029389066	1	44	-2.0	-84.02	379.71	-0.12	-84.14
CC1(C)C(NC(=O)CCN2C=C[N-]C(=O)C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029389212	1	47	-2.0	-94.98	392.07	0.63	-94.35
COC1=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)NC(=O)[N-]C1=O	REAL300029389314	1	45	-2.0	-89.96	374.95	-2.49	-92.45
CC1(C)C(NC(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029389423	0	40	-2.0	-87.90	341.17	-3.78	-91.68
CC1(C)C(NC(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029389526	0	42	-2.0	-89.71	355.01	-2.24	-91.95
CC1(C)C(NC(=O)C2=CN([O-])C(=O)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390316	0	42	-2.0	-99.60	352.11	2.25	-97.35
CC1(C)C(NC(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390471	0	42	-2.0	-84.82	352.62	-2.53	-87.35
CC1(C)C(NC(=O)C2=COC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390483	1	38	-2.0	-84.12	324.67	-2.83	-86.95
CCN1[N-]C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)=CC1=O	REAL300029390696	0	45	-2.0	-87.80	374.14	0.94	-86.86
CC1(C)C(NC(=O)CC2=CC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390704	1	42	-2.0	-91.81	350.27	-1.07	-92.88
CC1(C)C(NC(=O)C2=CC=CC(=S)N2[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390725	0	42	-2.0	-113.07	360.81	4.39	-108.68
CC1(C)C(NC(=O)CC2SC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390739	0	42	-2.0	-84.65	363.40	-2.56	-87.21
CN1N=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)[N-]C1=O	REAL300029390755	0	41	-2.0	-90.28	346.84	-1.48	-91.76
CC1(C)C(NC(=O)C2=C[N-]N=CC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390869	0	40	-2.0	-80.39	333.84	0.45	-79.94
CC1(C)C(NC(=O)C2=CC=C3N=NN([O-])C3=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390906	0	44	-2.0	-95.28	369.64	1.01	-94.27
CC1=C(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C(=O)N(C)[N-]1	REAL300029390916	0	48	-2.0	-93.19	392.78	1.24	-91.95
CC1(C)C(NC(=O)C2=CC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390995	0	39	-2.0	-84.76	329.60	-1.70	-86.46
CC1(C)C(NC(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029390999	0	44	-2.0	-82.16	363.43	-0.29	-82.45
CN1[N-]C(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)=CC1=O	REAL300029391002	0	45	-2.0	-93.67	373.02	0.66	-93.01
CC1(C)C(NC(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391042	0	42	-2.0	-103.03	349.78	2.55	-100.48
CSC1=NC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C(=O)[N-]1	REAL300029391061	1	44	-2.0	-88.90	375.90	0.36	-88.54
CC1=C([O-])N=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)S1	REAL300029391082	1	41	-2.0	-95.35	356.39	-1.61	-96.96
CC1(C)C(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391101	1	41	-2.0	-81.78	359.76	1.57	-80.21
CC1(C)C(NC(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391119	0	42	-2.0	-100.18	352.61	2.37	-97.81
CC1(C)C(NC(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391174	0	42	-2.0	-110.28	349.70	3.35	-106.93
CC1(C)C(NC(=O)C[N-]C(=O)C(F)(F)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391329	0	41	-2.0	-85.14	360.88	-1.59	-86.73
CC1(C)C(NC(=O)CC2=C([O-])N=C(N)S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391330	0	43	-2.0	-100.44	370.86	-2.65	-103.09
CC1(C)C(NC(=O)CC2=NC([O-])=CS2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391387	0	41	-2.0	-103.20	356.13	-1.80	-105.00
CCC1=NC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C(=O)[N-]1	REAL300029391408	1	46	-2.0	-87.81	374.65	0.82	-86.99
CC1(C)C(NC(=O)CN2N=CC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391421	0	43	-2.0	-92.17	365.54	-3.22	-95.39
CC1(C)C(NC(=O)C2=C(Cl)C(=O)[N-]S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391494	0	38	-2.0	-85.53	347.16	-0.39	-85.92
COCC1=NC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C(=O)N1	REAL300029391590	0	47	-2.0	-88.51	387.58	-0.94	-89.45
COCC1=NC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C(=O)[N-]1	REAL300029391590	1	47	-2.0	-88.51	387.58	-0.94	-89.45
CC1=CC(=O)C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)=N[N-]1	REAL300029391685	0	43	-2.0	-86.58	358.25	1.95	-84.63
CC1(C)C(NC(=O)C2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391701	0	38	-2.0	-87.70	324.09	-3.15	-90.85
CC1(C)C(NC(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391718	0	43	-2.0	-85.97	366.77	1.34	-84.63
CC1(C)C(NC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391718	1	43	-2.0	-85.97	366.77	1.34	-84.63
CC1(C)C(NC(=O)C2=CN=C(C=N[O-])S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029391842	0	41	-2.0	-96.85	364.97	-0.10	-96.95
COC1=NC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)=CC(=O)[N-]1	REAL300029391862	0	44	-2.0	-87.91	370.32	-3.67	-91.58
CN1[N-]C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)=CC1=O	REAL300029392063	0	42	-2.0	-87.14	352.33	0.01	-87.13
CC1(C)C(NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029392074	0	42	-2.0	-89.17	367.42	-1.74	-90.91
CC1(C)C(NC(=O)C2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029392267	0	40	-2.0	-90.83	343.56	-4.61	-95.44
CC1(C)C(NC(=O)C2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029392267	1	40	-2.0	-83.20	343.37	-4.01	-87.21
CC1(C)C(NC(=O)COC2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029392333	0	44	-2.0	-91.39	377.33	-5.44	-96.83
CC1(C)C(NC(=O)COC2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029392333	1	44	-2.0	-84.46	377.26	-5.40	-89.86
CC1(C)C(NC(=O)CN2[N-]C(=O)C=CC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029392468	0	44	-2.0	-90.11	371.31	-1.12	-91.23
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300029392723	1	41	-2.0	-97.67	341.14	2.24	-95.43
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300029392839	1	47	-2.0	-96.76	394.29	0.61	-96.15
CC(=O)[N-]C1=NC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)=CS1	REAL300029392851	1	44	-2.0	-83.18	379.43	0.44	-82.74
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300029392879	0	40	-2.0	-89.73	340.82	-3.54	-93.27
COC1=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)NC(=O)[N-]C1=O	REAL300029392928	1	45	-2.0	-87.39	374.46	-2.52	-89.91
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300029393088	0	42	-2.0	-92.01	358.32	-2.03	-94.04
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCN1C(=O)[N-]NC1=O	REAL300029394006	0	48	-2.0	-95.04	400.11	-0.74	-95.78
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300029394207	1	47	-2.0	-94.01	395.16	0.99	-93.02
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300029394979	0	46	-2.0	-92.52	387.81	-3.48	-96.00
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300029394987	0	44	-2.0	-88.88	371.03	3.32	-85.56
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300029395001	1	42	-2.0	-93.62	360.01	3.47	-90.15
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300029395032	1	43	-2.0	-84.98	366.03	1.87	-83.11
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(N)C(Cl)=C1[O-]	REAL300029395058	0	44	-2.0	-98.73	371.45	1.43	-97.30
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300029395109	0	44	-2.0	-98.94	372.31	4.16	-94.78
CCC1=NC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C(=O)[N-]1	REAL300029395138	1	46	-2.0	-81.33	360.12	-2.23	-83.56
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300029395159	1	38	-2.0	-86.59	324.49	-1.49	-88.08
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300029395260	0	41	-2.0	-84.88	362.77	-1.75	-86.63
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300029395261	0	43	-2.0	-106.53	373.88	-2.55	-109.08
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C=C1F	REAL300029395288	1	42	-2.0	-87.31	351.77	1.45	-85.86
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300029395297	0	41	-2.0	-86.21	349.58	1.03	-85.18
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300029395307	1	43	-2.0	-91.20	365.32	1.92	-89.28
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300029395313	0	41	-2.0	-90.40	354.60	1.63	-88.77
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1	REAL300029395316	0	44	-2.0	-87.36	380.31	-1.29	-88.65
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300029395332	0	43	-2.0	-96.79	368.57	-3.15	-99.94
CC1=CC=C([O-])C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)=N1	REAL300029395418	1	44	-2.0	-97.67	362.51	2.70	-94.97
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300029395442	0	40	-2.0	-83.79	343.40	0.21	-83.58
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300029395453	0	42	-2.0	-99.36	352.44	2.85	-96.51
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC([O-])=C1F	REAL300029395570	1	42	-2.0	-96.63	352.69	1.63	-95.00
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300029395641	0	44	-2.0	-92.30	370.83	3.31	-88.99
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300029395704	0	39	-2.0	-85.60	329.28	-1.36	-86.96
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300029395711	0	44	-2.0	-82.88	363.53	-0.18	-83.06
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)C=C([O-])C1=CC=CC=N1	REAL300029395738	0	47	-2.0	-102.29	396.81	3.31	-98.98
COCC1=NC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C(=O)N1	REAL300029395771	0	47	-2.0	-83.37	373.05	-3.99	-87.36
COCC1=NC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C(=O)[N-]1	REAL300029395771	1	47	-2.0	-83.37	373.05	-3.99	-87.36
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300029395824	0	42	-2.0	-100.68	350.58	2.05	-98.63
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL300029395857	0	42	-2.0	-91.14	364.08	1.57	-89.57
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300029395859	0	38	-2.0	-83.42	323.80	-2.22	-85.64
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300029395871	0	42	-2.0	-109.24	359.29	2.17	-107.07
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(N)=CC(=O)[N-]1	REAL300029396007	0	42	-2.0	-93.78	353.37	-1.66	-95.44
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300029396071	0	42	-2.0	-86.66	361.06	2.06	-84.60
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300029396077	1	42	-2.0	-93.23	349.71	3.00	-90.23
CC1=CC=NC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)=C1[O-]	REAL300029396162	1	44	-2.0	-97.65	361.57	2.91	-94.74
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300029396218	0	42	-2.0	-96.89	365.28	3.52	-93.37
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=CC([O-])=C1	REAL300029396330	1	41	-2.0	-90.64	339.75	-0.35	-90.99
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300029396342	0	42	-2.0	-107.25	370.57	2.76	-104.49
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300029396495	1	44	-2.0	-90.22	373.84	-0.04	-90.26
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300029396499	0	41	-2.0	-80.59	359.32	1.01	-79.58
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300029396562	1	42	-2.0	-86.14	361.18	1.89	-84.25
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300029396564	0	45	-2.0	-92.88	376.65	1.23	-91.65
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=NC([O-])=CS1	REAL300029396574	0	41	-2.0	-105.22	359.06	-1.68	-106.90
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300029396597	0	44	-2.0	-91.69	374.33	-1.04	-92.73
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300029396600	0	42	-2.0	-96.15	351.52	2.67	-93.48
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300029396719	0	42	-2.0	-83.25	366.56	-2.57	-85.82
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300029396746	0	42	-2.0	-90.19	355.69	1.61	-88.58
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029396749	1	43	-2.0	-77.18	350.90	-2.23	-79.41
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300029396754	0	42	-2.0	-94.50	362.24	3.31	-91.19
CC1=CC(=O)C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)=N[N-]1	REAL300029396787	0	43	-2.0	-89.91	358.81	2.44	-87.47
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300029396792	0	47	-2.0	-100.59	390.00	1.92	-98.67
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300029396820	0	42	-2.0	-104.98	359.46	2.14	-102.84
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300029396856	0	42	-2.0	-76.73	344.63	-2.82	-79.55
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300029396857	0	44	-2.0	-90.16	379.54	-5.52	-95.68
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300029396857	1	44	-2.0	-84.45	379.48	-5.46	-89.91
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300029396886	0	44	-2.0	-84.81	375.74	3.08	-81.73
CN1N=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)[N-]C1=O	REAL300029396926	0	41	-2.0	-91.86	346.85	-1.20	-93.06
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300029396960	0	44	-2.0	-85.45	373.53	-0.63	-86.08
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300029397002	0	43	-2.0	-90.54	364.21	3.36	-87.18
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300029397123	0	42	-2.0	-89.27	344.07	-0.75	-90.02
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300029397160	0	42	-2.0	-89.99	366.01	3.48	-86.51
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300029397187	1	42	-2.0	-95.48	351.27	1.55	-93.93
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300029397195	1	47	-2.0	-106.96	384.31	3.39	-103.57
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300029397199	0	44	-2.0	-91.55	371.47	3.59	-87.96
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300029397202	0	44	-2.0	-87.15	371.46	3.62	-83.53
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300029397213	1	42	-2.0	-95.98	361.83	3.12	-92.86
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300029397227	0	44	-2.0	-83.86	373.02	2.15	-81.71
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029397299	0	40	-2.0	-85.13	342.09	-3.92	-89.05
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029397299	1	40	-2.0	-82.71	342.98	-3.07	-85.78
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300029397326	0	44	-2.0	-95.60	367.69	0.54	-95.06
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300029397363	1	47	-2.0	-101.71	386.12	4.47	-97.24
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300029397364	0	38	-2.0	-87.00	344.96	-0.70	-87.70
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300029397383	1	42	-2.0	-81.48	333.47	-3.95	-85.43
CC1=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)[N-]C(=O)C(C#N)=C1	REAL300029397414	0	45	-2.0	-84.31	379.05	1.88	-82.43
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C([O-])=C1F	REAL300029397434	0	42	-2.0	-98.16	355.65	1.58	-96.58
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300029397491	0	42	-2.0	-86.45	367.27	2.13	-84.32
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029397495	1	43	-2.0	-85.45	364.73	1.00	-84.45
COC1=NC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)=CC(=O)[N-]1	REAL300029397501	0	44	-2.0	-89.53	368.17	-2.74	-92.27
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300029397503	0	44	-2.0	-91.26	373.93	0.15	-91.11
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300029397511	0	41	-2.0	-93.87	357.44	2.74	-91.13
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300029397517	1	45	-2.0	-95.34	390.22	3.15	-92.19
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300029397550	0	42	-2.0	-91.89	360.88	2.03	-89.86
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC=C1[O-]	REAL300029397560	0	41	-2.0	-95.77	337.76	1.19	-94.58
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029397567	0	38	-2.0	-89.44	324.36	-1.24	-90.68
CC1=C([O-])N=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)S1	REAL300029397601	1	41	-2.0	-89.73	355.74	-0.80	-90.53
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300029397669	1	48	-2.0	-100.38	389.92	5.19	-95.19
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300029397677	1	48	-2.0	-103.66	389.59	5.17	-98.49
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300029397720	1	44	-2.0	-86.92	367.14	1.81	-85.11
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300029397750	0	41	-2.0	-97.33	362.70	-0.45	-97.78
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029397780	1	41	-2.0	-82.19	359.21	2.17	-80.02
CSC1=NC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C(=O)[N-]1	REAL300029397804	1	44	-2.0	-93.81	385.38	-0.08	-93.89
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300029397812	0	42	-2.0	-85.12	350.73	-2.87	-87.99
CCN1[N-]C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)=CC1=O	REAL300029397889	0	45	-2.0	-88.93	373.90	1.26	-87.67
CN1[N-]C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)=CC1=O	REAL300029397907	0	42	-2.0	-88.13	352.17	0.33	-87.80
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300029397922	0	42	-2.0	-88.62	369.63	-1.75	-90.37
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC(=O)N[N-]1	REAL300029398071	1	42	-2.0	-93.50	353.21	-0.97	-94.47
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300029398078	1	42	-2.0	-90.30	351.28	1.59	-88.71
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300029398131	0	42	-2.0	-89.69	357.52	1.63	-88.06
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300029398136	0	41	-2.0	-93.95	353.91	1.66	-92.29
CC1=C(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C(=O)N(C)[N-]1	REAL300029398153	0	48	-2.0	-93.32	396.02	1.44	-91.88
CC1=CN=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C2(C)C)C([O-])=C1	REAL300029398199	1	44	-2.0	-99.23	362.67	2.86	-96.37
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CS1	REAL300029398230	0	39	-2.0	-95.09	336.52	0.39	-94.70
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300029398250	0	42	-2.0	-101.19	360.18	2.38	-98.81
CC1(C)C(NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300029398256	0	42	-2.0	-89.78	367.53	3.20	-86.58
CC1(C)C(NC(=O)C2=CN([O-])C(=O)NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029398295	0	42	-2.0	-86.69	355.17	-0.01	-86.70
CC1(C)C(NC(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029398325	1	43	-2.0	-79.39	366.08	0.61	-78.78
O=C(NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300029399082	0	41	-2.0	-101.47	355.31	-4.11	-105.58
O=C(CN1C(=O)[N-]NC1=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029399130	0	43	-2.0	-103.37	369.59	-2.47	-105.84
O=C(NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300029399470	0	43	-2.0	-110.81	366.39	2.01	-108.80
O=C(NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300029399545	0	43	-2.0	-93.77	366.85	-2.89	-96.66
O=C(NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300029399556	1	39	-2.0	-95.30	338.92	-3.05	-98.35
CCN1[N-]C(C(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029399661	0	46	-2.0	-100.97	388.29	0.58	-100.39
O=C(CC1=CC(=O)N[N-]1)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029399668	1	43	-2.0	-102.71	364.59	-1.43	-104.14
CN1N=C(C(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029399687	0	42	-2.0	-103.56	361.00	-1.85	-105.41
O=C(NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300029399739	0	41	-2.0	-90.98	347.97	0.09	-90.89
O=C(NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300029399797	0	40	-2.0	-96.60	343.71	-2.08	-98.68
C[PH](C)([O-])C(=O)C(=O)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029399802	0	45	-2.0	-92.57	376.73	-0.66	-93.23
O=C(CCC1=NNC(=O)[N-]1)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029399820	0	45	-2.0	-97.78	379.77	-1.87	-99.65
O=C(NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300029399822	0	43	-2.0	-107.93	364.15	2.16	-105.77
CC1SC(C(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300029399841	0	42	-2.0	-100.85	370.29	-1.92	-102.77
CC1=C([O-])N=C(C(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300029399841	1	42	-2.0	-100.85	370.29	-1.92	-102.77
O=C(NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300029399855	0	43	-2.0	-110.49	366.76	2.01	-108.48
O=C(NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300029399876	0	43	-2.0	-131.50	363.83	3.01	-128.49
O=C(CC1=NC([O-])=CS1)NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029399977	0	42	-2.0	-111.10	370.27	-2.14	-113.24
CC1=CC(=O)C(C(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029400115	0	44	-2.0	-104.02	372.47	1.74	-102.28
O=C(NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300029400125	0	39	-2.0	-95.96	338.34	-3.36	-99.32
CN1[N-]C(C(=O)NCCC2CSCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029400291	0	43	-2.0	-99.88	366.56	-0.35	-100.23
O=C(NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300029400375	0	41	-2.0	-92.62	357.52	-4.35	-96.97
O=C(NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300029400375	1	41	-2.0	-92.62	357.52	-4.35	-96.97
O=C(NCCC1CSCCN1C(=O)C1=NC=CC=C1O)C1=CC(=O)[N-]O1	REAL300029400719	0	42	-2.0	-105.97	355.65	1.85	-104.12
O=C(NCCC1CSCCN1C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029400719	1	42	-2.0	-105.97	355.65	1.85	-104.12
O=C(NCCC1CSCCN1C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029400804	0	41	-2.0	-102.61	355.86	-3.82	-106.43
O=C(CN1C(=O)[N-]NC1=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029400881	0	43	-2.0	-95.07	375.01	-1.91	-96.98
O=C(NCCC1CSCCN1C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029401524	1	39	-2.0	-88.71	338.91	-1.49	-90.20
O=C(NCCC1CSCCN1C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300029401583	1	43	-2.0	-98.04	365.94	1.43	-96.61
O=C(NCCC1CSCCN1C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300029401586	0	42	-2.0	-92.93	365.15	0.87	-92.06
CC1=CC=C([O-])C(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029401626	1	45	-2.0	-106.87	377.26	2.42	-104.45
O=C(CCC1=NNC(=O)[N-]1)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401627	0	45	-2.0	-91.55	385.35	-1.26	-92.81
O=C(NCCC1CSCCN1C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300029401636	0	41	-2.0	-83.98	347.65	-0.06	-84.04
O=C(NCCC1CSCCN1C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300029401641	0	43	-2.0	-116.32	365.81	2.25	-114.07
O=C(NCCC1CSCCN1C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029401687	1	43	-2.0	-114.58	366.10	1.44	-113.14
O=C(NCCC1CSCCN1C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300029401741	0	40	-2.0	-92.37	343.61	-1.40	-93.77
C[PH](C)([O-])C(=O)C(=O)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029401745	0	45	-2.0	-98.49	382.95	-0.64	-99.13
O=C(NCCC1CSCCN1C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300029401783	0	43	-2.0	-112.20	366.46	1.93	-110.27
O=C(NCCC1CSCCN1C(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300029401797	0	39	-2.0	-89.89	338.27	-2.12	-92.01
O=C(NCCC1CSCCN1C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300029401800	0	43	-2.0	-94.88	364.37	1.64	-93.24
NC1=CC(=O)[N-]C(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029401862	0	43	-2.0	-103.67	368.74	-1.62	-105.29
O=C(NCCC1CSCCN1C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029401883	1	43	-2.0	-105.47	365.72	2.32	-103.15
CC1=CC=NC(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300029401921	1	45	-2.0	-105.44	375.99	2.53	-102.91
O=C(NCCC1CSCCN1C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300029401973	1	42	-2.0	-102.52	355.49	-0.52	-103.04
O=C(CC1=NC([O-])=CS1)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402041	0	42	-2.0	-124.58	373.36	-1.71	-126.29
O=C(NCCC1CSCCN1C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300029402050	0	43	-2.0	-109.97	365.70	2.32	-107.65
CC1=CC(=O)C(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029402119	0	44	-2.0	-98.27	372.90	2.07	-96.20
O=C(NCCC1CSCCN1C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300029402129	0	43	-2.0	-131.78	365.33	2.33	-129.45
CN1N=C(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029402162	0	42	-2.0	-100.53	361.14	-1.23	-101.76
O=C(NCCC1CSCCN1C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300029402259	1	43	-2.0	-91.65	366.89	1.42	-90.23
O=C(NCCC1CSCCN1C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300029402295	0	41	-2.0	-89.57	357.58	-3.11	-92.68
O=C(NCCC1CSCCN1C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029402295	1	41	-2.0	-89.57	357.58	-3.11	-92.68
NC1=NC=C(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029402322	0	43	-2.0	-87.38	363.13	-1.61	-88.99
NC1=NC=C(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029402322	1	43	-2.0	-87.38	363.13	-1.61	-88.99
O=C(NCCC1CSCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300029402391	0	39	-2.0	-98.37	338.46	-1.60	-99.97
CC1SC(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300029402403	0	42	-2.0	-92.84	370.48	-0.70	-93.54
CC1=C([O-])N=C(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)S1	REAL300029402403	1	42	-2.0	-92.84	370.48	-0.70	-93.54
O=C(NCCC1CSCCN1C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300029402483	0	43	-2.0	-92.55	366.61	-2.97	-95.52
CCN1[N-]C(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029402519	0	46	-2.0	-97.83	388.05	1.10	-96.73
CN1[N-]C(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029402531	0	43	-2.0	-96.73	366.24	0.16	-96.57
O=C(CC1=CC(=O)NN1)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402591	0	43	-2.0	-98.69	370.00	-0.82	-99.51
O=C(CC1=CC(=O)N[N-]1)N1CCSCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300029402591	1	43	-2.0	-98.69	370.00	-0.82	-99.51
O=C(NCCC1CSCCN1C(=O)C1=CC=C(O)C(F)=C1)C1=CC(=O)[N-]O1	REAL300029402595	0	43	-2.0	-95.02	366.86	1.46	-93.56
O=C(NCCC1CSCCN1C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300029402595	1	43	-2.0	-95.02	366.86	1.46	-93.56
CC1=CN=C(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C(O)=C1	REAL300029402640	0	45	-2.0	-107.60	378.18	2.69	-104.91
CC1=CN=C(C(=O)N2CCSCC2CCNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300029402640	1	45	-2.0	-107.60	378.18	2.69	-104.91
O=C(NCCC1CSCCN1C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300029402651	0	40	-2.0	-102.95	354.94	0.56	-102.39
O=C(NCCC1CSCCN1C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300029402660	0	43	-2.0	-113.48	366.27	1.96	-111.52
C[C@@H]1[C@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403183	1	47	-2.0	-102.16	379.28	1.78	-100.38
C[C@@H]1[C@H](NC(=O)CCCN2C(=O)[N-]NC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029403895	0	48	-2.0	-90.39	391.26	-0.58	-90.97
C[C@@H]1[C@H](NC(=O)CCC2=NNC(=O)[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404134	0	46	-2.0	-90.32	378.96	-3.30	-93.62
CC(=O)[N-]C1=NC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)=CS1	REAL300029404135	1	44	-2.0	-95.76	373.18	0.20	-95.56
C[C@@H]1[C@H](NC(=O)CCN2C=C[N-]C(=O)C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404314	1	47	-2.0	-98.71	384.67	1.00	-97.71
COC1=C(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)NC(=O)[N-]C1=O	REAL300029404436	1	45	-2.0	-97.11	368.70	-2.00	-99.11
C[C@@H]1[C@H](NC(=O)C2=NNC(=O)[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404563	0	40	-2.0	-92.43	334.73	-3.30	-95.73
C[C@@H]1[C@H](NC(=O)CN2C(=O)[N-]NC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029404691	0	42	-2.0	-91.97	348.91	-1.62	-93.59
C[C@@H]1[C@H](NC(=O)C2=CN([O-])C(=O)C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405646	0	42	-2.0	-100.47	345.86	2.86	-97.61
C[C@@H]1[C@H](NC(=O)C2=CC(=O)NC([O-])=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405830	0	42	-2.0	-94.14	346.15	-2.20	-96.34
C[C@@H]1[C@H](NC(=O)C2=COC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405843	1	38	-2.0	-98.91	318.30	-2.19	-101.10
C[C@@H]1[C@H]([N-]C(=O)C(F)(F)C(F)(F)F)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029405974	0	37	-2.0	-85.87	322.27	0.98	-84.89
CCN1[N-]C(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)=CC1=O	REAL300029406094	0	45	-2.0	-95.14	367.77	1.41	-93.73
C[C@@H]1[C@H](NC(=O)CC2=CC(=O)N[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406103	1	42	-2.0	-92.84	343.92	-0.59	-93.43
C[C@@H]1[C@H](NC(=O)C2=CC=CC(=S)N2[O-])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406128	0	42	-2.0	-110.31	354.42	4.88	-105.43
C[C@@H]1[C@H](NC(=O)CC2SC(=O)[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406144	0	42	-2.0	-86.66	357.01	-2.08	-88.74
C[C@@H]1[C@H](NC(=O)C2=NN(C)C(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406163	0	41	-2.0	-98.04	340.40	-1.17	-99.21
C[C@@H]1[C@H](NC(=O)C2=C[N-]N=CC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406291	0	40	-2.0	-91.26	327.45	0.94	-90.32
C[C@@H]1[C@H](NC(=O)C2=CC=C3N=NN([O-])C3=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406331	0	44	-2.0	-94.92	362.39	1.36	-93.56
C[C@@H]1[C@H](NC(=O)C2=CC(=O)N[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406438	0	39	-2.0	-92.49	323.23	-1.23	-93.72
C[C@@H]1[C@H](NC(=O)C(=O)[PH](C)(C)[O-])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406443	0	44	-2.0	-91.22	357.37	0.27	-90.95
C[C@@H]1[C@H](NC(=O)C2=CC=CN([O-])C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406494	0	42	-2.0	-119.12	343.32	3.00	-116.12
CSC1=NC=C(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C(=O)N1	REAL300029406515	0	44	-2.0	-102.42	369.47	0.82	-101.60
CSC1=NC=C(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C(=O)[N-]1	REAL300029406515	1	44	-2.0	-102.42	369.47	0.82	-101.60
CC1SC(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)=NC1=O	REAL300029406541	0	41	-2.0	-108.07	349.81	-1.09	-109.16
CC1=C([O-])N=C(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)S1	REAL300029406541	1	41	-2.0	-108.07	349.81	-1.09	-109.16
C[C@@H]1[C@H](NC(=O)C2=CC(=O)C=C(Cl)N2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406564	0	41	-2.0	-90.05	353.19	1.94	-88.11
C[C@@H]1[C@H](NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406564	1	41	-2.0	-90.05	353.19	1.94	-88.11
C[C@@H]1[C@H](NC(=O)C2=CC(=O)N([O-])C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406589	0	42	-2.0	-102.09	346.21	2.85	-99.24
C[C@@H]1[C@H](NC(=O)C2=CC=CC(=O)N2[O-])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406654	0	42	-2.0	-109.83	343.31	3.84	-105.99
C[C@@H]1[C@H](NC(=O)CC2=C([O-])N=C(N)S2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406839	0	43	-2.0	-106.33	364.53	-2.17	-108.50
C[C@@H]1[C@H](NC(=O)CC2=NC([O-])=CS2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406905	0	41	-2.0	-102.09	349.75	-1.31	-103.40
CCC1=NC=C(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C(=O)[N-]1	REAL300029406932	1	46	-2.0	-101.00	368.23	1.28	-99.72
C[C@@H]1[C@H](NC(=O)CN2N=CC(=O)[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029406945	0	43	-2.0	-94.79	359.21	-2.74	-97.53
C[C@@H]1[C@H](NC(=O)C2=C(Cl)C(=O)[N-]S2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407030	0	38	-2.0	-91.71	340.79	0.08	-91.63
COCC1=NC=C(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C(=O)N1	REAL300029407149	0	47	-2.0	-101.18	381.16	-0.47	-101.65
COCC1=NC=C(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C(=O)[N-]1	REAL300029407149	1	47	-2.0	-101.18	381.16	-0.47	-101.65
CC1=CC(=O)C(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)=N[N-]1	REAL300029407256	0	43	-2.0	-96.27	351.89	2.56	-93.71
C[C@@H]1[C@H](NC(=O)C2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407275	0	38	-2.0	-94.74	317.71	-2.69	-97.43
C[C@@H]1[C@H](NC(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407301	0	43	-2.0	-93.46	360.41	1.81	-91.65
C[C@@H]1[C@H](NC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407301	1	43	-2.0	-93.46	360.41	1.81	-91.65
C[C@@H]1[C@H](NC(=O)C2=CN=C(C=N[O-])S2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407449	0	41	-2.0	-100.41	358.60	0.35	-100.06
C[C@@H]1[C@H](NC(=O)C2=CC(=O)N(C)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407702	0	42	-2.0	-94.50	345.96	0.48	-94.02
C[C@@H]1[C@H](NC(=O)C2=CC=CC3=C2C(=O)NC3=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407712	0	45	-2.0	-96.50	368.75	0.88	-95.62
C[C@@H]1[C@H](NC(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407712	1	45	-2.0	-96.50	368.75	0.88	-95.62
C[C@@H]1[C@H](NC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407715	0	42	-2.0	-92.64	360.04	-1.52	-94.16
CC1=C(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C(=S)NC(=O)N1	REAL300029407716	0	44	-2.0	-106.03	371.77	0.01	-106.02
CC1=C(C(=O)N[C@@H]2CCCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C(=S)[N-]C(=O)N1	REAL300029407716	1	44	-2.0	-106.03	371.77	0.01	-106.02
C[C@@H]1[C@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407945	0	40	-2.0	-100.92	336.26	-4.25	-105.17
C[C@@H]1[C@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029407945	1	40	-2.0	-94.04	336.82	-3.66	-97.70
C[C@@H]1[C@H](NC(=O)COC2=NC(=O)[N-]C(=O)N2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029408024	0	44	-2.0	-95.68	369.95	-5.22	-100.90
C[C@@H]1[C@H](NC(=O)COC2=NC(=O)NC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029408024	1	44	-2.0	-87.74	369.98	-5.01	-92.75
C[C@@H]1[C@H](NC(=O)CN2[N-]C(=O)C=CC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029408177	0	44	-2.0	-92.72	364.92	-0.62	-93.34
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC=CC=C1[O-]	REAL300029408434	1	41	-2.0	-110.42	338.04	2.07	-108.35
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300029408550	1	47	-2.0	-109.45	387.93	1.18	-108.27
CC(=O)[N-]C1=NC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)=CS1	REAL300029408562	1	44	-2.0	-86.27	373.24	1.05	-85.22
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300029408590	0	40	-2.0	-100.63	335.26	-3.14	-103.77
COC1=C(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)NC(=O)[N-]C1=O	REAL300029408639	1	45	-2.0	-96.46	377.61	-3.29	-99.75
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300029408799	0	42	-2.0	-103.91	351.87	-1.48	-105.39
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCCN1C(=O)[N-]NC1=O	REAL300029409717	0	48	-2.0	-101.00	394.49	-0.24	-101.24
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300029409918	1	47	-2.0	-90.78	383.21	1.63	-89.15
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300029410690	0	46	-2.0	-96.36	382.19	-2.97	-99.33
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300029410698	0	44	-2.0	-100.30	366.58	3.90	-96.40
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300029410712	1	42	-2.0	-107.48	355.64	3.87	-103.61
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300029410743	1	43	-2.0	-87.32	361.47	2.45	-84.87
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(N)C(Cl)=C1[O-]	REAL300029410769	0	44	-2.0	-114.44	369.20	1.70	-112.74
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300029410820	0	44	-2.0	-121.09	366.81	4.62	-116.47
CCC1=NC=C(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C(=O)[N-]1	REAL300029410849	1	46	-2.0	-88.24	370.03	0.96	-87.28
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=COC(=O)[N-]1	REAL300029410870	1	38	-2.0	-88.75	318.11	-0.69	-89.44
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300029410971	0	41	-2.0	-92.83	356.27	-1.18	-94.01
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300029410972	0	43	-2.0	-121.06	367.51	-1.96	-123.02
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C=C1F	REAL300029410999	1	42	-2.0	-98.64	345.60	2.17	-96.47
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300029411008	0	41	-2.0	-93.67	344.57	1.58	-92.09
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300029411018	1	43	-2.0	-88.31	360.79	2.52	-85.79
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300029411024	0	41	-2.0	-103.55	350.85	1.95	-101.60
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1	REAL300029411027	0	44	-2.0	-95.00	375.16	-0.61	-95.61
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300029411043	0	43	-2.0	-111.02	362.28	-2.62	-113.64
CC1=CC=C([O-])C(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)=N1	REAL300029411129	1	44	-2.0	-106.93	356.76	3.20	-103.73
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300029411153	0	40	-2.0	-83.35	328.61	0.68	-82.67
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300029411164	0	42	-2.0	-118.46	347.03	3.27	-115.19
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC([O-])=C1F	REAL300029411281	1	42	-2.0	-114.77	347.31	2.20	-112.57
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300029411352	0	44	-2.0	-90.28	366.60	3.89	-86.39
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300029411415	0	39	-2.0	-92.29	322.98	-0.77	-93.06
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300029411422	0	44	-2.0	-89.28	357.79	0.60	-88.68
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(=O)C=C([O-])C1=CC=CC=N1	REAL300029411449	0	47	-2.0	-104.69	391.28	3.66	-101.03
COCC1=NC=C(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C(=O)N1	REAL300029411482	0	47	-2.0	-90.99	385.64	-0.80	-91.79
COCC1=NC=C(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C(=O)[N-]1	REAL300029411482	1	47	-2.0	-90.99	385.64	-0.80	-91.79
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300029411535	0	42	-2.0	-112.38	346.54	2.65	-109.73
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL300029411568	0	42	-2.0	-105.46	357.90	2.29	-103.17
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NNC(=O)[N-]1	REAL300029411570	0	38	-2.0	-97.05	317.74	-2.24	-99.29
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CN([O-])C1=O	REAL300029411582	0	42	-2.0	-96.56	345.36	2.65	-93.91
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=CC=C1O	REAL300029411788	0	42	-2.0	-106.58	345.33	3.42	-103.16
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300029411788	1	42	-2.0	-106.58	345.33	3.42	-103.16
CC1=CC=NC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)=C1[O-]	REAL300029411873	1	44	-2.0	-106.18	355.51	3.37	-102.81
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300029411929	0	42	-2.0	-114.19	363.07	3.78	-110.41
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=CC([O-])=C1	REAL300029412041	1	41	-2.0	-102.15	335.60	0.20	-101.95
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300029412053	0	42	-2.0	-96.94	357.03	3.63	-93.31
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300029412206	1	44	-2.0	-90.52	369.36	0.58	-89.94
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300029412210	0	41	-2.0	-86.42	353.64	1.68	-84.74
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300029412273	1	42	-2.0	-96.47	353.80	2.61	-93.86
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300029412275	0	45	-2.0	-104.96	372.66	1.64	-103.32
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=NC([O-])=CS1	REAL300029412285	0	41	-2.0	-119.52	352.78	-1.13	-120.65
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300029412308	0	44	-2.0	-100.83	367.99	-0.49	-101.32
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300029412311	0	42	-2.0	-111.42	345.32	3.42	-108.00
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300029412430	0	42	-2.0	-90.28	360.44	-1.86	-92.14
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300029412457	0	42	-2.0	-101.67	353.45	2.28	-99.39
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029412460	1	43	-2.0	-83.63	363.97	0.77	-82.86
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300029412465	0	42	-2.0	-112.07	356.82	3.75	-108.32
CC1=CC(=O)C(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)=N[N-]1	REAL300029412498	0	43	-2.0	-97.57	352.44	2.72	-94.85
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300029412503	0	47	-2.0	-109.83	383.61	2.39	-107.44
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300029412531	0	42	-2.0	-95.87	345.91	2.99	-92.88
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300029412567	0	42	-2.0	-81.79	354.77	0.47	-81.32
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300029412568	0	44	-2.0	-97.39	373.07	-5.04	-102.43
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300029412568	1	44	-2.0	-92.51	372.98	-4.95	-97.46
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300029412597	0	44	-2.0	-91.84	367.87	3.48	-88.36
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300029412637	0	41	-2.0	-100.59	340.33	-0.64	-101.23
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300029412671	0	44	-2.0	-95.04	369.76	-0.05	-95.09
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300029412713	0	43	-2.0	-102.74	359.74	3.77	-98.97
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300029412834	0	42	-2.0	-93.94	350.17	0.17	-93.77
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300029412871	0	42	-2.0	-104.60	363.23	3.79	-100.81
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300029412898	1	42	-2.0	-92.19	346.84	2.13	-90.06
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300029412906	1	47	-2.0	-123.51	379.74	3.82	-119.69
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300029412910	0	44	-2.0	-108.74	367.08	4.02	-104.72
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300029412913	0	44	-2.0	-98.03	367.09	4.02	-94.01
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300029412924	1	42	-2.0	-110.99	355.64	3.86	-107.13
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300029412938	0	44	-2.0	-88.04	370.17	2.75	-85.29
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029413010	0	40	-2.0	-92.88	340.84	-3.76	-96.64
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029413010	1	40	-2.0	-92.88	340.84	-3.76	-96.64
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300029413037	0	44	-2.0	-113.18	364.21	1.14	-112.04
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C(O)C2=CC=CC=C2C=N1	REAL300029413074	0	47	-2.0	-115.19	383.09	4.58	-110.61
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300029413074	1	47	-2.0	-115.19	383.09	4.58	-110.61
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300029413075	0	38	-2.0	-97.15	343.43	-0.06	-97.21
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=C(N)NC1=O	REAL300029413094	0	42	-2.0	-88.56	343.42	-0.67	-89.23
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300029413094	1	42	-2.0	-88.56	343.42	-0.67	-89.23
CC1=C(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)[N-]C(=O)C(C#N)=C1	REAL300029413125	0	45	-2.0	-103.78	382.07	0.96	-102.82
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300029413202	0	42	-2.0	-93.36	362.81	2.71	-90.65
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029413206	0	43	-2.0	-90.94	360.75	1.62	-89.32
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029413206	1	43	-2.0	-90.94	360.75	1.62	-89.32
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300029413214	0	44	-2.0	-85.05	361.90	0.80	-84.25
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300029413222	0	41	-2.0	-106.75	354.22	2.61	-104.14
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC=C(O)C(Cl)=C1	REAL300029413228	0	45	-2.0	-104.49	383.86	3.74	-100.75
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300029413228	1	45	-2.0	-104.49	383.86	3.74	-100.75
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029413278	0	38	-2.0	-96.92	317.93	-0.73	-97.65
CC1SC(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)=NC1=O	REAL300029413312	0	41	-2.0	-95.64	349.62	0.00	-95.64
CC1=C([O-])N=C(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)S1	REAL300029413312	1	41	-2.0	-95.64	349.62	0.00	-95.64
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C(O)C2=CC=CC=C2C=C1	REAL300029413380	0	48	-2.0	-117.07	385.43	5.59	-111.48
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300029413380	1	48	-2.0	-117.07	385.43	5.59	-111.48
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC2=CC=CC=C2C=C1O	REAL300029413388	0	48	-2.0	-121.86	385.02	5.62	-116.24
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300029413388	1	48	-2.0	-121.86	385.02	5.62	-116.24
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(=O)C1=CC=C(O)C=C1	REAL300029413431	0	44	-2.0	-98.67	363.63	2.32	-96.35
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300029413431	1	44	-2.0	-98.67	363.63	2.32	-96.35
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300029413461	0	41	-2.0	-105.84	358.91	0.21	-105.63
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)C=C(Cl)N1	REAL300029413491	0	41	-2.0	-91.66	355.41	2.54	-89.12
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029413491	1	41	-2.0	-91.66	355.41	2.54	-89.12
CSC1=NC=C(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C(=O)N1	REAL300029413515	0	44	-2.0	-88.32	371.37	0.50	-87.82
CSC1=NC=C(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C(=O)[N-]1	REAL300029413515	1	44	-2.0	-88.32	371.37	0.50	-87.82
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300029413523	0	42	-2.0	-91.75	346.69	-2.26	-94.01
CCN1[N-]C(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)=CC1=O	REAL300029413600	0	45	-2.0	-96.13	367.51	1.86	-94.27
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300029413618	0	42	-2.0	-95.21	345.68	0.93	-94.28
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300029413633	0	42	-2.0	-96.30	363.12	-1.13	-97.43
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC(=O)NN1	REAL300029413782	0	42	-2.0	-104.34	346.84	-0.42	-104.76
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC(=O)N[N-]1	REAL300029413782	1	42	-2.0	-104.34	346.84	-0.42	-104.76
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(O)C(F)=C1	REAL300029413789	0	42	-2.0	-95.65	346.80	2.17	-93.48
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300029413789	1	42	-2.0	-95.65	346.80	2.17	-93.48
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300029413842	0	42	-2.0	-97.27	353.06	2.24	-95.03
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300029413847	0	41	-2.0	-109.07	350.16	1.98	-107.09
CC1=C(CC(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C(=O)N(C)[N-]1	REAL300029413864	0	48	-2.0	-99.60	389.74	2.02	-97.58
CC1=CN=C(C(=O)N2CCC[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C([O-])=C1	REAL300029413910	1	44	-2.0	-108.40	356.66	3.33	-105.07
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CS1	REAL300029413941	0	39	-2.0	-107.57	332.85	1.04	-106.53
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300029413961	0	42	-2.0	-113.52	347.69	2.67	-110.85
C[C@@H]1[C@H](NC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300029413967	0	42	-2.0	-103.25	361.32	3.96	-99.29
C[C@@H]1[C@H](NC(=O)C2=CN([O-])C(=O)NC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029414011	0	42	-2.0	-94.87	348.62	0.35	-94.52
C[C@@H]1[C@H](NC(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029414046	1	43	-2.0	-91.95	359.66	0.97	-90.98
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]C1=O	REAL300029414716	0	41	-2.0	-94.96	365.86	-2.88	-97.84
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)C=C1	REAL300029415023	0	43	-2.0	-104.20	378.87	4.15	-100.05
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)NC([O-])=C1	REAL300029415083	0	43	-2.0	-93.21	378.45	-1.44	-94.65
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300029415093	1	39	-2.0	-97.04	350.11	-1.77	-98.81
CCN1[N-]C(C(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029415184	0	46	-2.0	-98.81	402.09	1.77	-97.04
O=C(CC1=CC(=O)N[N-]1)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415190	1	43	-2.0	-97.37	376.26	0.63	-96.74
CN1N=C(C(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029415204	0	42	-2.0	-92.15	372.93	0.20	-91.95
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300029415245	0	41	-2.0	-79.53	359.01	2.23	-77.30
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300029415293	0	40	-2.0	-86.07	355.61	0.00	-86.07
C[PH](C)([O-])C(=O)C(=O)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415297	0	45	-2.0	-95.62	387.87	0.67	-94.95
O=C(CCC1=NC(=O)NN1)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415314	0	45	-2.0	-100.96	392.52	-0.68	-101.64
O=C(CCC1=NC(=O)[N-]N1)NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029415314	1	45	-2.0	-100.96	392.52	-0.68	-101.64
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300029415316	0	43	-2.0	-98.30	376.43	4.28	-94.02
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300029415339	0	43	-2.0	-104.36	379.24	4.13	-100.23
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300029415356	0	43	-2.0	-96.84	375.33	4.18	-92.66
CC1=CC(=O)C(C(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029415547	0	44	-2.0	-97.47	383.06	2.98	-94.49
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]1	REAL300029415554	0	39	-2.0	-100.23	352.16	-2.30	-102.53
CN1[N-]C(C(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029415684	0	43	-2.0	-92.43	379.34	1.34	-91.09
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300029415750	0	41	-2.0	-89.79	368.92	-3.02	-92.81
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300029415750	1	41	-2.0	-92.16	371.30	-3.17	-95.33
CC1=NC(=O)C=C(C(=O)NC2(C3=CC=CC=C3)CN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]1	REAL300029415779	0	44	-2.0	-98.37	385.49	0.52	-97.85
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029416073	1	42	-2.0	-100.29	367.96	3.36	-96.93
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029416162	0	41	-2.0	-101.56	366.31	-2.53	-104.09
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029416983	1	39	-2.0	-93.05	351.45	-0.78	-93.83
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300029417042	1	43	-2.0	-96.85	379.08	2.48	-94.37
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300029417045	0	42	-2.0	-90.89	376.30	2.35	-88.54
CC1=CC=C([O-])C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)=N1	REAL300029417088	1	45	-2.0	-100.96	388.80	4.36	-96.60
O=C(CCC1=NC(=O)[N-]N1)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417089	1	45	-2.0	-99.13	393.66	-0.19	-99.32
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300029417098	0	41	-2.0	-90.92	358.44	3.11	-87.81
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029417105	0	43	-2.0	-120.88	374.60	3.99	-116.89
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029417155	1	43	-2.0	-115.57	374.77	2.45	-113.12
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029417215	0	40	-2.0	-95.70	355.05	-0.48	-96.18
C[PH](C)([O-])C(=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029417220	0	45	-2.0	-88.67	393.83	1.56	-87.11
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300029417265	0	43	-2.0	-102.78	376.09	3.61	-99.17
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=NC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029417279	0	39	-2.0	-92.26	351.03	-1.24	-93.50
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300029417282	0	43	-2.0	-111.61	384.08	4.24	-107.37
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(F)=CC=C2O)C1)C1=CC(=O)[N-]O1	REAL300029417375	0	43	-2.0	-98.42	376.78	5.09	-93.33
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029417375	1	43	-2.0	-98.42	376.78	5.09	-93.33
CC1=CC=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)=C1O	REAL300029417415	0	45	-2.0	-109.43	386.33	3.72	-105.71
CC1=CC=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)=C1[O-]	REAL300029417415	1	45	-2.0	-109.43	386.33	3.72	-105.71
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CN=CC(O)=C2)C1)C1=CC(=O)[N-]O1	REAL300029417467	0	42	-2.0	-93.10	364.12	0.59	-92.51
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029417467	1	42	-2.0	-93.10	364.12	0.59	-92.51
CC1=CC(=O)C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)=N[N-]1	REAL300029417629	0	44	-2.0	-101.99	383.47	3.33	-98.66
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300029417643	0	43	-2.0	-132.68	371.80	3.95	-128.73
CN1N=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)[N-]C1=O	REAL300029417684	0	42	-2.0	-94.94	372.84	0.37	-94.57
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC=C(F)C(O)=C2)C1)C1=CC(=O)[N-]O1	REAL300029417791	0	43	-2.0	-99.39	376.27	3.09	-96.30
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029417791	1	43	-2.0	-99.39	376.27	3.09	-96.30
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300029417833	0	41	-2.0	-94.82	368.25	-2.56	-97.38
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029417833	1	41	-2.0	-91.43	368.43	-2.46	-93.89
NC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C(=O)[N-]1	REAL300029417865	1	43	-2.0	-108.63	384.81	-0.26	-108.89
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029417933	0	42	-2.0	-101.25	365.10	2.67	-98.58
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300029417938	0	39	-2.0	-89.69	350.24	0.71	-88.98
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029418036	0	43	-2.0	-88.22	375.93	-1.30	-89.52
CCN1[N-]C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)=CC1=O	REAL300029418072	0	46	-2.0	-92.49	399.98	2.81	-89.68
CN1[N-]C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)=CC1=O	REAL300029418087	0	43	-2.0	-91.69	379.12	1.50	-90.19
O=C(CC1=CC(=O)N[N-]1)N1CC(NC(=O)C2=CC(=O)[N-]O2)(C2=CC=CC=C2)C1	REAL300029418162	1	43	-2.0	-93.72	379.17	0.39	-93.33
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029418165	1	43	-2.0	-92.29	376.22	3.13	-89.16
CC1=CN=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)(C3=CC=CC=C3)C2)C([O-])=C1	REAL300029418216	1	45	-2.0	-101.74	389.41	4.01	-97.73
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300029418227	0	40	-2.0	-105.61	362.31	1.65	-103.96
O=C(NC1(C2=CC=CC=C2)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300029418238	0	43	-2.0	-112.09	374.69	2.94	-109.15
CC1C2CCC(CC1NC(=O)C1=NNC(=O)[N-]C1=O)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419137	0	44	-2.0	-92.98	357.50	-2.69	-95.67
CC1C2CCC(CC1NC(=O)CN1C(=O)[N-]NC1=O)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419198	0	46	-2.0	-91.75	367.19	0.20	-91.55
CC1C2CCC(CC1NC(=O)C1=CN([O-])C(=O)C=C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419626	0	46	-2.0	-103.83	374.01	3.10	-100.73
CC1C2CCC(CC1NC(=O)C1=CC(=O)NC([O-])=C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419714	0	46	-2.0	-87.97	374.47	-1.81	-89.78
CC1C2CCC(CC1NC(=O)C1=COC(=O)[N-]1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419725	1	42	-2.0	-90.70	346.55	-1.99	-92.69
CC1C2CCC(CC1[N-]C(=O)C(F)(F)C(F)(F)F)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419791	1	41	-2.0	-78.95	344.66	4.44	-74.51
CCN1[N-]C(C(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029419849	0	49	-2.0	-92.44	395.89	1.64	-90.80
CC1C2CCC(CC1NC(=O)CC1=CC(=O)N[N-]1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419856	1	46	-2.0	-95.45	362.19	1.24	-94.21
CC1C2CCC(CC1NC(=O)C1=NN(C)C(=O)[N-]1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419883	0	45	-2.0	-94.87	368.60	-0.81	-95.68
CC1C2CCC(CC1NC(=O)C1=C[N-]N=CC1=O)N2C(=O)C1=CC(=O)[N-]O1	REAL300029419946	0	44	-2.0	-76.96	341.20	2.66	-74.30
CC1C2CCC(CC1NC(=O)C1=CC(=O)N[N-]1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420017	0	43	-2.0	-89.22	345.94	-0.61	-89.83
CC1C2CCC(CC1NC(=O)C(=O)[PH](C)(C)[O-])N2C(=O)C1=CC(=O)[N-]O1	REAL300029420022	0	48	-2.0	-83.03	375.70	2.11	-80.92
CC1C2CCC(CC1NC(=O)C1=CC=CN([O-])C1=O)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420047	0	46	-2.0	-113.36	361.24	5.62	-107.74
CC1SC(C(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300029420068	0	45	-2.0	-97.17	378.12	-0.90	-98.07
CC1=C([O-])N=C(C(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)S1	REAL300029420068	1	45	-2.0	-97.17	378.12	-0.90	-98.07
CC1C2CCC(CC1NC(=O)C1=CC(=O)N([O-])C=C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420086	0	46	-2.0	-104.92	369.03	3.47	-101.45
CC1C2CCC(CC1NC(=O)C1=CC=CC(=O)N1[O-])N2C(=O)C1=CC(=O)[N-]O1	REAL300029420111	0	46	-2.0	-117.41	371.43	4.06	-113.35
CC1C2CCC(CC1NC(=O)CC1=NC([O-])=CS1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420230	0	45	-2.0	-105.34	368.06	0.53	-104.81
CC1=CC(=O)C(C(=O)NC2CC3CCC(C2C)N3C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029420400	0	47	-2.0	-93.28	374.70	3.18	-90.10
CC1C2CCC(CC1NC(=O)C1=NC(=O)N[N-]1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420411	0	42	-2.0	-89.78	345.94	-2.31	-92.09
CC1C2CCC(CC1NC(=O)C1=CC(=O)N(C)[N-]1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420612	0	46	-2.0	-91.53	374.08	0.71	-90.82
CC1C2CCC(CC1NC(=O)C1=NC(=O)[N-]C(=O)N1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420718	0	44	-2.0	-92.32	364.47	-4.06	-96.38
CC1C2CCC(CC1NC(=O)C1=NC(=O)NC(=O)[N-]1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029420718	1	44	-2.0	-86.17	365.12	-3.30	-89.47
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=NC=CC=C1[O-]	REAL300029421073	1	45	-2.0	-96.86	352.04	4.78	-92.08
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=NNC(=O)[N-]C1=O	REAL300029421176	0	44	-2.0	-91.93	362.64	-2.72	-94.65
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CN1C(=O)[N-]NC1=O	REAL300029421284	0	46	-2.0	-90.42	370.66	0.34	-90.08
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300029422220	1	47	-2.0	-83.01	377.91	4.17	-78.84
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=COC(=O)[N-]1	REAL300029422290	1	42	-2.0	-90.18	346.25	-0.76	-90.94
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC=C([O-])C=C1F	REAL300029422363	1	46	-2.0	-89.87	371.94	2.26	-87.61
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC([O-])=CC(=O)O1	REAL300029422368	0	45	-2.0	-87.02	363.87	2.10	-84.92
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300029422371	1	47	-2.0	-92.73	380.52	3.00	-89.73
CC1=CC=C([O-])C(C(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300029422430	1	48	-2.0	-97.85	375.03	5.24	-92.61
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=C[N-]N=CC1=O	REAL300029422442	0	44	-2.0	-83.85	355.32	2.55	-81.30
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC=CC(F)=C1[O-]	REAL300029422449	0	46	-2.0	-101.45	360.53	5.36	-96.09
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC=CC([O-])=C1F	REAL300029422521	1	46	-2.0	-98.19	362.02	3.89	-94.30
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC(=O)N[N-]1	REAL300029422596	0	43	-2.0	-88.51	351.10	-0.66	-89.17
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C(=O)[PH](C)(C)[O-]	REAL300029422602	0	48	-2.0	-83.67	375.82	2.25	-81.42
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC(=O)N([O-])C=C1	REAL300029422661	0	46	-2.0	-100.99	366.61	3.13	-97.86
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=NC(=O)N[N-]1	REAL300029422678	0	42	-2.0	-90.15	340.51	-1.00	-91.15
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC=CN([O-])C1=O	REAL300029422683	0	46	-2.0	-107.73	371.64	4.65	-103.08
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC(F)=CC=C1O	REAL300029422803	0	46	-2.0	-93.06	360.72	5.35	-87.71
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC(F)=CC=C1[O-]	REAL300029422803	1	46	-2.0	-93.06	360.72	5.35	-87.71
CC1=CC=NC(C(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)=C1[O-]	REAL300029422850	1	48	-2.0	-96.62	372.30	5.45	-91.17
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CN=CC([O-])=C1	REAL300029422918	1	45	-2.0	-89.04	351.97	1.93	-87.11
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC1=NC([O-])=CS1	REAL300029423020	0	45	-2.0	-103.22	371.50	0.68	-102.54
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=C([O-])C=CC=C1F	REAL300029423033	0	46	-2.0	-93.95	371.84	4.24	-89.71
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC=C(F)C=C1[O-]	REAL300029423034	0	46	-2.0	-95.55	371.72	3.56	-91.99
CC1=CC(=O)C(C(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300029423143	0	47	-2.0	-92.58	379.76	3.13	-89.45
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC=CC(=O)N1[O-]	REAL300029423161	0	46	-2.0	-107.05	381.31	2.84	-104.21
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300029423181	0	46	-2.0	-87.94	381.35	2.37	-85.57
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=NN(C)C(=O)[N-]1	REAL300029423211	0	45	-2.0	-94.78	368.66	-0.46	-95.24
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC=C(C#N)C=C1[O-]	REAL300029423246	0	47	-2.0	-93.64	376.26	5.70	-87.94
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300029423252	0	47	-2.0	-90.19	375.16	5.70	-84.49
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC=C(F)C([O-])=C1	REAL300029423350	1	46	-2.0	-97.12	366.57	2.62	-94.50
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029423408	0	44	-2.0	-81.08	355.19	-0.71	-81.79
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029423408	1	44	-2.0	-81.08	355.19	-0.71	-81.79
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CN=C(N)NC1=O	REAL300029423448	0	46	-2.0	-85.01	356.98	1.08	-83.93
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CN=C(N)[N-]C1=O	REAL300029423448	1	46	-2.0	-85.01	356.98	1.08	-83.93
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC(=O)[N-]O1	REAL300029423545	0	42	-2.0	-92.66	346.09	-0.52	-93.18
CC1SC(C(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300029423562	0	45	-2.0	-97.16	377.84	0.02	-97.14
CC1=C([O-])N=C(C(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029423562	1	45	-2.0	-97.16	377.84	0.02	-97.14
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C(=O)C1=CC=C(O)C=C1	REAL300029423641	0	48	-2.0	-88.92	388.81	2.54	-86.38
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300029423641	1	48	-2.0	-88.92	388.81	2.54	-86.38
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC(=O)NC([O-])=C1	REAL300029423679	0	46	-2.0	-83.36	371.28	-0.12	-83.48
CCN1[N-]C(C(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029423724	0	49	-2.0	-91.74	395.68	1.99	-89.75
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC(=O)N(C)[N-]1	REAL300029423740	0	46	-2.0	-91.01	373.87	1.05	-89.96
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC1=CC(=O)NN1	REAL300029423830	0	46	-2.0	-93.91	370.25	0.16	-93.75
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)CC1=CC(=O)N[N-]1	REAL300029423830	1	46	-2.0	-93.91	370.25	0.16	-93.75
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC=C(O)C(F)=C1	REAL300029423834	0	46	-2.0	-92.90	366.54	2.65	-90.25
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC=C([O-])C(F)=C1	REAL300029423834	1	46	-2.0	-92.90	366.54	2.65	-90.25
CC1=CN=C(C(=O)N2C3CCC2C(C)C(NC(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300029423903	1	48	-2.0	-101.23	379.21	4.07	-97.16
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CC([O-])=CS1	REAL300029423916	0	43	-2.0	-93.80	348.84	2.72	-91.08
CC1C2CCC(CC1NC(=O)C1=CC(=O)[N-]O1)N2C(=O)C1=CN([O-])C(=O)C=C1	REAL300029423929	0	46	-2.0	-104.60	376.50	3.49	-101.11
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NNC(=O)[N-]C1=O	REAL300029425264	0	43	-2.0	-93.32	346.79	-3.14	-96.46
O=C(CN1C(=O)[N-]NC1=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029425360	0	45	-2.0	-96.34	358.77	-1.48	-97.82
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN([O-])C(=O)C=C1	REAL300029426013	0	45	-2.0	-105.67	357.87	3.01	-102.66
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)NC([O-])=C1	REAL300029426135	0	45	-2.0	-87.01	359.21	-1.76	-88.77
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COC(=O)[N-]1	REAL300029426146	1	41	-2.0	-87.31	330.41	-2.05	-89.36
O=C([N-]C1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(F)(F)C(F)(F)F	REAL300029426241	1	40	-2.0	-83.62	333.67	1.25	-82.37
CCN1[N-]C(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029426324	0	48	-2.0	-115.44	380.18	1.51	-113.93
O=C(CC1=CC(=O)N[N-]1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426332	1	45	-2.0	-97.98	353.76	-0.44	-98.42
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC(=S)N1[O-]	REAL300029426351	0	45	-2.0	-162.40	367.80	5.09	-157.31
O=C(CC1SC(=O)[N-]C1=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426361	0	45	-2.0	-112.40	370.55	-1.86	-114.26
CN1N=C(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300029426377	0	44	-2.0	-94.45	353.36	-0.75	-95.20
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=C[N-]N=CC1=O	REAL300029426469	0	43	-2.0	-80.53	339.46	1.09	-79.44
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N[N-]1	REAL300029426579	0	42	-2.0	-110.54	335.63	-1.13	-111.67
C[PH](C)([O-])C(=O)C(=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426584	0	47	-2.0	-87.86	374.63	0.37	-87.49
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CN([O-])C1=O	REAL300029426618	0	45	-2.0	-97.88	355.38	3.16	-94.72
CC1SC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NC1=O	REAL300029426649	0	44	-2.0	-109.41	363.04	-0.89	-110.30
CC1=C([O-])N=C(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300029426649	1	44	-2.0	-109.41	363.04	-0.89	-110.30
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)C=C(Cl)N1	REAL300029426663	0	44	-2.0	-84.95	365.38	2.23	-82.72
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)C=C(Cl)[N-]1	REAL300029426663	1	44	-2.0	-84.95	365.38	2.23	-82.72
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N([O-])C=C1	REAL300029426682	0	45	-2.0	-105.73	358.25	3.00	-102.73
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC(=O)N1[O-]	REAL300029426721	0	45	-2.0	-158.94	356.69	4.05	-154.89
O=C(C[N-]C(=O)C(F)(F)F)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426851	0	44	-2.0	-88.00	365.37	-1.18	-89.18
NC1=NC([O-])=C(CC(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300029426852	0	46	-2.0	-111.49	377.44	-1.89	-113.38
O=C(CC1=NC([O-])=CS1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426900	0	44	-2.0	-137.72	363.02	-1.09	-138.81
CCC1=NC=C(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300029426918	1	49	-2.0	-105.66	380.82	1.39	-104.27
O=C(CN1N=CC(=O)[N-]C1=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029426927	0	46	-2.0	-127.94	371.65	-2.64	-130.58
CC1=CC(=O)C(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300029427148	0	46	-2.0	-92.40	363.95	2.73	-89.67
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NNC(=O)[N-]1	REAL300029427164	0	41	-2.0	-91.53	330.59	-2.41	-93.94
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=C(C=N[O-])S1	REAL300029427286	0	44	-2.0	-115.45	371.06	0.46	-114.99
COC1=NC(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC(=O)[N-]1	REAL300029427301	0	47	-2.0	-115.53	376.35	-3.11	-118.64
CN1[N-]C(C(=O)NC2CCCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029427465	0	45	-2.0	-114.22	358.45	0.58	-113.64
O=C(CSC1=NNC(=O)[N-]1)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427472	0	45	-2.0	-94.51	369.26	-1.28	-95.79
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)[N-]C(=O)N1	REAL300029427639	0	43	-2.0	-89.76	348.36	-4.11	-93.87
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)NC(=O)[N-]1	REAL300029427639	1	43	-2.0	-84.69	349.87	-3.22	-87.91
O=C(CN1[N-]C(=O)C=CC1=O)NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029427798	0	47	-2.0	-122.66	377.41	-0.54	-123.20
O=C(NC1CCCCN(C(=O)C2=NC=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029428051	1	44	-2.0	-100.20	344.45	3.52	-96.68
O=C(NC1CCCCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1)C1=CC(=O)[N-]O1	REAL300029428182	0	43	-2.0	-91.46	343.51	-2.51	-93.97
O=C(CN1C(=O)[N-]NC1=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029428362	0	45	-2.0	-90.59	364.08	-1.21	-91.80
O=C(NC1CCCCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029429851	1	45	-2.0	-95.46	363.08	4.10	-91.36
N#CC1=CC([O-])=CC(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029429877	1	46	-2.0	-90.56	374.28	2.70	-87.86
CCC1=NC=C(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300029429969	1	49	-2.0	-95.19	388.78	1.28	-93.91
O=C(NC1CCCCN(C(=O)C2=COC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300029429988	1	41	-2.0	-102.70	331.47	-0.52	-103.22
O=C(C[N-]C(=O)C(F)(F)F)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029430059	0	44	-2.0	-109.04	369.09	-1.01	-110.05
NC1=NC([O-])=C(CC(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300029430060	0	46	-2.0	-137.58	379.13	-1.68	-139.26
O=C(NC1CCCCN(C(=O)C2=C(F)C=C([O-])C=C2F)CC1)C1=CC(=O)[N-]O1	REAL300029430070	0	45	-2.0	-84.26	362.31	2.27	-81.99
O=C(NC1CCCCN(C(=O)C2=CC=C([O-])C=C2F)CC1)C1=CC(=O)[N-]O1	REAL300029430086	1	45	-2.0	-106.79	359.25	2.29	-104.50
O=C(NC1CCCCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1)C1=CC(=O)[N-]O1	REAL300029430092	0	44	-2.0	-94.00	352.32	1.69	-92.31
N#CC1=CC=C(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C=C1[O-]	REAL300029430100	1	46	-2.0	-97.85	369.28	2.54	-95.31
O=C(NC1CCCCN(C(=O)C2=CC(Cl)=NC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029430103	0	44	-2.0	-92.55	357.90	2.21	-90.34
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029430121	0	46	-2.0	-100.66	374.09	-2.38	-103.04
CC1=CC=C([O-])C(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029430186	1	47	-2.0	-99.23	366.31	3.92	-95.31
O=C(NC1CCCCN(C(=O)C2=C[N-]N=CC2=O)CC1)C1=CC(=O)[N-]O1	REAL300029430207	0	43	-2.0	-87.36	343.41	0.60	-86.76
O=C(NC1CCCCN(C(=O)C2=CC=CC(F)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029430218	0	45	-2.0	-108.28	350.05	3.67	-104.61
O=C(NC1CCCCN(C(=O)C2=CC=CC([O-])=C2F)CC1)C1=CC(=O)[N-]O1	REAL300029430317	1	45	-2.0	-104.36	350.37	2.08	-102.28
O=C(NC1CCCCN(C(=O)C2=CC(=O)N[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300029430428	0	42	-2.0	-85.19	331.77	-0.39	-85.58
C[PH](C)([O-])C(=O)C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029430434	0	47	-2.0	-86.34	366.14	0.58	-85.76
O=C(NC1CCCCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1)C1=CC(=O)[N-]O1	REAL300029430532	0	45	-2.0	-108.35	351.36	2.52	-105.83
O=C(NC1CCCCN(C(=O)C2=NNC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300029430558	0	41	-2.0	-88.97	326.53	-1.99	-90.96
O=C(NC1CCCCN(C(=O)C2=C(O)C=CC=C2Cl)CC1)C1=CC(=O)[N-]O1	REAL300029430561	0	45	-2.0	-115.08	369.09	4.53	-110.55
O=C(NC1CCCCN(C(=O)C2=C([O-])C=CC=C2Cl)CC1)C1=CC(=O)[N-]O1	REAL300029430561	1	45	-2.0	-115.08	369.09	4.53	-110.55
O=C(NC1CCCCN(C(=O)C2=CC=CN([O-])C2=O)CC1)C1=CC(=O)[N-]O1	REAL300029430566	0	45	-2.0	-112.04	363.74	3.05	-108.99
O=C(NC1CCCCN(C(=O)C2=C(F)C=CC(O)=C2F)CC1)C1=CC(=O)[N-]O1	REAL300029430595	0	45	-2.0	-90.97	366.99	2.49	-88.48
O=C(NC1CCCCN(C(=O)C2=C(F)C=CC([O-])=C2F)CC1)C1=CC(=O)[N-]O1	REAL300029430595	1	45	-2.0	-90.97	366.99	2.49	-88.48
O=C(NC1CCCCN(C(=O)C2=CC(F)=CC=C2O)CC1)C1=CC(=O)[N-]O1	REAL300029430744	0	45	-2.0	-95.36	352.76	3.64	-91.72
O=C(NC1CCCCN(C(=O)C2=CC(F)=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029430744	1	45	-2.0	-95.36	352.76	3.64	-91.72
CC1=CC=NC(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)=C1O	REAL300029430809	0	47	-2.0	-97.84	364.23	4.16	-93.68
CC1=CC=NC(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)=C1[O-]	REAL300029430809	1	47	-2.0	-97.84	364.23	4.16	-93.68
O=C(NC1CCCCN(C(=O)C2=CN=CC([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300029430930	1	44	-2.0	-85.83	349.81	0.55	-85.28
O=C(NC1CCCCN(C(=O)C2=CC=CC(=S)N2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029430940	0	45	-2.0	-116.27	372.08	3.29	-112.98
O=C(NC1CCCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC1)C1=CC(=O)[N-]O1	REAL300029431057	0	44	-2.0	-81.96	362.00	2.37	-79.59
O=C(NC1CCCCN(C(=O)C2=CC=C([O-])C=C2Cl)CC1)C1=CC(=O)[N-]O1	REAL300029431101	1	45	-2.0	-105.49	367.90	2.72	-102.77
N#CC1=CC(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)=C([O-])C=C1N	REAL300029431103	0	48	-2.0	-94.73	380.15	1.87	-92.86
O=C(CC1=NC([O-])=CS1)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431113	0	44	-2.0	-109.94	364.60	-0.88	-110.82
O=C(NC1CCCCN(C(=O)C2=C([O-])C=CC=C2F)CC1)C1=CC(=O)[N-]O1	REAL300029431128	0	45	-2.0	-116.20	359.59	4.16	-112.04
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431130	0	47	-2.0	-95.40	379.87	-0.28	-95.68
O=C(NC1CCCCN(C(=O)C2=CC=C(F)C=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029431131	0	45	-2.0	-114.36	359.01	2.64	-111.72
CC1=CC=C(F)C([O-])=C1C(=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431168	0	48	-2.0	-101.29	375.12	3.34	-97.95
O=C(CC1SC(=O)[N-]C1=O)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029431239	0	45	-2.0	-84.07	372.93	-1.63	-85.70
O=C(NC1CCCCN(C(=O)C2=CC=C([O-])C(F)=C2F)CC1)C1=CC(=O)[N-]O1	REAL300029431264	0	45	-2.0	-93.38	359.12	2.29	-91.09
O=C(NC1CCCCN(C(=O)C2=CC=CC(Cl)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029431271	0	45	-2.0	-102.67	359.86	4.13	-98.54
CC1=CC(=O)C(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300029431300	0	46	-2.0	-90.61	360.68	3.38	-87.23
O=C(NC1CCCCN(C(=O)C2=CC=CC(=O)N2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029431326	0	45	-2.0	-108.90	358.61	2.78	-106.12
N#CC1=CC=C(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300029431356	0	45	-2.0	-86.81	362.13	0.58	-86.23
CN1N=C(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300029431408	0	44	-2.0	-92.11	350.16	-0.37	-92.48
O=C(NC1CCCCN(C(=O)C2=C(F)C=CC(O)=C2O)CC1)C1=CC(=O)[N-]O1	REAL300029431462	0	46	-2.0	-96.22	371.36	0.60	-95.62
O=C(NC1CCCCN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029431462	1	46	-2.0	-96.22	371.36	0.60	-95.62
N#CC1=CC=C([O-])C(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029431471	0	46	-2.0	-92.91	367.22	4.00	-88.91
O=C(NC1CCCCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1)C1=CC(=O)[N-]O1	REAL300029431566	0	45	-2.0	-109.94	371.41	0.43	-109.51
O=C(NC1CCCCN(C(=O)C2=CC=C(F)C(O)=C2)CC1)C1=CC(=O)[N-]O1	REAL300029431622	0	45	-2.0	-101.92	351.69	2.00	-99.92
O=C(NC1CCCCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300029431622	1	45	-2.0	-101.92	351.69	2.00	-99.92
O=C(NC1CCCCN(C(=O)C2=CC=C(Cl)C=C2O)CC1)C1=CC(=O)[N-]O1	REAL300029431641	0	45	-2.0	-114.58	369.33	3.09	-111.49
O=C(NC1CCCCN(C(=O)C2=CC=C(Cl)C=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029431641	1	45	-2.0	-114.58	369.33	3.09	-111.49
O=C(NC1CCCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL300029431713	0	43	-2.0	-86.09	344.85	-2.37	-88.46
O=C(NC1CCCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300029431713	1	43	-2.0	-106.21	346.61	-1.71	-107.92
NC1=NC=C(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300029431773	1	45	-2.0	-110.77	364.39	-0.41	-111.18
CC1=C(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)[N-]C(=O)C(C#N)=C1	REAL300029431795	0	48	-2.0	-83.42	384.87	2.70	-80.72
O=C(NC1CCCCN(C(=O)C2=CC=C(F)C([O-])=C2F)CC1)C1=CC(=O)[N-]O1	REAL300029431809	0	45	-2.0	-99.38	359.07	2.28	-97.10
COC1=NC(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)=CC(=O)[N-]1	REAL300029431856	0	47	-2.0	-89.62	372.31	-1.89	-91.51
O=C(NC1CCCCN(C(=O)C2=NC=CC(Cl)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029431866	0	44	-2.0	-120.62	361.01	3.95	-116.67
O=C(NC1CCCCN(C(=O)C2=CC=C(Cl)C([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300029431904	0	45	-2.0	-97.60	361.49	2.48	-95.12
O=C(NC1CCCCN(C(=O)C2=CC=NC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029431913	0	44	-2.0	-114.98	348.01	0.60	-114.38
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)[N-]O1	REAL300029431919	0	41	-2.0	-112.76	331.24	-0.52	-113.28
CC1=C([O-])N=C(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300029431944	1	44	-2.0	-96.68	362.05	0.27	-96.41
O=C(NC1CCCCN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC1)C1=CC(=O)[N-]O1	REAL300029432040	1	47	-2.0	-91.13	370.11	2.59	-88.54
O=C(NC1CCCCN(C(=O)C2=CN=C(C=N[O-])S2)CC1)C1=CC(=O)[N-]O1	REAL300029432063	0	44	-2.0	-124.84	363.55	-0.08	-124.92
O=C(NC1CCCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300029432087	1	44	-2.0	-82.15	361.66	3.39	-78.76
O=C(NC1CCCCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300029432111	0	45	-2.0	-85.12	351.98	-2.33	-87.45
CCN1[N-]C(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029432172	0	48	-2.0	-89.50	379.64	2.08	-87.42
CN1[N-]C(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029432193	0	45	-2.0	-110.81	358.16	1.07	-109.74
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432203	0	45	-2.0	-108.20	375.94	-0.97	-109.17
O=C(CC1=CC(=O)N[N-]1)N1CCCCC(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029432340	1	45	-2.0	-98.32	358.73	-0.17	-98.49
O=C(NC1CCCCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1)C1=CC(=O)[N-]O1	REAL300029432345	1	45	-2.0	-98.69	351.65	2.03	-96.66
O=C(NC1CCCCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC1)C1=CC(=O)[N-]O1	REAL300029432393	0	45	-2.0	-108.42	364.59	2.38	-106.04
O=C(NC1CCCCN(C(=O)C2=CC=NC(Cl)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029432398	0	44	-2.0	-94.97	357.21	2.24	-92.73
CC1=C(CC(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N(C)[N-]1	REAL300029432413	0	51	-2.0	-94.20	401.89	2.29	-91.91
CC1=CN=C(C(=O)N2CCCCC(NC(=O)C3=CC(=O)[N-]O3)CC2)C([O-])=C1	REAL300029432450	1	47	-2.0	-101.60	365.91	4.16	-97.44
O=C(NC1CCCCN(C(=O)C2=CC([O-])=CS2)CC1)C1=CC(=O)[N-]O1	REAL300029432473	0	42	-2.0	-101.12	338.64	0.97	-100.15
O=C(NC1CCCCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1)C1=CC(=O)[N-]O1	REAL300029432489	0	45	-2.0	-102.50	353.40	2.68	-99.82
O=C(NC1CCCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN([O-])C(=O)NC1=O	REAL300029432519	0	45	-2.0	-107.54	361.17	0.57	-106.97
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NNC(=O)[N-]C1=O)CC2CO	REAL300029433377	0	42	-2.0	-93.04	362.51	-6.19	-99.23
O=C(CN1C(=O)[N-]NC1=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029433430	0	44	-2.0	-99.23	379.67	-4.76	-103.99
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN([O-])C(=O)C=C1)CC2CO	REAL300029433831	0	44	-2.0	-120.26	375.22	-0.72	-120.98
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(=O)NC([O-])=C1)CC2CO	REAL300029433913	0	44	-2.0	-96.08	382.78	-5.35	-101.43
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=COC(=O)[N-]1)CC2CO	REAL300029433924	1	40	-2.0	-96.00	346.73	-4.27	-100.27
CCN1[N-]C(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029434045	0	47	-2.0	-102.67	396.16	-1.51	-104.18
O=C(CC1=CC(=O)N[N-]1)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434052	1	44	-2.0	-96.12	374.71	-3.69	-99.81
CN1N=C(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300029434075	0	43	-2.0	-95.62	368.46	-3.92	-99.54
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C[N-]N=CC1=O)CC2CO	REAL300029434134	0	42	-2.0	-98.46	359.21	-2.68	-101.14
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(=O)N[N-]1)CC2CO	REAL300029434204	0	41	-2.0	-98.35	351.09	-4.13	-102.48
C[PH](C)([O-])C(=O)C(=O)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434209	0	46	-2.0	-88.86	389.60	-3.01	-91.87
O=C(CCC1=NC(=O)NN1)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434230	0	46	-2.0	-104.65	390.97	-4.70	-109.35
O=C(CCC1=NC(=O)[N-]N1)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434230	1	46	-2.0	-104.65	390.97	-4.70	-109.35
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CN([O-])C1=O)CC2CO	REAL300029434233	0	44	-2.0	-119.46	381.02	-0.50	-119.96
CC1SC(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NC1=O	REAL300029434254	0	43	-2.0	-101.11	377.82	-3.46	-104.57
CC1=C([O-])N=C(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300029434254	1	43	-2.0	-101.11	377.82	-3.46	-104.57
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(=O)N([O-])C=C1)CC2CO	REAL300029434271	0	44	-2.0	-106.91	382.15	-0.42	-107.33
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CC(=O)N1[O-])CC2CO	REAL300029434296	0	44	-2.0	-129.54	381.23	-0.64	-130.18
O=C(CC1=NC([O-])=CS1)N1CC(CO)C2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029434411	0	43	-2.0	-107.60	380.55	-4.40	-112.00
CC1=CC(=O)C(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N[N-]1	REAL300029434569	0	45	-2.0	-93.15	379.73	-0.31	-93.46
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NC(=O)N[N-]1)CC2CO	REAL300029434579	0	40	-2.0	-91.15	345.78	-4.85	-96.00
CN1[N-]C(C(=O)N2CC(CO)C3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029434765	0	44	-2.0	-101.33	373.82	-2.41	-103.74
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NC(=O)[N-]C(=O)N1)CC2CO	REAL300029434862	0	42	-2.0	-96.49	364.13	-6.57	-103.06
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NC(=O)NC(=O)[N-]1)CC2CO	REAL300029434862	1	42	-2.0	-92.47	364.19	-5.79	-98.26
O=C(C1=NC=CC=C1[O-])N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435214	1	43	-2.0	-105.03	363.23	-0.76	-105.79
O=C(C1=NNC(=O)[N-]C1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435313	0	42	-2.0	-98.45	362.80	-6.42	-104.87
O=C(CN1C(=O)[N-]NC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029435408	0	44	-2.0	-102.05	378.84	-4.74	-106.79
N#CC1=CC([O-])=CC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)=C1	REAL300029436265	1	45	-2.0	-95.92	387.47	-0.94	-96.86
O=C(C1=COC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436333	1	40	-2.0	-99.79	346.70	-4.95	-104.74
O=C(C1=CC=C([O-])C=C1F)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436403	1	44	-2.0	-98.79	373.43	-1.16	-99.95
O=C(C1=CC([O-])=CC(=O)O1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436407	0	43	-2.0	-98.53	371.57	-1.81	-100.34
N#CC1=CC=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C=C1[O-]	REAL300029436410	1	45	-2.0	-98.93	385.70	-0.85	-99.78
CC1=CC=C([O-])C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)=N1	REAL300029436463	1	46	-2.0	-105.95	384.81	-0.19	-106.14
O=C(CCC1=NC(=O)[N-]N1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436464	1	46	-2.0	-106.08	389.24	-4.68	-110.76
O=C(C1=C[N-]N=CC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436474	0	42	-2.0	-96.16	354.31	-1.62	-97.78
O=C(C1=CC=CC(F)=C1[O-])N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436481	0	44	-2.0	-110.54	372.41	0.36	-110.18
O=C(C1=CC=CC([O-])=C1F)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436546	1	44	-2.0	-108.67	372.72	-1.17	-109.84
O=C(C1=CC(=O)N[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436618	0	41	-2.0	-95.98	351.55	-4.37	-100.35
C[PH](C)([O-])C(=O)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436623	0	46	-2.0	-90.25	384.00	-3.13	-93.38
O=C(C1=CC(=O)N([O-])C=C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436677	0	44	-2.0	-108.78	371.53	-0.73	-109.51
O=C(C1=NC(=O)N[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436694	0	40	-2.0	-97.58	345.35	-5.33	-102.91
O=C(C1=CC=CN([O-])C1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436699	0	44	-2.0	-125.82	380.36	-0.47	-126.29
O=C(C1=CC(F)=CC=C1O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436812	0	44	-2.0	-102.81	373.17	0.35	-102.46
O=C(C1=CC(F)=CC=C1[O-])N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436812	1	44	-2.0	-102.81	373.17	0.35	-102.46
CC1=CC=NC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)=C1[O-]	REAL300029436855	1	46	-2.0	-105.01	383.52	-0.09	-105.10
O=C(C1=CN=CC([O-])=C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029436915	1	43	-2.0	-98.95	361.63	-3.11	-102.06
O=C(CC1=NC([O-])=CS1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437011	0	43	-2.0	-116.18	379.69	-4.41	-120.59
O=C(C1=C([O-])C=CC=C1F)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437022	0	44	-2.0	-100.19	380.03	-0.90	-101.09
O=C(C1=CC=C(F)C=C1[O-])N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437023	0	44	-2.0	-105.22	373.17	0.35	-104.87
CC1=CC(=O)C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)=N[N-]1	REAL300029437120	0	45	-2.0	-99.15	379.95	-0.56	-99.71
O=C(C1=CC=CC(=O)N1[O-])N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437135	0	44	-2.0	-121.29	369.30	0.27	-121.02
N#CC1=CC=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C(=O)[N-]1	REAL300029437154	0	44	-2.0	-99.28	380.49	-1.66	-100.94
CN1N=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)[N-]C1=O	REAL300029437182	0	43	-2.0	-99.59	368.68	-4.11	-103.70
N#CC1=CC=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C([O-])=C1	REAL300029437215	0	45	-2.0	-102.65	387.56	0.69	-101.96
N#CC1=CC=C([O-])C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)=C1	REAL300029437221	0	45	-2.0	-100.04	387.59	0.71	-99.33
O=C(C1=CC=C(F)C([O-])=C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437313	1	44	-2.0	-103.23	371.78	-1.23	-104.46
O=C(C1=NC(=O)[N-]C(=O)N1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437365	0	42	-2.0	-87.93	364.48	-6.31	-94.24
O=C(C1=NC(=O)NC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437365	1	42	-2.0	-87.93	364.48	-6.31	-94.24
NC1=NC=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C(=O)N1	REAL300029437401	0	44	-2.0	-107.82	378.51	-3.92	-111.74
NC1=NC=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C(=O)[N-]1	REAL300029437401	1	44	-2.0	-107.82	378.51	-3.92	-111.74
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437492	0	40	-2.0	-101.06	346.57	-4.02	-105.08
CC1SC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)=NC1=O	REAL300029437509	0	43	-2.0	-107.87	378.20	-3.98	-111.85
CC1=C([O-])N=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)S1	REAL300029437509	1	43	-2.0	-107.87	378.20	-3.98	-111.85
O=C(C1=CC(=O)NC([O-])=C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437611	0	44	-2.0	-95.48	372.73	-5.66	-101.14
CCN1[N-]C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)=CC1=O	REAL300029437653	0	47	-2.0	-98.88	396.13	-1.71	-100.59
CN1[N-]C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)=CC1=O	REAL300029437669	0	44	-2.0	-98.33	374.40	-2.65	-100.98
O=C(CC1=CC(=O)NN1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437755	0	44	-2.0	-104.40	373.83	-3.69	-108.09
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437755	1	44	-2.0	-104.40	373.83	-3.69	-108.09
O=C(C1=CC=C(O)C(F)=C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437759	0	44	-2.0	-98.92	371.74	-1.19	-100.11
O=C(C1=CC=C([O-])C(F)=C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437759	1	44	-2.0	-98.92	371.74	-1.19	-100.11
CC1=CN=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C(O)=C1	REAL300029437822	0	46	-2.0	-106.49	384.68	-0.13	-106.62
CC1=CN=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CC3CO)C([O-])=C1	REAL300029437822	1	46	-2.0	-106.49	384.68	-0.13	-106.62
O=C(C1=CC([O-])=CS1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437835	0	41	-2.0	-103.83	358.84	-2.22	-106.05
O=C(C1=CN([O-])C(=O)C=C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CC2CO	REAL300029437847	0	44	-2.0	-107.45	371.10	-0.74	-108.19
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCCN(C(=O)C3=COC(=O)[N-]3)C2)C1	REAL300029438686	1	45	-2.0	-87.65	369.72	1.46	-86.19
O=C(CC1=CC(=O)N[N-]1)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438768	1	49	-2.0	-107.44	398.20	1.78	-105.66
CN1N=C(C(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300029438778	0	48	-2.0	-100.00	382.60	1.77	-98.23
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCCN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300029438811	0	47	-2.0	-93.37	387.99	2.89	-90.48
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCCN(C(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300029438847	0	46	-2.0	-93.58	365.80	1.77	-91.81
C[PH](C)([O-])C(=O)C(=O)N1CCCCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029438851	0	51	-2.0	-91.23	407.84	2.33	-88.90
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCCN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300029439041	0	45	-2.0	-103.92	356.19	1.18	-102.74
CN1[N-]C(C(=O)N2CCCCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029439140	0	49	-2.0	-94.73	397.53	3.12	-91.61
O=C(C1=CC(=O)[N-]O1)N1CCCCC(C2CN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300029439507	1	48	-2.0	-112.88	380.84	4.49	-108.39
O=C(C1=COC(=O)[N-]1)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440067	1	45	-2.0	-100.88	359.67	0.64	-100.24
O=C(C1=CC(=O)[N-]O1)N1CCCCC(C2CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300029440149	0	47	-2.0	-107.20	370.02	3.80	-103.40
O=C(C1=CC(=O)N[N-]1)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440222	0	46	-2.0	-102.48	364.06	1.07	-101.41
C[PH](C)([O-])C(=O)C(=O)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440226	0	51	-2.0	-104.05	397.07	2.29	-101.76
O=C(C1=NC(=O)N[N-]1)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440260	0	45	-2.0	-115.50	364.03	-0.12	-115.62
O=C(C1=CC(=O)[N-]O1)N1CCCCC(C2CN(C(=O)C3=CN=CC([O-])=C3)C2)C1	REAL300029440391	1	48	-2.0	-120.08	375.02	2.23	-117.85
CN1N=C(C(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300029440519	0	48	-2.0	-110.04	386.65	1.09	-108.95
O=C(C1=CC(=O)[N-]O1)N1CCCCC(C2CN(C(=O)C3=CC=NC=C3[O-])C2)C1	REAL300029440678	0	48	-2.0	-119.05	375.33	3.92	-115.13
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440681	0	45	-2.0	-95.95	369.70	1.50	-94.45
CN1[N-]C(C(=O)N2CC(C3CCCCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029440776	0	49	-2.0	-96.28	396.92	2.72	-93.56
O=C(CC1=CC(=O)N[N-]1)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440830	1	49	-2.0	-102.49	397.57	1.76	-100.73
O=C(C1=CC([O-])=CS1)N1CC(C2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029440878	0	46	-2.0	-109.66	376.57	3.04	-106.62
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300029441344	1	48	-2.0	-86.98	395.39	1.37	-85.61
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=NNC(=O)[N-]C1=O	REAL300029442311	0	41	-2.0	-90.46	350.67	-3.81	-94.27
O=C(CN1C(=O)[N-]NC1=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029442413	0	43	-2.0	-92.11	364.70	-2.14	-94.25
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CN([O-])C(=O)C=C1	REAL300029443120	0	43	-2.0	-102.99	361.65	2.35	-100.64
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CC(=O)NC([O-])=C1	REAL300029443251	0	43	-2.0	-87.17	362.12	-2.57	-89.74
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=COC(=O)[N-]1	REAL300029443262	1	39	-2.0	-87.18	335.05	-2.68	-89.86
O=C([N-]C1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C(F)(F)C(F)(F)F	REAL300029443365	1	38	-2.0	-80.95	339.76	0.64	-80.31
CCN1[N-]C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)=CC1=O	REAL300029443455	0	46	-2.0	-93.20	384.43	0.96	-92.24
O=C(CC1=CC(=O)N[N-]1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443463	1	43	-2.0	-94.95	359.69	-1.10	-96.05
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CC=CC(=S)N1[O-]	REAL300029443483	0	43	-2.0	-120.19	370.45	4.34	-115.85
O=C(CC1SC(=O)[N-]C1=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443494	0	43	-2.0	-85.78	373.35	-2.59	-88.37
CN1N=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)[N-]C1=O	REAL300029443511	0	42	-2.0	-96.38	357.13	-1.48	-97.86
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=C[N-]N=CC1=O	REAL300029443608	0	41	-2.0	-79.27	343.33	0.41	-78.86
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CC=C2N=NN([O-])C2=C1	REAL300029443644	0	45	-2.0	-107.91	379.08	0.90	-107.01
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CC(=O)N[N-]1	REAL300029443729	0	40	-2.0	-85.96	339.11	-1.75	-87.71
C[PH](C)([O-])C(=O)C(=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443734	0	45	-2.0	-91.06	378.89	-0.42	-91.48
O=C(CCC1=NC(=O)NN1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443766	0	45	-2.0	-97.25	374.95	-2.06	-99.31
O=C(CCC1=NC(=O)[N-]N1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029443766	1	45	-2.0	-97.25	374.95	-2.06	-99.31
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CC=CN([O-])C1=O	REAL300029443771	0	43	-2.0	-99.04	359.41	2.48	-96.56
CC1SC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)=NC1=O	REAL300029443806	0	42	-2.0	-93.52	365.65	-1.61	-95.13
CC1=C([O-])N=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)S1	REAL300029443806	1	42	-2.0	-93.52	365.65	-1.61	-95.13
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CC(=O)C=C(Cl)N1	REAL300029443820	0	42	-2.0	-82.77	369.26	1.55	-81.22
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300029443820	1	42	-2.0	-82.77	369.26	1.55	-81.22
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CC(=O)N([O-])C=C1	REAL300029443840	0	43	-2.0	-109.08	362.89	2.38	-106.70
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CC=CC(=O)N1[O-]	REAL300029443883	0	43	-2.0	-116.67	359.34	3.32	-113.35
O=C(C[N-]C(=O)C(F)(F)F)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444021	0	42	-2.0	-90.72	370.01	-1.80	-92.52
NC1=NC([O-])=C(CC(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)S1	REAL300029444022	0	44	-2.0	-104.66	380.35	-2.68	-107.34
O=C(CC1=NC([O-])=CS1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444074	0	42	-2.0	-105.88	365.54	-1.81	-107.69
CCC1=NC=C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C(=O)[N-]1	REAL300029444095	1	47	-2.0	-93.74	385.28	0.79	-92.95
O=C(CN1N=CC(=O)[N-]C1=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444106	0	44	-2.0	-96.46	375.03	-3.25	-99.71
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=C(Cl)C(=O)[N-]S1	REAL300029444171	0	39	-2.0	-90.75	357.04	-0.36	-91.11
CC1=CC(=O)C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)=N[N-]1	REAL300029444346	0	44	-2.0	-89.47	367.83	2.05	-87.42
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=NC(=O)N[N-]1	REAL300029444362	0	39	-2.0	-87.31	334.28	-2.99	-90.30
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CN=C(C=N[O-])S1	REAL300029444496	0	42	-2.0	-103.18	375.45	-0.14	-103.32
COC1=NC(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)=CC(=O)[N-]1	REAL300029444512	0	45	-2.0	-90.14	379.83	-3.72	-93.86
CN1[N-]C(C(=O)NC2CC3CN(C(=O)C4=CC(=O)[N-]O4)CC3C2)=CC1=O	REAL300029444691	0	43	-2.0	-90.41	362.51	0.02	-90.39
O=C(CSC1=NNC(=O)[N-]1)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029444699	0	43	-2.0	-90.80	376.01	-1.91	-92.71
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=NC(=O)[N-]C(=O)N1	REAL300029444874	0	41	-2.0	-89.78	352.23	-4.78	-94.56
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=NC(=O)NC(=O)[N-]1	REAL300029444874	1	41	-2.0	-83.29	352.88	-4.03	-87.32
O=C(CN1[N-]C(=O)C=CC1=O)NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029445043	0	45	-2.0	-92.88	380.81	-1.16	-94.04
O=C(NC1CC2CN(C(=O)C3=NC=CC=C3[O-])CC2C1)C1=CC(=O)[N-]O1	REAL300029445297	1	42	-2.0	-100.02	350.69	2.32	-97.70
O=C(NC1CC2CN(C(=O)C3=NNC(=O)[N-]C3=O)CC2C1)C1=CC(=O)[N-]O1	REAL300029445432	0	41	-2.0	-91.76	350.27	-3.46	-95.22
O=C(CN1C(=O)[N-]NC1=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029445625	0	43	-2.0	-96.26	368.26	-1.97	-98.23
O=C(NC1CC2CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC2C1)C1=CC(=O)[N-]O1	REAL300029446589	1	48	-2.0	-96.93	404.29	1.21	-95.72
O=C(NC1CC2CN(C(=O)C3=CC(Cl)=CC=C3[O-])CC2C1)C1=CC(=O)[N-]O1	REAL300029447277	1	43	-2.0	-101.60	373.19	3.47	-98.13
N#CC1=CC([O-])=CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=C1	REAL300029447304	1	44	-2.0	-93.12	376.94	1.95	-91.17
CCC1=NC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C(=O)[N-]1	REAL300029447403	1	47	-2.0	-90.21	388.11	0.36	-89.85
O=C(NC1CC2CN(C(=O)C3=COC(=O)[N-]3)CC2C1)C1=CC(=O)[N-]O1	REAL300029447423	1	39	-2.0	-86.21	334.00	-1.49	-87.70
O=C(C[N-]C(=O)C(F)(F)F)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447500	0	42	-2.0	-89.04	372.72	-1.68	-90.72
NC1=NC([O-])=C(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)S1	REAL300029447501	0	44	-2.0	-106.63	383.45	-2.57	-109.20
O=C(NC1CC2CN(C(=O)C3=C(F)C=C([O-])C=C3F)CC2C1)C1=CC(=O)[N-]O1	REAL300029447511	0	43	-2.0	-88.79	376.08	1.93	-86.86
O=C(NC1CC2CN(C(=O)C3=CC=C([O-])C=C3F)CC2C1)C1=CC(=O)[N-]O1	REAL300029447527	1	43	-2.0	-90.18	362.59	1.59	-88.59
O=C(NC1CC2CN(C(=O)C3=CC([O-])=CC(=O)O3)CC2C1)C1=CC(=O)[N-]O1	REAL300029447533	0	42	-2.0	-88.61	359.45	1.07	-87.54
N#CC1=CC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C=C1[O-]	REAL300029447542	1	44	-2.0	-87.48	376.79	1.93	-85.55
O=C(NC1CC2CN(C(=O)C3=CC(Cl)=NC=C3[O-])CC2C1)C1=CC(=O)[N-]O1	REAL300029447546	0	42	-2.0	-97.38	368.40	1.55	-95.83
N#CC1=CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=C(N)[N-]C1=O	REAL300029447552	0	45	-2.0	-88.10	390.55	-1.22	-89.32
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447569	0	44	-2.0	-97.11	378.14	-3.16	-100.27
CC1=CC=C([O-])C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=N1	REAL300029447640	1	45	-2.0	-102.04	372.37	2.89	-99.15
O=C(CCC1=NNC(=O)[N-]1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447642	0	45	-2.0	-93.00	378.69	-1.39	-94.39
O=C(NC1CC2CN(C(=O)C3=C[N-]N=CC3=O)CC2C1)C1=CC(=O)[N-]O1	REAL300029447661	0	41	-2.0	-86.48	352.82	0.16	-86.32
O=C(NC1CC2CN(C(=O)C3=CC=CC(F)=C3[O-])CC2C1)C1=CC(=O)[N-]O1	REAL300029447672	0	43	-2.0	-110.90	362.68	3.02	-107.88
O=C(NC1CC2CN(C(=O)C3=CC=CC([O-])=C3F)CC2C1)C1=CC(=O)[N-]O1	REAL300029447776	1	43	-2.0	-106.58	362.93	1.68	-104.90
O=C(NC1CC2CN(C(=O)C3=CC(=O)N[N-]3)CC2C1)C1=CC(=O)[N-]O1	REAL300029447901	0	40	-2.0	-88.77	338.96	-1.32	-90.09
C[PH](C)([O-])C(=O)C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029447907	0	45	-2.0	-86.09	372.53	-0.26	-86.35
CN1[N-]C(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=CC1=O	REAL300029447912	0	46	-2.0	-97.15	385.55	0.74	-96.41
O=C(NC1CC2CN(C(=O)C3=CC(F)=CC(F)=C3[O-])CC2C1)C1=CC(=O)[N-]O1	REAL300029447987	0	43	-2.0	-101.44	369.20	3.06	-98.38
O=C(NC1CC2CN(C(=O)C3=CC(=O)N([O-])C=C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029448015	0	43	-2.0	-100.22	369.82	2.33	-97.89
O=C(NC1CC2CN(C(=O)C3=NC(=O)N[N-]3)CC2C1)C1=CC(=O)[N-]O1	REAL300029448044	0	39	-2.0	-88.12	333.86	-2.06	-90.18
O=C(NC1CC2CN(C(=O)C3=C([O-])C=CC=C3Cl)CC2C1)C1=CC(=O)[N-]O1	REAL300029448048	1	43	-2.0	-95.02	378.73	2.24	-92.78
O=C(NC1CC2CN(C(=O)C3=CC=CN([O-])C3=O)CC2C1)C1=CC(=O)[N-]O1	REAL300029448053	0	43	-2.0	-109.91	369.14	2.28	-107.63
O=C(NC1CC2CN(C(=O)C3=C(F)C=CC([O-])=C3F)CC2C1)C1=CC(=O)[N-]O1	REAL300029448083	1	43	-2.0	-96.80	375.78	1.92	-94.88
NC1=CC(=O)[N-]C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=N1	REAL300029448181	0	43	-2.0	-99.14	363.74	-1.69	-100.83
O=C(NC1CC2CN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029448240	0	43	-2.0	-87.22	372.61	2.07	-85.15
O=C(NC1CC2CN(C(=O)C3=CC(F)=CC=C3[O-])CC2C1)C1=CC(=O)[N-]O1	REAL300029448245	1	43	-2.0	-100.78	362.87	3.02	-97.76
CC1=CC=NC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=C1[O-]	REAL300029448312	1	45	-2.0	-101.20	371.09	3.01	-98.19
O=C(NC1CC2CN(C(=O)C3=CN=CC([O-])=C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029448443	1	42	-2.0	-95.77	350.91	-0.30	-96.07
O=C(NC1CC2CN(C(=O)C3=CC=CC(=S)N3[O-])CC2C1)C1=CC(=O)[N-]O1	REAL300029448453	0	43	-2.0	-122.81	380.35	2.81	-120.00
O=C(NC1CC2CN(C(=O)C3=CC=C([O-])C(Cl)=N3)CC2C1)C1=CC(=O)[N-]O1	REAL300029448581	0	42	-2.0	-85.74	369.85	1.20	-84.54
O=C(NC1CC2CN(C(=O)C3=CC=C([O-])C=C3Cl)CC2C1)C1=CC(=O)[N-]O1	REAL300029448627	1	43	-2.0	-88.84	371.30	2.02	-86.82
N#CC1=CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=C([O-])C=C1N	REAL300029448629	0	46	-2.0	-95.60	389.65	1.03	-94.57
O=C(CC1=NC([O-])=CS1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448639	0	42	-2.0	-105.62	368.64	-1.70	-107.32
O=C(NC1CC2CN(C(=O)C3=C([O-])C=CC=C3F)CC2C1)C1=CC(=O)[N-]O1	REAL300029448654	0	43	-2.0	-98.08	369.23	1.86	-96.22
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448656	0	45	-2.0	-93.44	383.91	-1.06	-94.50
O=C(NC1CC2CN(C(=O)C3=CC=C(F)C=C3[O-])CC2C1)C1=CC(=O)[N-]O1	REAL300029448658	0	43	-2.0	-99.31	362.37	2.80	-96.51
CC1=CC=C(F)C([O-])=C1C(=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448698	0	46	-2.0	-107.84	388.86	2.49	-105.35
O=C(CC1SC(=O)[N-]C1=O)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448773	0	43	-2.0	-85.27	376.29	-2.45	-87.72
O=C(NC1CC2CN(C(=O)C3=CC=C([O-])C(F)=C3F)CC2C1)C1=CC(=O)[N-]O1	REAL300029448799	0	43	-2.0	-91.92	368.58	1.66	-90.26
O=C(NC1CC2CN(C(=O)C3=CC=CC(Cl)=C3[O-])CC2C1)C1=CC(=O)[N-]O1	REAL300029448806	0	43	-2.0	-105.24	372.49	3.49	-101.75
CC1=CC(=O)C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=N[N-]1	REAL300029448837	0	44	-2.0	-91.79	367.43	2.40	-89.39
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029448841	0	48	-2.0	-107.33	399.75	2.08	-105.25
O=C(NC1CC2CN(C(=O)C3=CC=CC(=O)N3[O-])CC2C1)C1=CC(=O)[N-]O1	REAL300029448865	0	43	-2.0	-119.07	369.24	2.17	-116.90
N#CC1=CC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C(=O)[N-]1	REAL300029448898	0	43	-2.0	-90.47	378.85	-0.01	-90.48
CN1N=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)[N-]C1=O	REAL300029448953	0	42	-2.0	-95.71	356.54	-1.12	-96.83
[N-]=[N+]=NC1=CC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=CC=C1[O-]	REAL300029448979	0	45	-2.0	-85.21	384.45	-0.64	-85.85
O=C(NC1CC2CN(C(=O)C3=C(F)C=CC(O)=C3O)CC2C1)C1=CC(=O)[N-]O1	REAL300029449015	0	44	-2.0	-98.04	380.15	0.01	-98.03
O=C(NC1CC2CN(C(=O)C3=C(F)C=CC(O)=C3[O-])CC2C1)C1=CC(=O)[N-]O1	REAL300029449015	1	44	-2.0	-98.04	380.15	0.01	-98.03
N#CC1=CC=C([O-])C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=C1	REAL300029449025	0	44	-2.0	-97.68	377.31	3.37	-94.31
O=C(NC1CC2CN(C(=O)C3=CN([O-])C(=O)NC3=O)CC2C1)C1=CC(=O)[N-]O1	REAL300029449127	0	43	-2.0	-92.41	373.73	-0.27	-92.68
O=C(NC1CC2CN(C(=O)C3=CC=C(F)C(O)=C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029449186	0	43	-2.0	-90.91	362.00	1.54	-89.37
O=C(NC1CC2CN(C(=O)C3=CC=C(F)C([O-])=C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029449186	1	43	-2.0	-90.91	362.00	1.54	-89.37
O=C(NC1CC2CN(C(=O)C3=CC=C(Cl)C=C3O)CC2C1)C1=CC(=O)[N-]O1	REAL300029449206	0	43	-2.0	-99.36	372.69	3.26	-96.10
O=C(NC1CC2CN(C(=O)C3=CC=C(Cl)C=C3[O-])CC2C1)C1=CC(=O)[N-]O1	REAL300029449206	1	43	-2.0	-99.36	372.69	3.26	-96.10
O=C(NC1CC2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)CC2C1)C1=CC(=O)[N-]O1	REAL300029449284	0	41	-2.0	-89.52	352.13	-3.77	-93.29
O=C(NC1CC2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)CC2C1)C1=CC(=O)[N-]O1	REAL300029449284	1	41	-2.0	-82.99	352.47	-3.05	-86.04
O=C(NC1CC2CN(C(=O)C3=CC=C4N=NN([O-])C4=C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029449305	0	45	-2.0	-91.31	378.33	0.61	-90.70
O=C(NC1CC2CN(C(=O)C3=C(Cl)C(=O)[N-]S3)CC2C1)C1=CC(=O)[N-]O1	REAL300029449336	0	39	-2.0	-90.80	355.38	-0.63	-91.43
NC1=NC=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C(=O)[N-]1	REAL300029449354	1	43	-2.0	-90.63	361.48	-1.28	-91.91
CC1=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)[N-]C(=O)C(C#N)=C1	REAL300029449380	0	46	-2.0	-82.58	388.44	1.91	-80.67
O=C(NC1CC2CN(C(=O)C3=CC=C(F)C([O-])=C3F)CC2C1)C1=CC(=O)[N-]O1	REAL300029449397	0	43	-2.0	-100.82	368.54	1.63	-99.19
COC1=NC(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=CC(=O)[N-]1	REAL300029449448	0	45	-2.0	-93.46	376.70	-2.86	-96.32
O=C(NC1CC2CN(C(=O)C3=CC=C4N[N-]N=C4C3=O)CC2C1)C1=CC(=O)[N-]O1	REAL300029449449	0	45	-2.0	-93.23	383.24	0.29	-92.94
O=C(NC1CC2CN(C(=O)C3=NC=CC(Cl)=C3[O-])CC2C1)C1=CC(=O)[N-]O1	REAL300029449459	0	42	-2.0	-97.30	366.96	2.83	-94.47
O=C(NC1CC2CN(C(=O)C3=CC=C(Cl)C([O-])=C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029449499	0	43	-2.0	-94.95	371.79	2.03	-92.92
O=C(NC1CC2CN(C(=O)C3=CC=NC=C3[O-])CC2C1)C1=CC(=O)[N-]O1	REAL300029449509	0	42	-2.0	-99.25	350.96	0.88	-98.37
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CC(=O)[N-]O1	REAL300029449515	0	39	-2.0	-90.33	333.85	-1.25	-91.58
CC1=C([O-])N=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)S1	REAL300029449541	1	42	-2.0	-93.66	365.81	-0.65	-94.31
O=C(NC1CC2CN(C(=O)C(=O)C3=CC=C([O-])C=C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029449640	1	45	-2.0	-90.71	376.85	1.85	-88.86
O=C(NC1CC2CN(C(=O)C3=CN=C(C=N[O-])S3)CC2C1)C1=CC(=O)[N-]O1	REAL300029449666	0	42	-2.0	-99.99	372.37	-0.47	-100.46
O=C(NC1CC2CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)CC2C1)C1=CC(=O)[N-]O1	REAL300029449691	1	42	-2.0	-84.22	368.67	2.14	-82.08
O=C(NC1CC2CN(C(=O)C3=CC(=O)NC([O-])=C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029449716	0	43	-2.0	-89.07	370.72	-2.54	-91.61
CCN1[N-]C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=CC1=O	REAL300029449780	0	46	-2.0	-90.79	383.79	1.28	-89.51
CN1[N-]C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=CC1=O	REAL300029449802	0	43	-2.0	-92.27	361.80	0.40	-91.87
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449814	0	43	-2.0	-92.71	379.57	-1.68	-94.39
O=C(CC1=CC(=O)N[N-]1)N1CC2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029449962	1	43	-2.0	-94.78	362.79	-0.98	-95.76
O=C(NC1CC2CN(C(=O)C3=CC=C([O-])C(F)=C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029449967	1	43	-2.0	-92.24	361.96	1.58	-90.66
O=C(NC1CC2CN(C(=O)C3=CC(F)=C([O-])C(F)=C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029450021	0	43	-2.0	-93.11	368.48	1.73	-91.38
O=C(NC1CC2CN(C(=O)C3=CC=NC(Cl)=C3[O-])CC2C1)C1=CC(=O)[N-]O1	REAL300029450027	0	42	-2.0	-102.37	367.71	1.57	-100.80
CC1=C(CC(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C(=O)N(C)[N-]1	REAL300029450042	0	49	-2.0	-102.43	406.13	1.49	-100.94
CC1=CN=C(C(=O)N2CC3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C([O-])=C1	REAL300029450080	1	45	-2.0	-105.51	372.90	2.95	-102.56
O=C(NC1CC2CN(C(=O)C3=CC([O-])=CS3)CC2C1)C1=CC(=O)[N-]O1	REAL300029450105	0	40	-2.0	-100.43	346.96	0.46	-99.97
O=C(NC1CC2CN(C(=O)C3=CN([O-])C(=O)C=C3)CC2C1)C1=CC(=O)[N-]O1	REAL300029450121	0	43	-2.0	-103.08	369.06	2.34	-100.74
O=C(NC1CC2CN(C(=O)C3=CC(=O)[N-]O3)CC2C1)C1=CN([O-])C(=O)NC1=O	REAL300029450156	0	43	-2.0	-86.62	364.67	-0.03	-86.65
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300029451076	0	44	-2.0	-121.79	359.02	-1.84	-123.63
O=C(CN1C(=O)[N-]NC1=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451137	0	46	-2.0	-114.99	375.79	-0.25	-115.24
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300029451565	0	46	-2.0	-114.72	379.04	3.77	-110.95
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300029451653	0	46	-2.0	-109.06	367.20	-1.44	-110.50
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C1=COC(=O)[N-]1)C2	REAL300029451664	1	42	-2.0	-103.41	342.79	0.64	-102.77
CCN1[N-]C(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029451788	0	49	-2.0	-117.03	392.18	2.90	-114.13
O=C(CC1=CC(=O)N[N-]1)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451795	1	46	-2.0	-121.07	373.55	0.66	-120.41
CN1N=C(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300029451822	0	45	-2.0	-121.27	365.23	0.42	-120.85
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300029451885	0	44	-2.0	-116.91	361.72	1.56	-115.35
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300029451956	0	43	-2.0	-112.25	347.63	0.26	-111.99
C[PH](C)([O-])C(=O)C(=O)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029451961	0	48	-2.0	-94.78	384.56	1.30	-93.48
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300029451986	0	46	-2.0	-143.61	378.44	3.79	-139.82
CC1SC(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NC1=O	REAL300029452007	0	45	-2.0	-107.96	374.64	1.25	-106.71
CC1=C([O-])N=C(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300029452007	1	45	-2.0	-107.96	374.64	1.25	-106.71
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300029452025	0	46	-2.0	-115.58	379.26	3.81	-111.77
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300029452050	0	46	-2.0	-129.36	377.52	3.50	-125.86
O=C(CC1=NC([O-])=CS1)N1CCCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029452169	0	45	-2.0	-132.99	377.88	-0.21	-133.20
CC1=CC(=O)C(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N[N-]1	REAL300029452339	0	47	-2.0	-92.97	374.14	4.18	-88.79
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300029452350	0	42	-2.0	-107.34	342.56	-0.19	-107.53
CN1[N-]C(C(=O)N2CCCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029452551	0	46	-2.0	-115.78	370.37	1.97	-113.81
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300029452657	0	44	-2.0	-105.32	360.53	-1.76	-107.08
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300029452657	1	44	-2.0	-97.82	354.39	-0.74	-98.56
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300029453012	1	45	-2.0	-114.27	359.59	3.48	-110.79
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300029453115	0	44	-2.0	-92.32	358.70	-2.08	-94.40
O=C(CN1C(=O)[N-]NC1=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029453223	0	46	-2.0	-108.22	375.75	-0.54	-108.76
N#CC1=CC([O-])=CC(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029454159	1	47	-2.0	-110.25	382.90	3.26	-106.99
O=C(C1=COC(=O)[N-]1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454229	1	42	-2.0	-114.69	343.09	-0.67	-115.36
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3=CC=C([O-])C=C3F)C2)C1	REAL300029454302	1	46	-2.0	-110.06	369.36	3.04	-107.02
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3=CC([O-])=CC(=O)O3)C2)C1	REAL300029454307	0	45	-2.0	-111.68	367.89	2.45	-109.23
N#CC1=CC=C(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1[O-]	REAL300029454310	1	47	-2.0	-107.73	382.18	3.32	-104.41
CC1=CC=C([O-])C(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300029454369	1	48	-2.0	-111.61	378.67	4.39	-107.22
O=C(CCC1=NC(=O)[N-]N1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454370	1	48	-2.0	-107.10	385.15	-0.30	-107.40
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300029454381	0	44	-2.0	-97.31	348.29	2.90	-94.41
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3=CC=CC(F)=C3[O-])C2)C1	REAL300029454388	0	46	-2.0	-105.58	368.37	4.59	-100.99
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3=CC=CC([O-])=C3F)C2)C1	REAL300029454460	1	46	-2.0	-102.80	368.68	3.08	-99.72
O=C(C1=CC(=O)N[N-]1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454535	0	43	-2.0	-87.69	347.41	-0.02	-87.71
C[PH](C)([O-])C(=O)C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454541	0	48	-2.0	-105.13	386.59	1.09	-104.04
O=C(C1=CC(=O)N([O-])C=C1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454600	0	46	-2.0	-107.72	367.51	3.61	-104.11
O=C(C1=NC(=O)N[N-]1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454617	0	42	-2.0	-114.07	342.65	-1.13	-115.20
O=C(C1=CC=CN([O-])C1=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454622	0	46	-2.0	-142.52	376.28	3.74	-138.78
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3=CC(F)=CC=C3O)C2)C1	REAL300029454742	0	46	-2.0	-114.02	369.14	4.56	-109.46
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3=CC(F)=CC=C3[O-])C2)C1	REAL300029454742	1	46	-2.0	-114.02	369.14	4.56	-109.46
CC1=CC=NC(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1O	REAL300029454789	0	48	-2.0	-99.82	379.40	4.27	-95.55
CC1=CC=NC(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1[O-]	REAL300029454789	1	48	-2.0	-99.82	379.40	4.27	-95.55
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3=CN=CC([O-])=C3)C2)C1	REAL300029454857	1	45	-2.0	-114.25	357.04	1.09	-113.16
O=C(CC1=NC([O-])=CS1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029454959	0	45	-2.0	-117.56	376.64	-0.22	-117.78
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3=C([O-])C=CC=C3F)C2)C1	REAL300029454972	0	46	-2.0	-107.43	374.44	3.62	-103.81
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3=CC=C(F)C=C3[O-])C2)C1	REAL300029454973	0	46	-2.0	-115.14	369.09	4.57	-110.57
CC1=CC(=O)C(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300029455082	0	47	-2.0	-111.32	376.34	3.69	-107.63
O=C(C1=CC=CC(=O)N1[O-])N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455100	0	46	-2.0	-127.96	365.20	4.47	-123.49
N#CC1=CC=C(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029455120	0	46	-2.0	-104.19	373.94	2.87	-101.32
CN1N=C(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300029455150	0	45	-2.0	-94.31	364.86	0.19	-94.12
N#CC1=CC=C(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300029455185	0	47	-2.0	-111.80	383.47	4.90	-106.90
N#CC1=CC=C([O-])C(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029455191	0	47	-2.0	-110.29	383.56	4.90	-105.39
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3=CC=C(F)C([O-])=C3)C2)C1	REAL300029455289	1	46	-2.0	-101.68	367.80	3.11	-98.57
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300029455347	0	44	-2.0	-85.09	360.81	-1.99	-87.08
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1	REAL300029455347	1	44	-2.0	-85.09	360.81	-1.99	-87.08
NC1=NC=C(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300029455387	0	46	-2.0	-123.24	374.44	0.31	-122.93
NC1=NC=C(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029455387	1	46	-2.0	-123.24	374.44	0.31	-122.93
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455484	0	42	-2.0	-114.27	342.95	0.23	-114.04
CC1SC(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300029455501	0	45	-2.0	-124.50	374.57	0.28	-124.22
CC1=C([O-])N=C(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029455501	1	45	-2.0	-124.50	374.57	0.28	-124.22
O=C(C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C(O)C=C1	REAL300029455580	0	48	-2.0	-106.04	384.86	3.13	-102.91
O=C(C(=O)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([O-])C=C1	REAL300029455580	1	48	-2.0	-106.04	384.86	3.13	-102.91
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300029455618	0	46	-2.0	-99.37	366.96	-1.31	-100.68
CCN1[N-]C(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029455663	0	49	-2.0	-90.98	391.94	2.61	-88.37
CN1[N-]C(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029455679	0	46	-2.0	-90.25	370.22	1.68	-88.57
O=C(CC1=CC(=O)NN1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455769	0	46	-2.0	-106.27	370.79	0.49	-105.78
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455769	1	46	-2.0	-106.27	370.79	0.49	-105.78
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3=CC=C(O)C(F)=C3)C2)C1	REAL300029455773	0	46	-2.0	-102.34	367.77	3.14	-99.20
O=C(C1=CC(=O)[N-]O1)N1CCCCC2(CN(C(=O)C3=CC=C([O-])C(F)=C3)C2)C1	REAL300029455773	1	46	-2.0	-102.34	367.77	3.14	-99.20
CC1=CN=C(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C(O)=C1	REAL300029455842	0	48	-2.0	-101.44	380.53	4.22	-97.22
CC1=CN=C(C(=O)N2CC3(C2)CCCCN(C(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300029455842	1	48	-2.0	-101.44	380.53	4.22	-97.22
O=C(C1=CC([O-])=CS1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455855	0	43	-2.0	-97.40	354.64	2.08	-95.32
O=C(C1=CN([O-])C(=O)C=C1)N1CC2(C1)CCCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029455868	0	46	-2.0	-116.79	367.61	3.44	-113.35
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CN=C(C2CC2)[N-]C1=O	REAL300029456392	1	45	-2.0	-92.42	381.98	1.14	-91.28
O=C(CCCN1C(=O)[N-]NC1=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457029	0	46	-2.0	-92.11	392.06	-1.56	-93.67
O=C(CCC1=NNC(=O)[N-]C1=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457236	0	44	-2.0	-90.80	379.78	-4.26	-95.06
CC(=O)[N-]C1=NC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CS1	REAL300029457237	1	42	-2.0	-87.13	375.73	-0.44	-87.57
O=C(CCN1C=C[N-]C(=O)C1=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457392	1	45	-2.0	-99.51	387.41	0.24	-99.27
COC1=C(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)NC(=O)[N-]C1=O	REAL300029457500	1	43	-2.0	-93.47	370.75	-2.96	-96.43
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=NNC(=O)[N-]C1=O	REAL300029457621	0	38	-2.0	-91.40	337.09	-4.23	-95.63
O=C(CN1C(=O)[N-]NC1=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457729	0	40	-2.0	-92.49	349.55	-2.75	-95.24
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029457866	0	44	-2.0	-95.54	382.50	0.25	-95.29
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CN([O-])C(=O)C=C1	REAL300029458570	0	40	-2.0	-102.84	348.39	2.12	-100.72
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC(=O)NC([O-])=C1	REAL300029458732	0	40	-2.0	-88.64	348.87	-2.82	-91.46
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=COC(=O)[N-]1	REAL300029458745	1	36	-2.0	-91.02	320.77	-2.98	-94.00
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CN=C(C2CCC2)[N-]C1=O	REAL300029458794	1	48	-2.0	-92.44	397.74	1.69	-90.75
CCN1[N-]C(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC1=O	REAL300029458965	0	43	-2.0	-91.27	370.15	0.63	-90.64
O=C(CC1=CC(=O)N[N-]1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029458973	1	40	-2.0	-95.23	346.44	-1.34	-96.57
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC=CC(=S)N1[O-]	REAL300029458994	0	40	-2.0	-116.85	357.02	3.94	-112.91
O=C(CC1SC(=O)[N-]C1=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459010	0	40	-2.0	-87.80	359.55	-2.83	-90.63
CN1N=C(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)[N-]C1=O	REAL300029459026	0	39	-2.0	-93.98	342.78	-1.78	-95.76
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=C[N-]N=CC1=O	REAL300029459144	0	38	-2.0	-82.93	329.83	0.15	-82.78
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC=C2N=NN([O-])C2=C1	REAL300029459182	0	42	-2.0	-98.93	364.95	0.59	-98.34
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC(=O)N[N-]1	REAL300029459275	0	37	-2.0	-88.74	325.76	-1.98	-90.72
C[PH](C)([O-])C(=O)C(=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459279	0	42	-2.0	-87.91	364.30	-0.67	-88.58
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC=CN([O-])C1=O	REAL300029459322	0	40	-2.0	-104.60	345.96	2.26	-102.34
CSC1=NC=C(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C(=O)N1	REAL300029459341	0	42	-2.0	-90.91	372.10	0.07	-90.84
CSC1=NC=C(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C(=O)[N-]1	REAL300029459341	1	42	-2.0	-90.91	372.10	0.07	-90.84
CC1SC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=NC1=O	REAL300029459362	0	39	-2.0	-98.59	352.30	-1.87	-100.46
CC1=C([O-])N=C(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)S1	REAL300029459362	1	39	-2.0	-98.59	352.30	-1.87	-100.46
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC(=O)C=C(Cl)N1	REAL300029459382	0	39	-2.0	-84.98	355.69	1.30	-83.68
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC(=O)C=C(Cl)[N-]1	REAL300029459382	1	39	-2.0	-84.98	355.69	1.30	-83.68
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC(=O)N([O-])C=C1	REAL300029459400	0	40	-2.0	-103.94	348.76	2.10	-101.84
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC=CC(=O)N1[O-]	REAL300029459457	0	40	-2.0	-114.41	345.91	2.93	-111.48
NC1=NC([O-])=C(CC(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)S1	REAL300029459627	0	41	-2.0	-103.71	366.87	-2.95	-106.66
O=C(CC1=NC([O-])=CS1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029459686	0	39	-2.0	-106.59	352.29	-2.06	-108.65
CCC1=NC=C(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C(=O)N1	REAL300029459709	0	44	-2.0	-89.80	370.85	0.55	-89.25
CCC1=NC=C(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C(=O)[N-]1	REAL300029459709	1	44	-2.0	-89.80	370.85	0.55	-89.25
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=C(Cl)C(=O)[N-]S1	REAL300029459798	0	36	-2.0	-88.93	343.18	-0.71	-89.64
COCC1=NC=C(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C(=O)[N-]1	REAL300029459901	1	45	-2.0	-90.52	383.78	-1.21	-91.73
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CN=C(CC2CC2)[N-]C1=O	REAL300029459913	1	48	-2.0	-91.09	401.82	2.15	-88.94
CC1=CC(=O)C(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=N[N-]1	REAL300029460001	0	41	-2.0	-91.51	354.29	1.63	-89.88
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=NC(=O)N[N-]1	REAL300029460021	0	36	-2.0	-90.90	320.36	-3.26	-94.16
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029460039	1	41	-2.0	-89.43	362.95	1.06	-88.37
CC1=NC2=NC=C(C(=O)NC3(C4CN(C(=O)C5=CC(=O)[N-]O5)C4)CC3)C(=O)N2[N-]1	REAL300029460063	0	44	-2.0	-89.74	378.15	3.32	-86.42
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CN=C(C=N[O-])S1	REAL300029460166	0	39	-2.0	-100.02	361.12	-0.38	-100.40
COC1=NC(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC(=O)[N-]1	REAL300029460186	0	42	-2.0	-91.64	366.48	-3.94	-95.58
CN1[N-]C(C(=O)NC2(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC1=O	REAL300029460395	0	40	-2.0	-90.50	348.34	-0.30	-90.80
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460407	0	40	-2.0	-90.86	360.85	-2.51	-93.37
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=NC(=O)[N-]C(=O)N1	REAL300029460604	0	38	-2.0	-94.35	338.89	-5.03	-99.38
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=NC(=O)NC(=O)[N-]1	REAL300029460604	1	38	-2.0	-83.40	337.66	-4.64	-88.04
O=C(COC1=NC(=O)[N-]C(=O)N1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460673	0	42	-2.0	-92.62	370.79	-6.36	-98.98
O=C(COC1=NC(=O)NC(=O)[N-]1)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460673	1	42	-2.0	-86.56	370.71	-6.30	-92.86
O=C(CN1[N-]C(=O)C=CC1=O)NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029460813	0	42	-2.0	-93.47	365.07	-1.65	-95.12
O=C(NC1(C2CN(C(=O)C3=NC=CC=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029461069	1	39	-2.0	-103.08	336.97	1.74	-101.34
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029461196	1	45	-2.0	-101.24	389.20	0.32	-100.92
CC(=O)[N-]C1=NC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=CS1	REAL300029461214	1	42	-2.0	-86.69	375.43	-0.12	-86.81
O=C(NC1(C2CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029461250	0	38	-2.0	-92.82	334.88	-4.26	-97.08
COC1=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)NC(=O)[N-]C1=O	REAL300029461312	1	43	-2.0	-94.28	369.13	-2.73	-97.01
O=C(CN1C(=O)[N-]NC1=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029461512	0	40	-2.0	-95.52	353.22	-2.30	-97.82
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029461579	0	44	-2.0	-98.10	385.01	0.26	-97.84
O=C(CCCN1C(=O)[N-]NC1=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029462692	0	46	-2.0	-94.90	395.88	-1.08	-95.98
O=C(NC1(C2CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029462939	1	45	-2.0	-95.97	390.26	0.87	-95.10
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029463971	0	44	-2.0	-93.00	383.58	-3.81	-96.81
O=C(NC1(C2CN(C(=O)C3=CC=C([O-])C([N+](=O)[O-])=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029463981	0	42	-2.0	-93.58	366.50	3.03	-90.55
O=C(NC1(C2CN(C(=O)C3=CC(Cl)=CC=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029463997	1	40	-2.0	-98.15	358.31	3.20	-94.95
N#CC1=CC([O-])=CC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300029464034	1	41	-2.0	-87.43	360.77	1.55	-85.88
NC1=CC=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C([O-])=C1Cl	REAL300029464069	0	42	-2.0	-102.69	368.99	1.30	-101.39
O=C(NC1(C2CN(C(=O)C3=CC=CC([N+](=O)[O-])=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029464138	0	42	-2.0	-105.29	366.66	4.11	-101.18
CCC1=NC=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C(=O)[N-]1	REAL300029464175	1	44	-2.0	-94.70	379.19	0.27	-94.43
O=C(NC1(C2CN(C(=O)C3=COC(=O)[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464202	1	36	-2.0	-90.01	320.65	-2.38	-92.39
O=C(NC1(C2CN(C(=O)C3=CC=CC([O-])=C3[N+](=O)[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029464292	0	42	-2.0	-104.02	369.79	2.80	-101.22
O=C(C[N-]C(=O)C(F)(F)F)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464311	0	39	-2.0	-87.31	355.91	-2.34	-89.65
NC1=NC([O-])=C(CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)S1	REAL300029464312	0	41	-2.0	-112.94	369.02	-2.82	-115.76
O=C(NC1(C2CN(C(=O)C3=C(F)C=C([O-])C=C3F)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464323	0	40	-2.0	-88.21	360.95	1.60	-86.61
O=C(NC1(C2CN(C(=O)C3=CC=C([O-])C=C3F)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464347	1	40	-2.0	-92.15	347.33	1.34	-90.81
O=C(NC1(C2CN(C(=O)C3=CC([O-])=C4SC=CC4=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464355	1	43	-2.0	-97.53	377.21	2.53	-95.00
O=C(NC1(C2CN(C(=O)C3=CC([O-])=CC(=O)O3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464358	0	39	-2.0	-89.88	345.50	0.73	-89.15
N#CC1=CC=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C=C1[O-]	REAL300029464372	1	41	-2.0	-91.07	360.70	1.65	-89.42
O=C(NC1(C2CN(C(=O)C3=CC(Cl)=NC=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029464378	0	39	-2.0	-95.07	350.31	1.47	-93.60
N#CC1=CC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C(N)[N-]C1=O	REAL300029464385	0	42	-2.0	-88.67	375.92	-1.41	-90.08
O=C(CN1N=CC(=O)[N-]C1=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464404	0	41	-2.0	-100.41	361.80	-3.75	-104.16
CC1=CC=C([O-])C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=N1	REAL300029464506	1	42	-2.0	-104.36	358.76	2.37	-101.99
O=C(CCC1=NNC(=O)[N-]1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464510	0	42	-2.0	-92.96	363.70	-1.65	-94.61
O=C(NC1(C2CN(C(=O)C3=C[N-]N=CC3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464536	0	38	-2.0	-92.10	328.78	0.91	-91.19
O=C(NC1(C2CN(C(=O)C3=CC=CC(F)=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029464550	0	40	-2.0	-105.59	346.87	2.87	-102.72
O=C(NC1(C2CN(C(=O)C3=CC=CC([O-])=C3F)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464696	1	40	-2.0	-102.19	347.17	1.35	-100.84
O=C(NC1(C2CN(C(=O)C3=CC=C([N+](=O)[O-])C([O-])=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464788	0	42	-2.0	-97.55	366.52	3.00	-94.55
O=C(NC1(C2CN(C(=O)C3=CC(=O)N[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464861	0	37	-2.0	-89.86	325.49	-1.82	-91.68
C[PH](C)([O-])C(=O)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464869	0	42	-2.0	-87.58	362.17	-0.99	-88.57
CN1[N-]C(CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC1=O	REAL300029464874	0	43	-2.0	-99.88	370.95	0.48	-99.40
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029464899	0	45	-2.0	-104.43	393.16	2.94	-101.49
O=C(NC1(C2CN(C(=O)C3=CN=C(CC4CC4)[N-]C3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029464922	1	48	-2.0	-94.51	410.11	1.87	-92.64
NC1=CC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C(F)C([O-])=C1F	REAL300029464936	0	42	-2.0	-102.58	368.37	-0.70	-103.28
COCC1=NC=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C(=O)[N-]1	REAL300029464946	1	45	-2.0	-95.46	392.12	-1.48	-96.94
O=C(NC1(C2CN(C(=O)C3=CC(F)=CC(F)=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029464977	0	40	-2.0	-97.78	353.27	2.94	-94.84
O=C(NC1(C2CN(C(=O)C3=CC(=O)N([O-])C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029465011	0	40	-2.0	-104.85	345.80	1.75	-103.10
O=C(NC1(C2CN(C(=O)C3=CC(F)=C(F)C([O-])=C3F)C2)CC1)C1=CC(=O)[N-]O1	REAL300029465048	0	40	-2.0	-94.66	360.54	1.43	-93.23
O=C(NC1(C2CN(C(=O)C3=NC(=O)N[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029465050	0	36	-2.0	-90.00	320.23	-2.84	-92.84
O=C(NC1(C2CN(C(=O)C3=C([O-])C=CC=C3Cl)C2)CC1)C1=CC(=O)[N-]O1	REAL300029465056	1	40	-2.0	-103.01	363.99	2.00	-101.01
O=C(NC1(C2CN(C(=O)C3=CC=CN([O-])C3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029465065	0	40	-2.0	-107.34	354.41	2.06	-105.28
O=C(NC1(C2CN(C(=O)C3=C(F)C=CC([O-])=C3F)C2)CC1)C1=CC(=O)[N-]O1	REAL300029465108	1	40	-2.0	-98.80	360.87	1.58	-97.22
CC1=NC2=NC=C(C(=O)N3CC(C4(NC(=O)C5=CC(=O)[N-]O5)CC4)C3)C(=O)N2[N-]1	REAL300029465194	0	44	-2.0	-93.34	386.39	3.01	-90.33
NC1=CC(=O)[N-]C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=N1	REAL300029465242	0	40	-2.0	-98.81	349.18	-2.28	-101.09
O=C(NC1(C2CN(C(=O)C3=CC=C([O-])C(Cl)=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029465327	0	40	-2.0	-91.04	356.51	1.78	-89.26
O=C(NC1(C2CN(C(=O)C3=CC(F)=CC=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029465335	1	40	-2.0	-97.45	346.90	2.84	-94.61
CC1=CC=NC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1[O-]	REAL300029465436	1	42	-2.0	-103.50	357.49	2.47	-101.03
O=C(NC1(C2CN(C(=O)C3=CC=C(Cl)C(F)=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029465503	0	40	-2.0	-101.17	363.01	3.37	-97.80
O=C(NC1(C2CN(C(=O)C3=CN=CC([O-])=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029465636	1	39	-2.0	-90.94	335.56	-0.59	-91.53
O=C(NC1(C2CN(C(=O)C3=CC=CC(=S)N3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029465650	0	40	-2.0	-123.21	354.82	3.84	-119.37
O=C(NC1(C2CN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029465808	1	48	-2.0	-95.84	405.54	1.46	-94.38
NC1=CC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC([O-])=C1Cl	REAL300029465826	1	42	-2.0	-92.42	368.62	-0.33	-92.75
O=C(NC1(C2CN(C(=O)C3=CC=C([O-])C(Cl)=N3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029465831	0	39	-2.0	-86.18	355.20	0.55	-85.63
O=C(NC1(C2CN(C(=O)C3=CC=C([O-])C=C3Cl)C2)CC1)C1=CC(=O)[N-]O1	REAL300029465908	1	40	-2.0	-90.89	355.50	1.80	-89.09
N#CC1=CC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C([O-])C=C1N	REAL300029465911	0	43	-2.0	-97.41	374.36	1.09	-96.32
O=C(CC1=NC([O-])=CS1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465925	0	39	-2.0	-111.32	354.20	-1.94	-113.26
O=C(NC1(C2CN(C(=O)C3=C([O-])C=CC=C3F)C2)CC1)C1=CC(=O)[N-]O1	REAL300029465950	0	40	-2.0	-103.80	354.50	1.63	-102.17
O=C(CN1[N-]C(=O)C=CC1=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029465953	0	42	-2.0	-96.22	367.57	-1.66	-97.88
O=C(NC1(C2CN(C(=O)C3=CC=C(F)C=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029465956	0	40	-2.0	-99.72	347.07	2.87	-96.85
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466011	0	43	-2.0	-110.55	373.61	2.16	-108.39
O=C(CC1SC(=O)[N-]C1=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466111	0	40	-2.0	-87.50	362.03	-2.70	-90.20
O=C(NC1(C2CN(C(=O)C3=CC=C([O-])C(F)=C3F)C2)CC1)C1=CC(=O)[N-]O1	REAL300029466144	0	40	-2.0	-93.56	353.39	1.42	-92.14
O=C(NC1(C2CN(C(=O)C3=CC([N+](=O)[O-])=C[N-]C3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029466148	1	41	-2.0	-90.88	370.71	0.04	-90.84
O=C(NC1(C2CN(C(=O)C3=CC=CC(Cl)=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029466154	0	40	-2.0	-100.62	356.68	3.32	-97.30
CC1=CC(=O)C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=N[N-]1	REAL300029466192	0	41	-2.0	-94.60	353.86	1.97	-92.63
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466198	0	45	-2.0	-106.66	385.75	1.78	-104.88
O=C(NC1(C2CN(C(=O)C3=CC=CC(=O)N3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029466234	0	40	-2.0	-120.77	343.71	2.78	-117.99
N#CC1=CC=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C(=O)[N-]1	REAL300029466282	0	40	-2.0	-89.45	363.78	-0.25	-89.70
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466283	0	42	-2.0	-94.50	374.58	-5.69	-100.19
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029466283	1	42	-2.0	-89.33	374.52	-5.64	-94.97
O=C(NC1(C2CN(C(=O)C3=CC([O-])=CC=C3[N+](=O)[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029466314	0	42	-2.0	-88.09	368.37	2.88	-85.21
CN1N=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)[N-]C1=O	REAL300029466360	0	39	-2.0	-95.88	342.64	-1.65	-97.53
[N-]=[N+]=NC1=CC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC=C1[O-]	REAL300029466402	0	42	-2.0	-88.00	368.30	-0.95	-88.95
O=C(NC1(C2CN(C(=O)C3=C(F)C=CC(O)=C3O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029466446	0	41	-2.0	-104.77	365.24	-0.32	-105.09
O=C(NC1(C2CN(C(=O)C3=C(F)C=CC(O)=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029466446	1	41	-2.0	-104.77	365.24	-0.32	-105.09
N#CC1=CC=C([O-])C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300029466459	0	41	-2.0	-95.22	362.42	3.11	-92.11
O=C(NC1(C2CN(C(=O)C3=CN([O-])C(=O)NC3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029466606	0	40	-2.0	-94.49	349.95	0.50	-93.99
O=C(NC1(C2CN(C(=O)C3=CC(Cl)=C(F)C=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029466648	0	40	-2.0	-94.43	363.19	3.37	-91.06
O=C(NC1(C2CN(C(=O)C3=CC=C(F)C([O-])=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029466684	1	40	-2.0	-101.08	346.76	1.25	-99.83
O=C(NC1(C2CN(C(=O)C3=C([O-])C4=NC=CC=C4C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029466694	1	45	-2.0	-111.82	381.42	3.28	-108.54
O=C(NC1(C2CN(C(=O)C3=CC=C([N+](=O)[O-])C=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029466698	0	42	-2.0	-96.10	368.83	3.48	-92.62
O=C(NC1(C2CN(C(=O)C3=CC([N+](=O)[O-])=CC=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029466701	0	42	-2.0	-91.49	369.75	3.35	-88.14
O=C(NC1(C2CN(C(=O)C3=CC=C(Cl)C=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029466715	1	40	-2.0	-99.70	357.39	3.33	-96.37
O=C(NC1(C2CN(C(=O)C3=CC([O-])=CC([N+](=O)[O-])=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029466738	0	42	-2.0	-86.58	368.12	1.83	-84.75
O=C(NC1(C2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029466830	0	38	-2.0	-91.85	338.30	-4.55	-96.40
O=C(NC1(C2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029466830	1	38	-2.0	-86.71	338.80	-3.80	-90.51
O=C(NC1(C2CN(C(=O)C3=CC=C4N=NN([O-])C4=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029466873	0	42	-2.0	-96.06	362.75	0.27	-95.79
O=C(NC1(C2CN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029466919	1	45	-2.0	-108.29	382.10	4.08	-104.21
O=C(NC1(C2CN(C(=O)C3=C(Cl)C(=O)[N-]S3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029466920	0	36	-2.0	-90.85	341.28	-0.82	-91.67
NC1=NC=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C(=O)[N-]1	REAL300029466946	1	40	-2.0	-94.98	352.55	-1.39	-96.37
CC1=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)[N-]C(=O)C(C#N)=C1	REAL300029466983	0	43	-2.0	-86.26	374.48	1.14	-85.12
O=C(NC1(C2CN(C(=O)C3=CC=C(F)C([O-])=C3F)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467010	0	40	-2.0	-101.63	353.36	1.40	-100.23
O=C(NC1(C2CN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467074	0	40	-2.0	-89.85	362.09	1.82	-88.03
O=C(NC1(C2CN(C(=O)C3=C[N-]C(=O)C([N+](=O)[O-])=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467083	1	41	-2.0	-85.82	358.30	0.35	-85.47
COC1=NC(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC(=O)[N-]1	REAL300029467089	0	42	-2.0	-93.40	364.29	-3.59	-96.99
O=C(NC1(C2CN(C(=O)C3=CC=C4N[N-]N=C4C3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467092	0	42	-2.0	-101.67	369.07	0.03	-101.64
O=C(NC1(C2CN(C(=O)C3=NC=CC(Cl)=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029467105	0	39	-2.0	-99.61	353.36	2.30	-97.31
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467111	1	43	-2.0	-100.08	383.45	2.53	-97.55
O=C(NC1(C2CN(C(=O)C3=CC=C(Cl)C([O-])=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467157	0	40	-2.0	-97.23	356.56	1.74	-95.49
O=C(NC1(C2CN(C(=O)C3=CC=NC=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029467168	0	39	-2.0	-101.60	333.67	1.05	-100.55
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467178	0	36	-2.0	-93.04	320.35	-1.52	-94.56
CC1=C([O-])N=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)S1	REAL300029467222	1	39	-2.0	-96.04	352.12	-1.48	-97.52
O=C(NC1(C2CN(C(=O)C3=C([O-])C=CC4=CC=CC=C43)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467281	1	46	-2.0	-101.35	393.11	3.74	-97.61
O=C(NC1(C2CN(C(=O)C3=C([O-])C4=CC=CC=C4C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467301	1	46	-2.0	-106.09	386.48	5.02	-101.07
O=C(NC1(C2CN(C(=O)C3=CC4=CC=CC=C4C=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029467309	1	46	-2.0	-108.11	386.61	5.08	-103.03
O=C(NC1(C2CN(C(=O)C(=O)C3=CC=C([O-])C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467365	1	42	-2.0	-91.25	362.72	1.44	-89.81
O=C(NC1(C2CN(C(=O)C3=CN=C(C=N[O-])S3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467404	0	39	-2.0	-101.10	358.94	-0.57	-101.67
O=C(NC1(C2CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467442	1	39	-2.0	-86.55	355.17	1.60	-84.95
CSC1=NC=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C(=O)[N-]1	REAL300029467468	1	42	-2.0	-95.10	380.50	-0.22	-95.32
O=C(NC1(C2CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467477	0	40	-2.0	-88.56	346.41	-3.15	-91.71
CCN1[N-]C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC1=O	REAL300029467565	0	43	-2.0	-92.92	369.79	0.80	-92.12
CN1[N-]C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC1=O	REAL300029467589	0	40	-2.0	-92.51	348.23	-0.12	-92.63
O=C(NC1(C2CN(C(=O)C3=CC=CC4=C3C(=O)[N-]C4=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467604	1	43	-2.0	-104.10	373.32	-0.24	-104.34
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467609	0	40	-2.0	-93.14	364.67	-2.03	-95.17
CC1=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C(=S)[N-]C(=O)N1	REAL300029467611	1	42	-2.0	-97.16	378.18	-0.76	-97.92
CC1=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300029467622	1	48	-2.0	-96.93	408.47	1.60	-95.33
O=C(NC1(C2CN(C(=O)C3=C([O-])C=NC4=CC=CC=C43)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467687	1	45	-2.0	-95.56	387.97	1.86	-93.70
O=C(CC1=CC(=O)N[N-]1)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029467807	1	40	-2.0	-97.75	348.18	-1.24	-98.99
O=C(NC1(C2CN(C(=O)C3=CC=C([O-])C(F)=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467814	1	40	-2.0	-94.78	346.71	1.29	-93.49
O=C(NC1(C2CN(C(=O)C3=CC(F)=C([O-])C(F)=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029467882	0	40	-2.0	-93.01	352.29	1.34	-91.67
O=C(NC1(C2CN(C(=O)C3=CC=NC(Cl)=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029467888	0	39	-2.0	-98.95	349.62	1.49	-97.46
CC1=C(CC(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C(=O)N(C)[N-]1	REAL300029467910	0	46	-2.0	-102.68	391.01	1.15	-101.53
O=C(CCC(=O)N1CC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1)C1=CC=C([O-])C=C1	REAL300029467923	1	48	-2.0	-92.81	408.89	2.64	-90.17
CC1=CN=C(C(=O)N2CC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C([O-])=C1	REAL300029467964	1	42	-2.0	-104.46	358.35	2.38	-102.08
O=C(NC1(C2CN(C(=O)C3=C(O)C=CC(Cl)=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029467981	0	41	-2.0	-94.74	374.96	-0.69	-95.43
O=C(NC1(C2CN(C(=O)C3=CC([O-])=CS3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029468006	0	37	-2.0	-97.44	330.88	-0.06	-97.50
O=C(NC1(C2CN(C(=O)C3=CN([O-])C(=O)C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029468032	0	40	-2.0	-104.06	345.46	1.74	-102.32
O=C(NC1(C2CN(C(=O)C3=CC(F)=CC(Cl)=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029468038	0	40	-2.0	-94.28	363.07	3.40	-90.88
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CN([O-])C(=O)NC1=O	REAL300029468089	0	40	-2.0	-88.93	351.10	-0.29	-89.22
O=C(NC1(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029468120	1	41	-2.0	-82.43	362.29	0.35	-82.08
O=C(NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=COC(=O)[N-]1	REAL300029468497	1	48	-2.0	-86.85	370.83	-0.54	-87.39
O=C(NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC(=O)N[N-]1	REAL300029468576	0	49	-2.0	-93.86	376.96	0.11	-93.75
O=C(NC1CCCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=NC(=O)N[N-]1	REAL300029468642	0	48	-2.0	-96.54	371.56	-1.19	-97.73
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CC1=CC(=O)C(C(=O)N2CCC3(CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300029473946	0	47	-2.0	-104.42	362.24	3.90	-100.52
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CC1=C([O-])N=C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)S1	REAL300029476757	1	45	-2.0	-96.24	359.82	0.70	-95.54
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CN1[N-]C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=CC1=O	REAL300029476914	0	46	-2.0	-98.84	355.69	1.71	-97.13
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O=C(C1=CC(=O)[N-]O1)N1CCC2(CCCN2C(=O)C2=CC=C([O-])C(F)=C2)CC1	REAL300029476988	1	46	-2.0	-99.15	354.41	2.99	-96.16
CC1=CN=C(C(=O)N2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)C([O-])=C1	REAL300029477046	1	48	-2.0	-114.00	366.48	4.08	-109.92
O=C(C1=CC([O-])=CS1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029477058	0	43	-2.0	-109.56	340.17	1.79	-107.77
O=C(C1=CN([O-])C(=O)C=C1)N1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029477069	0	46	-2.0	-115.89	353.80	3.45	-112.44
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C1=NNC(=O)[N-]C1=O)CCO2	REAL300029477925	0	42	-2.0	-98.05	351.87	-4.20	-102.25
O=C(CN1C(=O)[N-]NC1=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029477978	0	44	-2.0	-99.44	370.21	-2.74	-102.18
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C1=CN([O-])C(=O)C=C1)CCO2	REAL300029478379	0	44	-2.0	-103.39	367.57	1.55	-101.84
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C1=CC(=O)NC([O-])=C1)CCO2	REAL300029478461	0	44	-2.0	-91.74	371.81	-3.31	-95.05
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C1=COC(=O)[N-]1)CCO2	REAL300029478472	1	40	-2.0	-88.68	336.27	-1.95	-90.63
CCN1[N-]C(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029478593	0	47	-2.0	-89.87	384.28	0.63	-89.24
O=C(CC1=CC(=O)N[N-]1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478600	1	44	-2.0	-102.49	364.12	-1.65	-104.14
CN1N=C(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300029478623	0	43	-2.0	-93.30	357.21	-1.82	-95.12
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C1=C[N-]N=CC1=O)CCO2	REAL300029478682	0	42	-2.0	-86.24	353.72	-0.51	-86.75
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C1=CC(=O)N[N-]1)CCO2	REAL300029478752	0	41	-2.0	-87.47	339.75	-2.01	-89.48
C[PH](C)([O-])C(=O)C(=O)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478757	0	46	-2.0	-85.15	380.62	-1.02	-86.17
O=C(CCC1=NNC(=O)[N-]1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478778	0	46	-2.0	-94.87	379.47	-2.08	-96.95
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C1=CC=CN([O-])C1=O)CCO2	REAL300029478781	0	44	-2.0	-102.35	363.18	1.42	-100.93
CC1SC(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NC1=O	REAL300029478802	0	43	-2.0	-97.40	366.74	-1.22	-98.62
CC1=C([O-])N=C(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300029478802	1	43	-2.0	-97.40	366.74	-1.22	-98.62
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C1=CC(=O)N([O-])C=C1)CCO2	REAL300029478819	0	44	-2.0	-108.02	368.77	1.58	-106.44
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C1=CC=CC(=O)N1[O-])CCO2	REAL300029478844	0	44	-2.0	-111.84	370.20	1.39	-110.45
O=C(CC1=NC([O-])=CS1)N1CCOC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029478959	0	43	-2.0	-115.88	369.97	-2.36	-118.24
CC1=CC(=O)C(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N[N-]1	REAL300029479117	0	45	-2.0	-95.16	369.06	1.66	-93.50
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C1=NC(=O)N[N-]1)CCO2	REAL300029479127	0	40	-2.0	-89.03	334.52	-2.61	-91.64
CN1[N-]C(C(=O)N2CCOC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029479313	0	44	-2.0	-89.53	362.86	-0.29	-89.82
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C1=NC(=O)[N-]C(=O)N1)CCO2	REAL300029479410	0	42	-2.0	-88.23	354.21	-3.68	-91.91
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C1=NC(=O)NC(=O)[N-]1)CCO2	REAL300029479410	1	42	-2.0	-88.23	354.21	-3.68	-91.91
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=NC=CC=C3O)C2)C1	REAL300029479762	0	43	-2.0	-111.75	352.96	1.55	-110.20
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300029479762	1	43	-2.0	-111.75	352.96	1.55	-110.20
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300029479861	0	42	-2.0	-99.26	352.57	-4.21	-103.47
O=C(CN1C(=O)[N-]NC1=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029479956	0	44	-2.0	-109.41	368.79	-2.84	-112.25
N#CC1=CC([O-])=CC(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=C1	REAL300029480813	1	45	-2.0	-88.71	376.03	0.99	-87.72
O=C(C1=COC(=O)[N-]1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029480881	1	40	-2.0	-90.03	336.47	-2.39	-92.42
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CC=C([O-])C=C3F)C2)C1	REAL300029480951	1	44	-2.0	-88.92	365.00	0.83	-88.09
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CC([O-])=CC(=O)O3)C2)C1	REAL300029480955	0	43	-2.0	-86.55	361.30	0.32	-86.23
N#CC1=CC=C(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C=C1[O-]	REAL300029480958	1	45	-2.0	-90.02	375.20	1.02	-89.00
CC1=CC=C([O-])C(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=N1	REAL300029481011	1	46	-2.0	-99.70	374.53	2.14	-97.56
O=C(CCC1=NC(=O)[N-]N1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481012	1	46	-2.0	-99.49	378.81	-2.70	-102.19
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300029481022	0	42	-2.0	-86.06	341.42	-0.96	-87.02
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CC=CC(F)=C3[O-])C2)C1	REAL300029481029	0	44	-2.0	-117.05	364.63	1.81	-115.24
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CC=CC([O-])=C3F)C2)C1	REAL300029481094	1	44	-2.0	-110.26	364.88	0.81	-109.45
O=C(C1=CC(=O)N[N-]1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481166	0	41	-2.0	-91.33	339.70	-2.18	-93.51
C[PH](C)([O-])C(=O)C(=O)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481171	0	46	-2.0	-96.64	379.74	-1.13	-97.77
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CC(=O)N([O-])C=C3)C2)C1	REAL300029481225	0	44	-2.0	-102.58	371.40	1.52	-101.06
O=C(C1=NC(=O)N[N-]1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481242	0	40	-2.0	-90.79	336.09	-2.99	-93.78
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CC=CN([O-])C3=O)C2)C1	REAL300029481247	0	44	-2.0	-105.38	359.80	0.96	-104.42
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CC(F)=CC=C3O)C2)C1	REAL300029481360	0	44	-2.0	-106.95	364.82	1.81	-105.14
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CC(F)=CC=C3[O-])C2)C1	REAL300029481360	1	44	-2.0	-106.95	364.82	1.81	-105.14
CC1=CC=NC(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=C1O	REAL300029481403	0	46	-2.0	-111.72	373.30	2.24	-109.48
CC1=CC=NC(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=C1[O-]	REAL300029481403	1	46	-2.0	-111.72	373.30	2.24	-109.48
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CN=CC(O)=C3)C2)C1	REAL300029481463	0	43	-2.0	-90.78	351.62	-1.14	-91.92
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CN=CC([O-])=C3)C2)C1	REAL300029481463	1	43	-2.0	-90.78	351.62	-1.14	-91.92
O=C(CC1=NC([O-])=CS1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029481559	0	43	-2.0	-102.87	371.05	-2.34	-105.21
CC1=CC(=O)C(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=N[N-]1	REAL300029481668	0	45	-2.0	-100.11	369.77	1.65	-98.46
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CC=CC(=O)N3[O-])C2)C1	REAL300029481683	0	44	-2.0	-120.51	370.59	1.31	-119.20
N#CC1=CC=C(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C(=O)[N-]1	REAL300029481702	0	44	-2.0	-89.16	380.30	-0.78	-89.94
CN1N=C(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)[N-]C1=O	REAL300029481730	0	43	-2.0	-97.58	357.16	-1.99	-99.57
N#CC1=CC=C([O-])C(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=C1	REAL300029481769	0	45	-2.0	-103.57	379.26	2.17	-101.40
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CC=C(F)C([O-])=C3)C2)C1	REAL300029481861	1	44	-2.0	-93.83	361.26	0.64	-93.19
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300029481913	0	42	-2.0	-87.97	354.69	-3.86	-91.83
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1	REAL300029481913	1	42	-2.0	-87.97	354.69	-3.86	-91.83
NC1=NC=C(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C(=O)N1	REAL300029481949	0	44	-2.0	-94.12	368.75	-1.94	-96.06
NC1=NC=C(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C(=O)[N-]1	REAL300029481949	1	44	-2.0	-94.12	368.75	-1.94	-96.06
O=C(C1=CC(=O)[N-]O1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482040	0	40	-2.0	-94.14	334.70	-2.02	-96.16
CC1SC(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=NC1=O	REAL300029482057	0	43	-2.0	-94.25	367.27	-1.44	-95.69
CC1=C([O-])N=C(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)S1	REAL300029482057	1	43	-2.0	-94.25	367.27	-1.44	-95.69
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300029482159	0	44	-2.0	-84.79	371.42	-3.36	-88.15
CCN1[N-]C(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=CC1=O	REAL300029482201	0	47	-2.0	-94.99	384.26	0.47	-94.52
CN1[N-]C(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=CC1=O	REAL300029482217	0	44	-2.0	-94.03	362.45	-0.47	-94.50
O=C(CC1=CC(=O)NN1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482303	0	44	-2.0	-110.34	363.78	-1.78	-112.12
O=C(CC1=CC(=O)N[N-]1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482303	1	44	-2.0	-110.34	363.78	-1.78	-112.12
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CC=C(O)C(F)=C3)C2)C1	REAL300029482307	0	44	-2.0	-95.73	361.22	0.68	-95.05
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CC=C([O-])C(F)=C3)C2)C1	REAL300029482307	1	44	-2.0	-95.73	361.22	0.68	-95.05
CC1=CN=C(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C(O)=C1	REAL300029482370	0	46	-2.0	-113.40	374.40	2.19	-111.21
CC1=CN=C(C(=O)N2CCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C([O-])=C1	REAL300029482370	1	46	-2.0	-113.40	374.40	2.19	-111.21
O=C(C1=CC([O-])=CS1)N1CCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300029482383	0	41	-2.0	-99.83	347.06	-0.24	-100.07
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CCN(C(=O)C3=CN([O-])C(=O)C=C3)C2)C1	REAL300029482395	0	44	-2.0	-104.71	360.04	1.21	-103.50
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300029483726	0	43	-2.0	-93.47	356.85	-3.32	-96.79
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CN1C(=O)[N-]NC1=O	REAL300029483822	0	45	-2.0	-96.73	370.67	-1.80	-98.53
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300029484475	0	45	-2.0	-105.22	371.94	2.53	-102.69
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300029484597	0	45	-2.0	-85.94	372.40	-2.36	-88.30
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=COC(=O)[N-]1	REAL300029484608	1	41	-2.0	-85.83	344.47	-2.52	-88.35
CCN1[N-]C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)=CC1=O	REAL300029484786	0	48	-2.0	-89.83	393.84	1.12	-88.71
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1=CC(=O)N[N-]1	REAL300029484794	1	45	-2.0	-98.14	365.95	-0.63	-98.77
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=CC=CC(=S)N1[O-]	REAL300029484813	0	45	-2.0	-124.75	380.22	4.45	-120.30
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1SC(=O)[N-]C1=O	REAL300029484823	0	45	-2.0	-87.04	383.09	-2.38	-89.42
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=NN(C)C(=O)[N-]1	REAL300029484839	0	44	-2.0	-95.17	362.53	-1.07	-96.24
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=C[N-]N=CC1=O	REAL300029484931	0	43	-2.0	-81.91	349.51	0.89	-81.02
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=CC(=O)N[N-]1	REAL300029485041	0	42	-2.0	-86.35	349.30	-1.53	-87.88
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C(=O)[PH](C)(C)[O-]	REAL300029485046	0	47	-2.0	-89.25	379.24	0.13	-89.12
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CCC1=NC(=O)NN1	REAL300029485075	0	47	-2.0	-100.52	380.92	-1.72	-102.24
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CCC1=NC(=O)[N-]N1	REAL300029485075	1	47	-2.0	-100.52	380.92	-1.72	-102.24
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=CC=CN([O-])C1=O	REAL300029485080	0	45	-2.0	-101.81	365.17	2.84	-98.97
CC1SC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)=NC1=O	REAL300029485111	0	44	-2.0	-91.97	375.84	-1.40	-93.37
CC1=C([O-])N=C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)S1	REAL300029485111	1	44	-2.0	-91.97	375.84	-1.40	-93.37
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=CC(=O)C=C(Cl)N1	REAL300029485125	0	44	-2.0	-85.69	375.44	2.02	-83.67
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029485125	1	44	-2.0	-85.69	375.44	2.02	-83.67
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300029485144	0	45	-2.0	-106.55	368.30	2.80	-103.75
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300029485183	0	45	-2.0	-120.88	369.11	3.42	-117.46
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1=C([O-])N=C(N)S1	REAL300029485314	0	46	-2.0	-110.17	386.61	-2.23	-112.40
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CC1=NC([O-])=CS1	REAL300029485362	0	44	-2.0	-110.21	371.80	-1.35	-111.56
CCC1=NC=C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)N1	REAL300029485380	0	49	-2.0	-84.48	394.10	0.87	-83.61
CCC1=NC=C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)[N-]1	REAL300029485380	1	49	-2.0	-84.48	394.10	0.87	-83.61
CC1=CC(=O)C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C)=N[N-]1	REAL300029485610	0	46	-2.0	-92.62	374.01	2.54	-90.08
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=NNC(=O)[N-]1	REAL300029485626	0	41	-2.0	-90.01	343.79	-2.99	-93.00
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=CN=C(C=N[O-])S1	REAL300029485748	0	44	-2.0	-99.38	384.67	0.06	-99.32
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=CC(=O)N(C)[N-]1	REAL300029485927	0	45	-2.0	-89.01	372.11	0.19	-88.82
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300029485934	0	45	-2.0	-94.04	381.97	-1.56	-95.60
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029486101	0	43	-2.0	-92.77	358.41	-4.33	-97.10
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029486101	1	43	-2.0	-83.09	363.07	-3.82	-86.91
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)CN1[N-]C(=O)C=CC1=O	REAL300029486260	0	47	-2.0	-95.42	391.09	-0.95	-96.37
CC1CN(C(=O)C2=NC=CC=C2[O-])CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486513	1	44	-2.0	-101.33	361.24	2.53	-98.80
CC1CN(C(=O)C2=NNC(=O)[N-]C2=O)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486644	0	43	-2.0	-92.95	361.87	-3.51	-96.46
CC1CN(C(=O)CN2C(=O)[N-]NC2=O)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029486824	0	45	-2.0	-93.87	377.83	-1.82	-95.69
CC1CN(C(=O)C2=CC(Cl)=CC=C2[O-])CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488313	1	45	-2.0	-97.53	385.83	2.68	-94.85
CC1CN(C(=O)C2=CC([O-])=CC(C#N)=C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488339	1	46	-2.0	-86.89	384.68	2.41	-84.48
CCC1=NC=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C(=O)[N-]1	REAL300029488431	1	49	-2.0	-87.54	393.75	0.89	-86.65
CC1CN(C(=O)C2=COC(=O)[N-]2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488450	1	41	-2.0	-88.13	344.23	-1.06	-89.19
CC1CN(C(=O)C[N-]C(=O)C(F)(F)F)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488521	0	44	-2.0	-87.86	378.27	-1.25	-89.11
CC1CN(C(=O)CC2=C([O-])N=C(N)S2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488522	0	46	-2.0	-104.50	393.46	-2.33	-106.83
CC1CN(C(=O)C2=C(F)C=C([O-])C=C2F)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488532	0	45	-2.0	-87.39	385.89	2.07	-85.32
CC1CN(C(=O)C2=CC=C([O-])C=C2F)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488548	1	45	-2.0	-92.42	373.15	1.86	-90.56
CC1CN(C(=O)C2=CC([O-])=CC(=O)O2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488554	0	44	-2.0	-89.57	371.42	1.28	-88.29
CC1CN(C(=O)C2=CC=C(C#N)C([O-])=C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488562	1	46	-2.0	-89.35	388.00	2.20	-87.15
CC1CN(C(=O)C2=CC(Cl)=NC=C2[O-])CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488565	0	44	-2.0	-94.66	374.48	1.84	-92.82
CC1CN(C(=O)CN2N=CC(=O)[N-]C2=O)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488583	0	46	-2.0	-98.10	388.17	-2.94	-101.04
CC1=CC=C([O-])C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)=N1	REAL300029488648	1	47	-2.0	-100.05	378.82	3.36	-96.69
CC1CN(C(=O)C2=C[N-]N=CC2=O)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488669	0	43	-2.0	-86.41	363.14	0.41	-86.00
CC1CN(C(=O)C2=CC=CC(F)=C2[O-])CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488680	0	45	-2.0	-105.77	375.32	2.24	-103.53
CC1CN(C(=O)C2=CC=CC([O-])=C2F)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488779	1	45	-2.0	-102.87	375.60	1.90	-100.97
CC1CN(C(=O)C2=CC(=O)N[N-]2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488890	0	42	-2.0	-88.07	345.03	-0.85	-88.92
CC1CN(C(=O)C(=O)[PH](C)(C)[O-])CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488896	0	47	-2.0	-85.74	379.52	0.52	-85.22
CC1CN(C(=O)CC2=CC(=O)N(C)[N-]2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488901	0	48	-2.0	-97.74	395.58	0.99	-96.75
CC1CN(C(=O)C2=CC(F)=CC(F)=C2[O-])CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488969	0	45	-2.0	-97.57	381.73	2.31	-95.26
CC1CN(C(=O)C2=CC(=O)N([O-])C=C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029488994	0	45	-2.0	-105.04	374.96	2.35	-102.69
CC1CN(C(=O)C2=NC(=O)N[N-]2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489020	0	41	-2.0	-87.96	343.86	-1.75	-89.71
CC1CN(C(=O)C2=C([O-])C=CC=C2Cl)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489023	1	45	-2.0	-94.35	383.42	2.68	-91.67
CC1CN(C(=O)C2=CC=CN([O-])C2=O)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489028	0	45	-2.0	-101.26	371.59	2.64	-98.62
CC1CN(C(=O)C2=C(F)C=CC([O-])=C2F)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489057	1	45	-2.0	-95.59	385.73	2.05	-93.54
CC1CN(C(=O)C2=NC(N)=CC(=O)[N-]2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489147	0	45	-2.0	-95.86	373.72	-1.54	-97.40
CC1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489201	0	45	-2.0	-89.21	383.80	2.35	-86.86
CC1CN(C(=O)C2=CC(F)=CC=C2[O-])CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489206	1	45	-2.0	-97.02	375.51	2.24	-94.78
CC1=CC=NC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)=C1[O-]	REAL300029489271	1	47	-2.0	-102.04	380.07	2.91	-99.13
CC1CN(C(=O)C2=CN=CC([O-])=C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489392	1	44	-2.0	-94.15	363.59	-0.08	-94.23
CC1CN(C(=O)C2=CC=CC(=S)N2[O-])CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489402	0	45	-2.0	-111.02	385.70	3.19	-107.83
CC1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489519	0	44	-2.0	-85.29	375.57	1.61	-83.68
CC1CN(C(=O)C2=CC=C([O-])C=C2Cl)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489563	1	45	-2.0	-91.13	381.69	2.28	-88.85
CC1CN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489565	0	48	-2.0	-95.94	402.90	0.41	-95.53
CC1CN(C(=O)CC2=NC([O-])=CS2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489575	0	44	-2.0	-106.53	378.67	-1.45	-107.98
CC1CN(C(=O)C2=C([O-])C=CC=C2F)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489590	0	45	-2.0	-97.93	375.38	2.34	-95.59
CC1CN(C(=O)CN2[N-]C(=O)C=CC2=O)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489592	0	47	-2.0	-94.33	393.91	-0.84	-95.17
CC1CN(C(=O)C2=CC=C(F)C=C2[O-])CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489593	0	45	-2.0	-100.21	375.30	2.66	-97.55
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(C)C1	REAL300029489630	0	48	-2.0	-104.23	394.77	2.91	-101.32
CC1CN(C(=O)CC2SC(=O)[N-]C2=O)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489701	0	45	-2.0	-87.19	382.39	-1.92	-89.11
CC1CN(C(=O)C2=CC=C([O-])C(F)=C2F)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489726	0	45	-2.0	-93.09	379.02	1.91	-91.18
CC1CN(C(=O)C2=CC=CC(Cl)=C2[O-])CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489733	0	45	-2.0	-100.32	385.13	2.72	-97.60
CC1=CC(=O)C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)=N[N-]1	REAL300029489762	0	46	-2.0	-91.85	379.03	2.37	-89.48
CC1CN(C(=O)C2=CC=CC(=O)N2[O-])CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489788	0	45	-2.0	-108.42	374.59	2.57	-105.85
CC1CN(C(=O)C2=CC=C(C#N)[N-]C2=O)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489818	0	45	-2.0	-84.80	378.76	0.38	-84.42
CC1CN(C(=O)C2=NN(C)C(=O)[N-]2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489870	0	44	-2.0	-93.67	366.41	-0.97	-94.64
CC1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489924	1	46	-2.0	-98.89	386.05	0.43	-98.46
CC1CN(C(=O)C2=CC=C(C#N)C=C2[O-])CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489925	0	46	-2.0	-97.95	386.94	2.89	-95.06
CC1CN(C(=O)C2=CC(C#N)=CC=C2[O-])CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029489933	0	46	-2.0	-94.14	389.95	2.59	-91.55
CC1CN(C(=O)C2=CN([O-])C(=O)NC2=O)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490028	0	45	-2.0	-93.27	380.01	0.18	-93.09
CC1CN(C(=O)C2=CC=C(F)C([O-])=C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490084	1	45	-2.0	-93.17	374.05	1.83	-91.34
CC1CN(C(=O)C2=CC=C(Cl)C=C2[O-])CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490103	1	45	-2.0	-100.11	383.21	3.53	-96.58
CC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490175	0	43	-2.0	-84.58	363.05	-2.88	-87.46
CC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490175	1	43	-2.0	-84.58	363.05	-2.88	-87.46
CC1CN(C(=O)C2=CN=C(N)NC2=O)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490235	0	45	-2.0	-87.98	366.97	-0.75	-88.73
CC1CN(C(=O)C2=CN=C(N)[N-]C2=O)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490235	1	45	-2.0	-87.98	366.97	-0.75	-88.73
CC1=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)[N-]C(=O)C(C#N)=C1	REAL300029490257	0	48	-2.0	-93.74	408.05	0.77	-92.97
CC1CN(C(=O)C2=NC=CC(Cl)=C2[O-])CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490328	0	44	-2.0	-98.34	375.95	2.74	-95.60
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490381	0	41	-2.0	-90.48	344.04	-1.04	-91.52
CC1SC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)=NC1=O	REAL300029490406	0	44	-2.0	-94.91	376.10	-0.35	-95.26
CC1=C([O-])N=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)S1	REAL300029490406	1	44	-2.0	-94.91	376.10	-0.35	-95.26
CC1CN(C(=O)C(=O)C2=CC=C(O)C=C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490502	0	47	-2.0	-90.12	391.38	2.14	-87.98
CC1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490502	1	47	-2.0	-90.12	391.38	2.14	-87.98
CC1CN(C(=O)C2=CN=C(C=N[O-])S2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490525	0	44	-2.0	-101.51	385.33	-0.09	-101.60
CC1CN(C(=O)C2=CC(=O)C=C(Cl)N2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490549	0	44	-2.0	-84.98	381.23	2.27	-82.71
CC1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490549	1	44	-2.0	-84.98	381.23	2.27	-82.71
CCN1[N-]C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)=CC1=O	REAL300029490634	0	48	-2.0	-90.76	389.25	1.77	-88.99
CC1CN(C(=O)C2=CC(=O)N(C)[N-]2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490655	0	45	-2.0	-90.37	367.78	0.86	-89.51
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490665	0	45	-2.0	-91.58	385.13	-1.20	-92.78
CC1CN(C(=O)CC2=CC(=O)NN2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490802	0	45	-2.0	-95.40	372.83	-0.74	-96.14
CC1CN(C(=O)CC2=CC(=O)N[N-]2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490802	1	45	-2.0	-95.40	372.83	-0.74	-96.14
CC1CN(C(=O)C2=CC=C(O)C(F)=C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490807	0	45	-2.0	-92.75	374.03	1.87	-90.88
CC1CN(C(=O)C2=CC=C([O-])C(F)=C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490807	1	45	-2.0	-92.75	374.03	1.87	-90.88
CC1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490855	0	45	-2.0	-90.85	381.42	1.97	-88.88
CC1CN(C(=O)C2=CC=NC(Cl)=C2[O-])CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490860	0	44	-2.0	-98.69	373.82	1.86	-96.83
CC1=C(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C(=O)N(C)[N-]1	REAL300029490875	0	51	-2.0	-96.20	415.70	1.67	-94.53
CC1=CN=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(C)C2)C([O-])=C1	REAL300029490912	1	47	-2.0	-103.71	381.19	2.85	-100.86
CC1CN(C(=O)C2=CC([O-])=CS2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490935	0	42	-2.0	-99.12	354.48	0.97	-98.15
CC1CN(C(=O)C2=CN([O-])C(=O)C=C2)CCC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029490951	0	45	-2.0	-105.17	369.43	2.58	-102.59
CC1CN(C(=O)C2=CC(=O)[N-]O2)CCC1CNC(=O)C1=CN([O-])C(=O)NC1=O	REAL300029490981	0	45	-2.0	-86.86	374.44	0.05	-86.81
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1=NNC(=O)[N-]C1=O	REAL300029491839	0	42	-2.0	-95.51	373.31	-5.65	-101.16
O=C(CN1C(=O)[N-]NC1=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029491892	0	44	-2.0	-97.90	387.48	-3.97	-101.87
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1=CN([O-])C(=O)C=C1	REAL300029492293	0	44	-2.0	-109.25	383.99	0.46	-108.79
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1=CC(=O)NC([O-])=C1	REAL300029492375	0	44	-2.0	-90.81	384.46	-4.44	-95.25
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1=COC(=O)[N-]1	REAL300029492386	1	40	-2.0	-91.27	356.53	-4.59	-95.86
O=C([N-]CC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C(F)(F)C(F)(F)F	REAL300029492450	0	39	-2.0	-89.93	362.64	-1.25	-91.18
CCN1[N-]C(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)=CC1=O	REAL300029492507	0	47	-2.0	-96.13	405.85	-0.96	-97.09
O=C(CC1=CC(=O)N[N-]1)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492514	1	44	-2.0	-102.98	382.16	-2.88	-105.86
CN1N=C(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)[N-]C1=O	REAL300029492537	0	43	-2.0	-96.86	379.06	-3.36	-100.22
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1=C[N-]N=CC1=O	REAL300029492596	0	42	-2.0	-85.53	365.58	-1.44	-86.97
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1=CC(=O)N[N-]1	REAL300029492666	0	41	-2.0	-92.39	361.36	-3.61	-96.00
C[PH](C)([O-])C(=O)C(=O)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492671	0	46	-2.0	-89.00	394.65	-2.15	-91.15
O=C(CCC1=NNC(=O)[N-]1)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492692	0	46	-2.0	-94.25	397.82	-3.36	-97.61
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1=CC=CN([O-])C1=O	REAL300029492695	0	44	-2.0	-102.34	381.59	0.63	-101.71
CC1SC(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)=NC1=O	REAL300029492716	0	43	-2.0	-95.48	388.29	-3.45	-98.93
CC1=C([O-])N=C(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)S1	REAL300029492716	1	43	-2.0	-95.48	388.29	-3.45	-98.93
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1=CC(=O)N([O-])C=C1	REAL300029492733	0	44	-2.0	-106.99	384.82	0.50	-106.49
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1=CC=CC(=O)N1[O-]	REAL300029492758	0	44	-2.0	-124.20	381.94	1.49	-122.71
O=C(CC1=NC([O-])=CS1)NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1	REAL300029492873	0	43	-2.0	-111.10	388.01	-3.59	-114.69
CC1=CC(=O)C(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)=N[N-]1	REAL300029493031	0	45	-2.0	-95.59	390.47	0.21	-95.38
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1=NC(=O)N[N-]1	REAL300029493041	0	40	-2.0	-89.75	356.40	-4.86	-94.61
CN1[N-]C(C(=O)NCC2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CO2)=CC1=O	REAL300029493227	0	44	-2.0	-95.27	384.12	-1.89	-97.16
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1=NC(=O)[N-]C(=O)N1	REAL300029493324	0	42	-2.0	-88.53	375.13	-5.89	-94.42
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1=NC(=O)NC(=O)[N-]1	REAL300029493324	1	42	-2.0	-88.53	375.13	-5.89	-94.42
O=C(NCC1CC2(CN(C(=O)C3=NC=CC=C3O)C2)CO1)C1=CC(=O)[N-]O1	REAL300029493676	0	43	-2.0	-102.07	372.71	0.13	-101.94
O=C(NCC1CC2(CN(C(=O)C3=NC=CC=C3[O-])C2)CO1)C1=CC(=O)[N-]O1	REAL300029493676	1	43	-2.0	-102.07	372.71	0.13	-101.94
O=C(NCC1CC2(CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)CO1)C1=CC(=O)[N-]O1	REAL300029493775	0	42	-2.0	-96.88	372.49	-5.41	-102.29
O=C(CN1C(=O)[N-]NC1=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029493870	0	44	-2.0	-96.40	389.14	-3.79	-100.19
N#CC1=CC([O-])=CC(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029494727	1	45	-2.0	-86.80	397.31	-0.01	-86.81
O=C(NCC1CC2(CN(C(=O)C3=COC(=O)[N-]3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029494795	1	40	-2.0	-92.37	356.24	-4.04	-96.41
O=C(NCC1CC2(CN(C(=O)C3=CC=C([O-])C=C3F)C2)CO1)C1=CC(=O)[N-]O1	REAL300029494865	1	44	-2.0	-96.84	382.99	-0.18	-97.02
O=C(NCC1CC2(CN(C(=O)C3=CC([O-])=CC(=O)O3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029494869	0	43	-2.0	-92.35	381.06	-0.91	-93.26
N#CC1=CC=C(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C=C1[O-]	REAL300029494872	1	45	-2.0	-100.68	396.69	0.05	-100.63
CC1=CC=C([O-])C(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300029494925	1	46	-2.0	-102.77	394.33	0.72	-102.05
O=C(CCC1=NC(=O)[N-]N1)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029494926	1	46	-2.0	-99.57	399.61	-3.76	-103.33
O=C(NCC1CC2(CN(C(=O)C3=C[N-]N=CC3=O)C2)CO1)C1=CC(=O)[N-]O1	REAL300029494936	0	42	-2.0	-92.32	364.34	-0.70	-93.02
O=C(NCC1CC2(CN(C(=O)C3=CC=CC(F)=C3[O-])C2)CO1)C1=CC(=O)[N-]O1	REAL300029494943	0	44	-2.0	-112.64	382.90	1.27	-111.37
O=C(NCC1CC2(CN(C(=O)C3=CC=CC([O-])=C3F)C2)CO1)C1=CC(=O)[N-]O1	REAL300029495008	1	44	-2.0	-108.43	383.20	-0.24	-108.67
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)N[N-]3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029495080	0	41	-2.0	-90.84	361.07	-3.48	-94.32
C[PH](C)([O-])C(=O)C(=O)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495085	0	46	-2.0	-89.89	399.42	-2.23	-92.12
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)N([O-])C=C3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029495139	0	44	-2.0	-108.11	382.56	0.16	-107.95
O=C(NCC1CC2(CN(C(=O)C3=NC(=O)N[N-]3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029495156	0	40	-2.0	-92.95	355.94	-4.43	-97.38
O=C(NCC1CC2(CN(C(=O)C3=CC=CN([O-])C3=O)C2)CO1)C1=CC(=O)[N-]O1	REAL300029495161	0	44	-2.0	-117.55	389.85	0.42	-117.13
O=C(NCC1CC2(CN(C(=O)C3=CC(F)=CC=C3O)C2)CO1)C1=CC(=O)[N-]O1	REAL300029495274	0	44	-2.0	-102.24	383.11	1.27	-100.97
O=C(NCC1CC2(CN(C(=O)C3=CC(F)=CC=C3[O-])C2)CO1)C1=CC(=O)[N-]O1	REAL300029495274	1	44	-2.0	-102.24	383.11	1.27	-100.97
CC1=CC=NC(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1O	REAL300029495317	0	46	-2.0	-103.64	393.21	0.94	-102.70
CC1=CC=NC(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1[O-]	REAL300029495317	1	46	-2.0	-103.64	393.21	0.94	-102.70
O=C(NCC1CC2(CN(C(=O)C3=CN=CC(O)=C3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029495377	0	43	-2.0	-88.93	371.56	-2.19	-91.12
O=C(NCC1CC2(CN(C(=O)C3=CN=CC([O-])=C3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029495377	1	43	-2.0	-88.93	371.56	-2.19	-91.12
O=C(CC1=NC([O-])=CS1)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029495473	0	43	-2.0	-107.22	389.99	-3.46	-110.68
CC1=CC(=O)C(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300029495582	0	45	-2.0	-94.37	389.47	0.35	-94.02
O=C(NCC1CC2(CN(C(=O)C3=CC=CC(=O)N3[O-])C2)CO1)C1=CC(=O)[N-]O1	REAL300029495597	0	44	-2.0	-121.59	379.41	1.26	-120.33
N#CC1=CC=C(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029495616	0	44	-2.0	-101.55	390.43	-0.75	-102.30
CN1N=C(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300029495644	0	43	-2.0	-97.27	378.45	-3.25	-100.52
N#CC1=CC=C([O-])C(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029495683	0	45	-2.0	-99.06	397.53	1.63	-97.43
O=C(NCC1CC2(CN(C(=O)C3=CC=C(F)C(O)=C3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029495775	0	44	-2.0	-105.03	382.77	-0.34	-105.37
O=C(NCC1CC2(CN(C(=O)C3=CC=C(F)C([O-])=C3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029495775	1	44	-2.0	-105.03	382.77	-0.34	-105.37
O=C(NCC1CC2(CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029495827	0	42	-2.0	-95.74	374.02	-6.16	-101.90
O=C(NCC1CC2(CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029495827	1	42	-2.0	-86.13	374.90	-5.42	-91.55
NC1=NC=C(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029495863	1	44	-2.0	-101.89	378.39	-1.90	-103.79
O=C(NCC1CC2(CN(C(=O)C3=CC=NC=C3[O-])C2)CO1)C1=CC(=O)[N-]O1	REAL300029495949	0	43	-2.0	-106.17	369.69	-0.55	-106.72
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029495954	0	40	-2.0	-95.46	356.10	-3.12	-98.58
CC1=C([O-])N=C(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029495971	1	43	-2.0	-99.44	387.72	-3.07	-102.51
O=C(NCC1CC2(CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029496073	0	44	-2.0	-88.91	382.68	-4.74	-93.65
CCN1[N-]C(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029496115	0	47	-2.0	-96.56	405.75	-0.72	-97.28
CN1[N-]C(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029496131	0	44	-2.0	-94.21	384.02	-1.71	-95.92
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)COC(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300029496217	1	44	-2.0	-98.16	384.14	-2.75	-100.91
O=C(NCC1CC2(CN(C(=O)C3=CC=C([O-])C(F)=C3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029496221	1	44	-2.0	-96.41	382.72	-0.30	-96.71
CC1=CN=C(C(=O)N2CC3(C2)COC(CNC(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300029496284	1	46	-2.0	-103.54	394.17	0.77	-102.77
O=C(NCC1CC2(CN(C(=O)C3=CC([O-])=CS3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029496297	0	41	-2.0	-102.62	368.45	-1.25	-103.87
O=C(NCC1CC2(CN(C(=O)C3=CN([O-])C(=O)C=C3)C2)CO1)C1=CC(=O)[N-]O1	REAL300029496309	0	44	-2.0	-108.95	381.99	0.19	-108.76
O=C(C1=COC(=O)[N-]1)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496733	1	48	-2.0	-101.17	365.60	1.27	-99.90
O=C(C1=CC(=O)N[N-]1)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029496824	0	49	-2.0	-109.99	370.49	1.14	-108.85
O=C(C1=CC(=O)[N-]O1)N1CCCCC1C1CCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300029496906	0	48	-2.0	-104.05	365.24	0.57	-103.48
O=C(C1=COC(=O)[N-]1)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497340	1	48	-2.0	-97.47	365.72	1.29	-96.18
O=C(C1=CC(=O)N[N-]1)N1CCCCC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497402	0	49	-2.0	-106.09	370.62	1.16	-104.93
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CCCCN2C(=O)C2=NNC(=O)[N-]2)C1	REAL300029497413	0	48	-2.0	-111.65	365.07	-0.29	-111.94
O=C(C1=CC(=O)[N-]O1)N1CCCC(C2CCCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029497558	0	48	-2.0	-109.67	365.55	1.17	-108.50
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1=NNC(=O)[N-]C1=O	REAL300029498426	0	44	-2.0	-87.65	360.35	-2.42	-90.07
O=C(CN1C(=O)[N-]NC1=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029498479	0	46	-2.0	-88.76	378.55	-0.58	-89.34
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1=CN([O-])C(=O)C=C1	REAL300029498834	0	46	-2.0	-99.00	372.01	3.69	-95.31
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1=CC(=O)NC([O-])=C1	REAL300029498907	0	46	-2.0	-84.74	372.48	-1.23	-85.97
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1=COC(=O)[N-]1	REAL300029498918	1	42	-2.0	-88.06	343.96	-1.35	-89.41
CCN1[N-]C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)=CC1=O	REAL300029499028	0	49	-2.0	-87.61	392.37	2.56	-85.05
O=C(CC1=CC(=O)N[N-]1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499034	1	46	-2.0	-91.60	370.04	0.23	-91.37
CN1N=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)[N-]C1=O	REAL300029499057	0	45	-2.0	-90.21	366.11	-0.15	-90.36
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1=C[N-]N=CC1=O	REAL300029499112	0	44	-2.0	-80.81	353.01	1.83	-78.98
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1=CC(=O)N[N-]1	REAL300029499175	0	43	-2.0	-84.29	349.49	-0.31	-84.60
C[PH](C)([O-])C(=O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499179	0	48	-2.0	-83.59	382.43	0.94	-82.65
O=C(CCC1=NC(=O)NN1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499200	0	48	-2.0	-96.96	385.39	-0.63	-97.59
O=C(CCC1=NC(=O)[N-]N1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499200	1	48	-2.0	-96.96	385.39	-0.63	-97.59
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1=CC=CN([O-])C1=O	REAL300029499203	0	46	-2.0	-103.82	368.95	3.89	-99.93
CC1SC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)=NC1=O	REAL300029499223	0	45	-2.0	-91.36	374.59	0.01	-91.35
CC1=C([O-])N=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)S1	REAL300029499223	1	45	-2.0	-91.36	374.59	0.01	-91.35
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1=CC(=O)N([O-])C=C1	REAL300029499236	0	46	-2.0	-99.93	372.38	3.66	-96.27
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1=CC=CC(=O)N1[O-]	REAL300029499257	0	46	-2.0	-109.88	368.87	4.72	-105.16
O=C(CC1=NC([O-])=CS1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029499356	0	45	-2.0	-102.45	379.39	-0.27	-102.72
CC1=CC(=O)C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)=N[N-]1	REAL300029499502	0	47	-2.0	-87.82	376.58	3.68	-84.14
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1=NNC(=O)[N-]1	REAL300029499511	0	42	-2.0	-87.62	343.28	-1.81	-89.43
CN1[N-]C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CCCC3)=CC1=O	REAL300029499682	0	46	-2.0	-87.08	371.53	1.36	-85.72
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1=NC(=O)[N-]C(=O)N1	REAL300029499770	0	44	-2.0	-90.88	361.91	-3.39	-94.27
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1=NC(=O)NC(=O)[N-]1	REAL300029499770	1	44	-2.0	-83.20	362.56	-2.63	-85.83
O=C(NC1CCN(C(=O)C2=NC=CC=C2[O-])C12CCCC2)C1=CC(=O)[N-]O1	REAL300029500110	1	45	-2.0	-100.74	361.12	3.66	-97.08
O=C(NC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029500207	0	44	-2.0	-91.68	360.44	-2.17	-93.85
O=C(CN1C(=O)[N-]NC1=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029500303	0	46	-2.0	-90.33	377.98	-0.68	-91.01
N#CC1=CC([O-])=CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)=C1	REAL300029501090	1	47	-2.0	-85.26	386.71	3.21	-82.05
O=C(NC1CCN(C(=O)C2=COC(=O)[N-]2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029501148	1	42	-2.0	-83.91	342.70	0.13	-83.78
O=C(NC1CCN(C(=O)C2=CC=C([O-])C=C2F)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029501218	1	46	-2.0	-89.50	370.32	3.19	-86.31
O=C(NC1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029501223	0	45	-2.0	-84.93	367.78	2.66	-82.27
N#CC1=CC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C=C1[O-]	REAL300029501225	1	47	-2.0	-93.34	387.73	3.44	-89.90
CC1=CC=C([O-])C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)=N1	REAL300029501276	1	48	-2.0	-100.78	381.06	4.37	-96.41
O=C(NC1CCN(C(=O)C2=C[N-]N=CC2=O)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029501288	0	44	-2.0	-85.42	360.45	1.76	-83.66
O=C(NC1CCN(C(=O)C2=CC=CC(F)=C2[O-])C12CCCC2)C1=CC(=O)[N-]O1	REAL300029501293	0	46	-2.0	-100.28	368.55	4.33	-95.95
O=C(NC1CCN(C(=O)C2=CC=CC([O-])=C2F)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029501354	1	46	-2.0	-98.26	368.87	2.91	-95.35
O=C(NC1CCN(C(=O)C2=CC(=O)N[N-]2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029501417	0	43	-2.0	-85.46	347.57	0.24	-85.22
C[PH](C)([O-])C(=O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501422	0	48	-2.0	-85.36	380.83	1.37	-83.99
O=C(NC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029501474	0	46	-2.0	-101.79	373.50	3.55	-98.24
O=C(NC1CCN(C(=O)C2=NC(=O)N[N-]2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029501491	0	42	-2.0	-84.24	344.01	-0.71	-84.95
O=C(NC1CCN(C(=O)C2=CC=CN([O-])C2=O)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029501495	0	46	-2.0	-104.65	383.00	3.62	-101.03
O=C(NC1CCN(C(=O)C2=CC(F)=CC=C2O)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029501597	0	46	-2.0	-97.06	370.91	4.07	-92.99
O=C(NC1CCN(C(=O)C2=CC(F)=CC=C2[O-])C12CCCC2)C1=CC(=O)[N-]O1	REAL300029501597	1	46	-2.0	-97.06	370.91	4.07	-92.99
CC1=CC=NC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)=C1O	REAL300029501641	0	48	-2.0	-99.62	379.79	4.48	-95.14
CC1=CC=NC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)=C1[O-]	REAL300029501641	1	48	-2.0	-99.62	379.79	4.48	-95.14
O=C(NC1CCN(C(=O)C2=CN=CC(O)=C2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029501704	0	45	-2.0	-85.18	357.08	1.38	-83.80
O=C(NC1CCN(C(=O)C2=CN=CC([O-])=C2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029501704	1	45	-2.0	-85.18	357.08	1.38	-83.80
O=C(CC1=NC([O-])=CS1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029501795	0	45	-2.0	-107.84	378.95	-0.25	-108.09
CC1=CC(=O)C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)=N[N-]1	REAL300029501897	0	47	-2.0	-89.37	377.20	3.62	-85.75
O=C(NC1CCN(C(=O)C2=CC=CC(=O)N2[O-])C12CCCC2)C1=CC(=O)[N-]O1	REAL300029501910	0	46	-2.0	-104.89	379.25	3.46	-101.43
N#CC1=CC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C(=O)[N-]1	REAL300029501926	0	46	-2.0	-85.23	388.38	1.41	-83.82
CN1N=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)[N-]C1=O	REAL300029501951	0	45	-2.0	-92.55	366.75	0.21	-92.34
N#CC1=CC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C([O-])=C1	REAL300029501982	0	47	-2.0	-97.14	384.48	4.71	-92.43
N#CC1=CC=C([O-])C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)=C1	REAL300029501987	0	47	-2.0	-94.06	385.35	4.42	-89.64
O=C(NC1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029502072	1	46	-2.0	-97.56	375.53	3.15	-94.41
O=C(NC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029502119	0	44	-2.0	-82.34	362.73	-1.71	-84.05
O=C(NC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029502119	1	44	-2.0	-82.34	362.73	-1.71	-84.05
NC1=NC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C(=O)N1	REAL300029502150	0	46	-2.0	-94.30	374.91	0.43	-93.87
NC1=NC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C(=O)[N-]1	REAL300029502150	1	46	-2.0	-94.30	374.91	0.43	-93.87
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029502234	0	42	-2.0	-88.68	342.57	0.39	-88.29
CC1SC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)=NC1=O	REAL300029502248	0	45	-2.0	-89.41	376.18	0.70	-88.71
CC1=C([O-])N=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)S1	REAL300029502248	1	45	-2.0	-89.41	376.18	0.70	-88.71
O=C(NC1CCN(C(=O)C(=O)C2=CC=C(O)C=C2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029502319	0	48	-2.0	-87.65	387.72	3.22	-84.43
O=C(NC1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029502319	1	48	-2.0	-87.65	387.72	3.22	-84.43
O=C(NC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029502351	0	46	-2.0	-84.64	383.78	-1.27	-85.91
CCN1[N-]C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)=CC1=O	REAL300029502393	0	49	-2.0	-88.73	393.07	2.62	-86.11
CN1[N-]C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)=CC1=O	REAL300029502405	0	46	-2.0	-87.89	371.26	1.69	-86.20
O=C(CC1=CC(=O)NN1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502475	0	46	-2.0	-92.63	372.99	0.36	-92.27
O=C(CC1=CC(=O)N[N-]1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCCC2	REAL300029502475	1	46	-2.0	-92.63	372.99	0.36	-92.27
O=C(NC1CCN(C(=O)C2=CC=C(O)C(F)=C2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029502479	0	46	-2.0	-91.72	375.49	3.19	-88.53
O=C(NC1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029502479	1	46	-2.0	-91.72	375.49	3.19	-88.53
CC1=CN=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C(O)=C1	REAL300029502537	0	48	-2.0	-98.35	382.46	4.11	-94.24
CC1=CN=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCCC3)C([O-])=C1	REAL300029502537	1	48	-2.0	-98.35	382.46	4.11	-94.24
O=C(NC1CCN(C(=O)C2=CC([O-])=CS2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029502549	0	43	-2.0	-94.60	356.84	1.79	-92.81
O=C(NC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C12CCCC2)C1=CC(=O)[N-]O1	REAL300029502560	0	46	-2.0	-99.33	369.95	3.37	-95.96
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NNC(=O)[N-]C1=O	REAL300029503379	0	44	-2.0	-101.15	367.66	-2.37	-103.52
O=C(CN1C(=O)[N-]NC1=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503432	0	46	-2.0	-93.11	382.96	-1.12	-94.23
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)C=C1	REAL300029503787	0	46	-2.0	-123.17	374.45	3.59	-119.58
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)NC([O-])=C1	REAL300029503860	0	46	-2.0	-89.87	378.46	-1.54	-91.41
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=COC(=O)[N-]1	REAL300029503871	1	42	-2.0	-91.25	350.52	-1.70	-92.95
CCN1[N-]C(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029503981	0	49	-2.0	-101.12	400.65	2.37	-98.75
O=C(CC1=CC(=O)N[N-]1)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029503987	1	46	-2.0	-94.17	377.95	-0.08	-94.25
CN1N=C(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300029504010	0	45	-2.0	-113.72	371.18	-0.08	-113.80
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]N=CC1=O	REAL300029504065	0	44	-2.0	-95.88	358.09	1.87	-94.01
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N[N-]1	REAL300029504128	0	43	-2.0	-90.92	355.35	-0.71	-91.63
C[PH](C)([O-])C(=O)C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504132	0	48	-2.0	-90.22	393.95	0.61	-89.61
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CN([O-])C1=O	REAL300029504156	0	46	-2.0	-111.62	375.64	3.86	-107.76
CC1SC(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300029504176	0	45	-2.0	-108.01	380.50	-0.19	-108.20
CC1=C([O-])N=C(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029504176	1	45	-2.0	-108.01	380.50	-0.19	-108.20
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N([O-])C=C1	REAL300029504189	0	46	-2.0	-122.45	374.83	3.57	-118.88
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=O)N1[O-]	REAL300029504210	0	46	-2.0	-141.44	373.97	4.71	-136.73
O=C(CC1=NC([O-])=CS1)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029504309	0	45	-2.0	-107.88	381.88	-0.78	-108.66
CC1=CC(=O)C(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300029504455	0	47	-2.0	-101.70	384.86	3.49	-98.21
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NNC(=O)[N-]1	REAL300029504464	0	42	-2.0	-110.15	348.21	-1.77	-111.92
CN1[N-]C(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029504635	0	46	-2.0	-109.18	376.61	1.41	-107.77
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)[N-]C(=O)N1	REAL300029504723	0	44	-2.0	-105.44	366.98	-3.35	-108.79
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)NC(=O)[N-]1	REAL300029504723	1	44	-2.0	-87.71	369.13	-2.99	-90.70
O=C(NC1CCCC12CCN(C(=O)C1=NC=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029505063	1	45	-2.0	-124.74	365.54	3.75	-120.99
O=C(NC1CCCC12CCN(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300029505166	0	44	-2.0	-111.61	365.12	-2.04	-113.65
O=C(CN1C(=O)[N-]NC1=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029505274	0	46	-2.0	-94.26	385.90	-0.96	-95.22
N#CC1=CC([O-])=CC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029506210	1	47	-2.0	-86.11	391.97	2.82	-83.29
O=C(NC1CCCC12CCN(C(=O)C1=COC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029506280	1	42	-2.0	-105.68	348.78	-0.10	-105.78
O=C(NC1CCCC12CCN(C(=O)C1=CC=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300029506353	1	46	-2.0	-89.87	381.07	2.65	-87.22
O=C(NC1CCCC12CCN(C(=O)C1=CC([O-])=CC(=O)O1)C2)C1=CC(=O)[N-]O1	REAL300029506358	0	45	-2.0	-87.80	376.95	2.01	-85.79
N#CC1=CC=C(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300029506361	1	47	-2.0	-88.73	391.27	2.88	-85.85
CC1=CC=C([O-])C(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029506420	1	48	-2.0	-126.21	387.13	4.33	-121.88
O=C(CCC1=NC(=O)[N-]N1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506421	1	48	-2.0	-97.45	396.12	-0.88	-98.33
O=C(NC1CCCC12CCN(C(=O)C1=C[N-]N=CC1=O)C2)C1=CC(=O)[N-]O1	REAL300029506432	0	44	-2.0	-102.05	367.97	1.59	-100.46
O=C(NC1CCCC12CCN(C(=O)C1=CC=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029506439	0	46	-2.0	-119.89	376.52	4.22	-115.67
O=C(NC1CCCC12CCN(C(=O)C1=CC=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300029506511	1	46	-2.0	-113.54	376.75	3.00	-110.54
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029506586	0	43	-2.0	-107.44	353.64	0.02	-107.42
C[PH](C)([O-])C(=O)C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029506592	0	48	-2.0	-89.34	388.42	0.70	-88.64
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300029506651	0	46	-2.0	-102.24	387.57	3.39	-98.85
O=C(NC1CCCC12CCN(C(=O)C1=NC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029506668	0	42	-2.0	-91.11	349.88	-1.11	-92.22
O=C(NC1CCCC12CCN(C(=O)C1=CC=CN([O-])C1=O)C2)C1=CC(=O)[N-]O1	REAL300029506673	0	46	-2.0	-107.58	386.88	3.34	-104.24
O=C(NC1CCCC12CCN(C(=O)C1=CC(F)=CC=C1O)C2)C1=CC(=O)[N-]O1	REAL300029506793	0	46	-2.0	-110.36	374.87	4.59	-105.77
O=C(NC1CCCC12CCN(C(=O)C1=CC(F)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029506793	1	46	-2.0	-110.36	374.87	4.59	-105.77
CC1=CC=NC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)=C1O	REAL300029506840	0	48	-2.0	-125.05	385.86	4.44	-120.61
CC1=CC=NC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029506840	1	48	-2.0	-125.05	385.86	4.44	-120.61
O=C(NC1CCCC12CCN(C(=O)C1=CN=CC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029506908	1	45	-2.0	-106.38	364.85	1.11	-105.27
O=C(CC1=NC([O-])=CS1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507010	0	45	-2.0	-105.17	386.74	-0.62	-105.79
O=C(NC1CCCC12CCN(C(=O)C1=C([O-])C=CC=C1F)C2)C1=CC(=O)[N-]O1	REAL300029507023	0	46	-2.0	-96.22	386.91	2.89	-93.33
O=C(NC1CCCC12CCN(C(=O)C1=CC=C(F)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029507024	0	46	-2.0	-97.54	380.84	3.54	-94.00
CC1=CC(=O)C(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029507133	0	47	-2.0	-114.83	382.31	3.83	-111.00
O=C(NC1CCCC12CCN(C(=O)C1=CC=CC(=O)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300029507151	0	46	-2.0	-116.92	383.50	3.54	-113.38
N#CC1=CC=C(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029507171	0	46	-2.0	-100.58	394.04	1.41	-99.17
CN1N=C(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029507201	0	45	-2.0	-114.98	371.16	0.20	-114.78
N#CC1=CC=C(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029507236	0	47	-2.0	-95.29	395.26	3.89	-91.40
N#CC1=CC=C([O-])C(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029507242	0	47	-2.0	-110.09	391.15	4.56	-105.53
O=C(NC1CCCC12CCN(C(=O)C1=CC=C(F)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029507340	1	46	-2.0	-100.26	377.33	2.49	-97.77
O=C(NC1CCCC12CCN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2)C1=CC(=O)[N-]O1	REAL300029507398	0	44	-2.0	-84.72	370.31	-2.17	-86.89
O=C(NC1CCCC12CCN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029507398	1	44	-2.0	-84.72	370.31	-2.17	-86.89
NC1=NC=C(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029507438	0	46	-2.0	-94.64	385.03	-0.09	-94.73
NC1=NC=C(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029507438	1	46	-2.0	-94.64	385.03	-0.09	-94.73
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)[N-]O1	REAL300029507535	0	42	-2.0	-108.96	348.63	0.18	-108.78
CC1SC(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029507552	0	45	-2.0	-111.17	380.59	0.69	-110.48
CC1=C([O-])N=C(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029507552	1	45	-2.0	-111.17	380.59	0.69	-110.48
O=C(NC1CCCC12CCN(C(=O)C(=O)C1=CC=C(O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300029507631	0	48	-2.0	-89.12	394.46	2.77	-86.35
O=C(NC1CCCC12CCN(C(=O)C(=O)C1=CC=C([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300029507631	1	48	-2.0	-89.12	394.46	2.77	-86.35
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)NC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029507669	0	46	-2.0	-86.52	387.69	-1.51	-88.03
CCN1[N-]C(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029507714	0	49	-2.0	-91.67	401.52	2.22	-89.45
CN1[N-]C(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029507730	0	46	-2.0	-90.77	379.71	1.28	-89.49
O=C(CC1=CC(=O)NN1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507820	0	46	-2.0	-96.40	380.89	0.10	-96.30
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029507820	1	46	-2.0	-96.40	380.89	0.10	-96.30
O=C(NC1CCCC12CCN(C(=O)C1=CC=C(O)C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300029507824	0	46	-2.0	-93.59	377.29	2.54	-91.05
O=C(NC1CCCC12CCN(C(=O)C1=CC=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300029507824	1	46	-2.0	-93.59	377.29	2.54	-91.05
CC1=CN=C(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029507893	1	48	-2.0	-126.79	386.98	4.38	-122.41
O=C(NC1CCCC12CCN(C(=O)C1=CC([O-])=CS1)C2)C1=CC(=O)[N-]O1	REAL300029507906	0	43	-2.0	-117.49	361.53	1.94	-115.55
O=C(NC1CCCC12CCN(C(=O)C1=CN([O-])C(=O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300029507919	0	46	-2.0	-102.68	387.39	3.39	-99.29
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1=NNC(=O)[N-]C1=O	REAL300029509245	0	43	-2.0	-114.55	343.90	-3.19	-117.74
O=C(CN1C(=O)[N-]NC1=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029509341	0	45	-2.0	-118.60	357.99	-1.52	-120.12
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1=CN([O-])C(=O)C=C1	REAL300029509994	0	45	-2.0	-130.56	355.22	3.03	-127.53
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1=CC(=O)NC([O-])=C1	REAL300029510116	0	45	-2.0	-105.01	355.43	-1.96	-106.97
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1=COC(=O)[N-]1	REAL300029510127	1	41	-2.0	-105.37	327.72	-2.04	-107.41
O=C([N-]C1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C(F)(F)C(F)(F)F	REAL300029510222	1	40	-2.0	-104.10	330.26	1.14	-102.96
CCN1[N-]C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)=CC1=O	REAL300029510305	0	48	-2.0	-117.52	377.11	1.59	-115.93
O=C(CC1=CC(=O)N[N-]1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510313	1	45	-2.0	-129.28	353.25	-0.43	-129.71
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1=CC=CC(=S)N1[O-]	REAL300029510332	0	45	-2.0	-164.07	363.76	5.04	-159.03
O=C(CC1SC(=O)[N-]C1=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510342	0	45	-2.0	-104.23	366.59	-1.96	-106.19
CN1N=C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)[N-]C1=O	REAL300029510358	0	44	-2.0	-120.99	349.82	-0.85	-121.84
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1=C[N-]N=CC1=O	REAL300029510450	0	43	-2.0	-102.57	336.84	1.11	-101.46
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1=CC(=O)N[N-]1	REAL300029510560	0	42	-2.0	-112.51	332.62	-1.03	-113.54
C[PH](C)([O-])C(=O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510565	0	47	-2.0	-110.41	370.89	0.21	-110.20
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1=CC=CN([O-])C1=O	REAL300029510599	0	45	-2.0	-112.80	352.87	3.17	-109.63
CC1SC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)=NC1=O	REAL300029510630	0	44	-2.0	-108.38	358.88	-0.99	-109.37
CC1=C([O-])N=C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)S1	REAL300029510630	1	44	-2.0	-108.38	358.88	-0.99	-109.37
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1=CC(=O)C=C(Cl)N1	REAL300029510644	0	44	-2.0	-104.58	362.49	2.17	-102.41
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1=CC(=O)C=C(Cl)[N-]1	REAL300029510644	1	44	-2.0	-104.58	362.49	2.17	-102.41
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1=CC(=O)N([O-])C=C1	REAL300029510663	0	45	-2.0	-129.14	355.59	3.01	-126.13
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1=CC=CC(=O)N1[O-]	REAL300029510702	0	45	-2.0	-160.56	352.65	4.00	-156.56
NC1=NC([O-])=C(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)S1	REAL300029510833	0	46	-2.0	-125.21	373.65	-2.08	-127.29
O=C(CC1=NC([O-])=CS1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510881	0	44	-2.0	-139.06	359.10	-1.15	-140.21
CCC1=NC=C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)C(=O)[N-]1	REAL300029510899	1	49	-2.0	-107.52	377.69	1.42	-106.10
O=C(CN1N=CC(=O)[N-]C1=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029510908	0	46	-2.0	-117.89	368.34	-2.64	-120.53
CC1=CC(=O)C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)=N[N-]1	REAL300029511129	0	46	-2.0	-123.02	361.29	2.73	-120.29
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1=NC(=O)N[N-]1	REAL300029511145	0	41	-2.0	-108.76	327.16	-2.36	-111.12
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1=CN=C(C=N[O-])S1	REAL300029511267	0	44	-2.0	-117.46	367.95	0.53	-116.93
COC1=NC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)=CC(=O)[N-]1	REAL300029511282	0	47	-2.0	-117.56	373.29	-3.04	-120.60
CN1[N-]C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CCC2)=CC1=O	REAL300029511446	0	45	-2.0	-111.18	355.16	0.60	-110.58
O=C(CSC1=NNC(=O)[N-]1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511453	0	45	-2.0	-108.95	369.30	-1.30	-110.25
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1=NC(=O)[N-]C(=O)N1	REAL300029511620	0	43	-2.0	-105.28	345.69	-4.11	-109.39
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1=NC(=O)NC(=O)[N-]1	REAL300029511620	1	43	-2.0	-107.33	346.34	-3.35	-110.68
O=C(CN1[N-]C(=O)C=CC1=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029511779	0	47	-2.0	-122.26	374.11	-0.53	-122.79
O=C(NC1CCCN(C(=O)C2=NC=CC=C2[O-])CCC1)C1=CC(=O)[N-]O1	REAL300029512032	1	44	-2.0	-119.70	344.31	3.52	-116.18
O=C(NC1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)CCC1)C1=CC(=O)[N-]O1	REAL300029512163	0	43	-2.0	-114.01	343.71	-2.48	-116.49
O=C(CN1C(=O)[N-]NC1=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029512343	0	45	-2.0	-118.81	364.37	-1.22	-120.03
O=C(NC1CCCN(C(=O)C2=CC(Cl)=CC=C2[O-])CCC1)C1=CC(=O)[N-]O1	REAL300029513832	1	45	-2.0	-119.15	369.42	3.29	-115.86
N#CC1=CC([O-])=CC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)=C1	REAL300029513858	1	46	-2.0	-100.50	369.14	2.57	-97.93
CCC1=NC=C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C(=O)[N-]1	REAL300029513950	1	49	-2.0	-100.93	382.48	1.08	-99.85
O=C(NC1CCCN(C(=O)C2=COC(=O)[N-]2)CCC1)C1=CC(=O)[N-]O1	REAL300029513969	1	41	-2.0	-103.90	327.22	0.33	-103.57
O=C(C[N-]C(=O)C(F)(F)F)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514040	0	44	-2.0	-105.81	368.82	-0.93	-106.74
NC1=NC([O-])=C(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)S1	REAL300029514041	0	46	-2.0	-116.29	379.66	-1.70	-117.99
O=C(NC1CCCN(C(=O)C2=C(F)C=C([O-])C=C2F)CCC1)C1=CC(=O)[N-]O1	REAL300029514051	0	45	-2.0	-101.45	369.09	2.63	-98.82
O=C(NC1CCCN(C(=O)C2=CC=C([O-])C=C2F)CCC1)C1=CC(=O)[N-]O1	REAL300029514067	1	45	-2.0	-115.39	355.19	2.26	-113.13
O=C(NC1CCCN(C(=O)C2=CC([O-])=CC(=O)O2)CCC1)C1=CC(=O)[N-]O1	REAL300029514073	0	44	-2.0	-107.10	353.44	1.78	-105.32
N#CC1=CC=C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C=C1[O-]	REAL300029514081	1	46	-2.0	-102.47	368.47	2.63	-99.84
O=C(NC1CCCN(C(=O)C2=CC(Cl)=NC=C2[O-])CCC1)C1=CC(=O)[N-]O1	REAL300029514084	0	44	-2.0	-111.96	358.18	2.28	-109.68
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514102	0	46	-2.0	-109.90	374.35	-2.34	-112.24
CC1=CC=C([O-])C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)=N1	REAL300029514167	1	47	-2.0	-121.99	366.64	3.98	-118.01
O=C(NC1CCCN(C(=O)C2=C[N-]N=CC2=O)CCC1)C1=CC(=O)[N-]O1	REAL300029514188	0	43	-2.0	-95.84	336.26	0.87	-94.97
O=C(NC1CCCN(C(=O)C2=CC=CC(F)=C2[O-])CCC1)C1=CC(=O)[N-]O1	REAL300029514199	0	45	-2.0	-130.33	359.02	2.83	-127.50
O=C(NC1CCCN(C(=O)C2=CC=CC([O-])=C2F)CCC1)C1=CC(=O)[N-]O1	REAL300029514298	1	45	-2.0	-131.67	359.79	2.39	-129.28
O=C(NC1CCCN(C(=O)C2=CC(=O)N[N-]2)CCC1)C1=CC(=O)[N-]O1	REAL300029514409	0	42	-2.0	-107.14	332.10	-0.43	-107.57
C[PH](C)([O-])C(=O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029514415	0	47	-2.0	-102.49	366.69	0.59	-101.90
O=C(NC1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)CCC1)C1=CC(=O)[N-]O1	REAL300029514513	0	45	-2.0	-109.66	359.65	2.90	-106.76
O=C(NC1CCCN(C(=O)C2=NNC(=O)[N-]2)CCC1)C1=CC(=O)[N-]O1	REAL300029514539	0	41	-2.0	-112.29	326.95	-2.04	-114.33
O=C(NC1CCCN(C(=O)C2=C(O)C=CC=C2Cl)CCC1)C1=CC(=O)[N-]O1	REAL300029514542	0	45	-2.0	-114.68	371.64	3.18	-111.50
O=C(NC1CCCN(C(=O)C2=C([O-])C=CC=C2Cl)CCC1)C1=CC(=O)[N-]O1	REAL300029514542	1	45	-2.0	-114.68	371.64	3.18	-111.50
O=C(NC1CCCN(C(=O)C2=CC=CN([O-])C2=O)CCC1)C1=CC(=O)[N-]O1	REAL300029514547	0	45	-2.0	-109.54	352.85	2.57	-106.97
O=C(NC1CCCN(C(=O)C2=C(F)C=CC(O)=C2F)CCC1)C1=CC(=O)[N-]O1	REAL300029514576	0	45	-2.0	-117.35	367.46	2.54	-114.81
O=C(NC1CCCN(C(=O)C2=C(F)C=CC([O-])=C2F)CCC1)C1=CC(=O)[N-]O1	REAL300029514576	1	45	-2.0	-117.35	367.46	2.54	-114.81
O=C(NC1CCCN(C(=O)C2=CC(F)=CC=C2O)CCC1)C1=CC(=O)[N-]O1	REAL300029514725	0	45	-2.0	-118.25	359.13	2.84	-115.41
O=C(NC1CCCN(C(=O)C2=CC(F)=CC=C2[O-])CCC1)C1=CC(=O)[N-]O1	REAL300029514725	1	45	-2.0	-118.25	359.13	2.84	-115.41
CC1=CC=NC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)=C1O	REAL300029514790	0	47	-2.0	-119.11	364.55	4.21	-114.90
CC1=CC=NC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)=C1[O-]	REAL300029514790	1	47	-2.0	-119.11	364.55	4.21	-114.90
O=C(NC1CCCN(C(=O)C2=CN=CC([O-])=C2)CCC1)C1=CC(=O)[N-]O1	REAL300029514911	1	44	-2.0	-111.91	343.09	0.29	-111.62
O=C(NC1CCCN(C(=O)C2=CC=CC(=S)N2[O-])CCC1)C1=CC(=O)[N-]O1	REAL300029514921	0	45	-2.0	-120.02	364.10	3.73	-116.29
O=C(NC1CCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)CCC1)C1=CC(=O)[N-]O1	REAL300029515038	0	44	-2.0	-100.82	362.55	2.35	-98.47
O=C(NC1CCCN(C(=O)C2=CC=C([O-])C=C2Cl)CCC1)C1=CC(=O)[N-]O1	REAL300029515082	1	45	-2.0	-111.46	363.69	2.71	-108.75
N#CC1=CC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)=C([O-])C=C1N	REAL300029515084	0	48	-2.0	-111.85	380.46	1.95	-109.90
O=C(CC1=NC([O-])=CS1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515094	0	44	-2.0	-120.03	365.21	-0.84	-120.87
O=C(NC1CCCN(C(=O)C2=C([O-])C=CC=C2F)CCC1)C1=CC(=O)[N-]O1	REAL300029515109	0	45	-2.0	-107.84	362.62	2.63	-105.21
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515111	0	47	-2.0	-120.04	380.42	-0.22	-120.26
O=C(NC1CCCN(C(=O)C2=CC=C(F)C=C2[O-])CCC1)C1=CC(=O)[N-]O1	REAL300029515112	0	45	-2.0	-126.15	354.95	3.36	-122.79
CC1=CC=C(F)C([O-])=C1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515149	0	48	-2.0	-121.83	367.84	4.73	-117.10
O=C(CC1SC(=O)[N-]C1=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029515220	0	45	-2.0	-99.91	372.22	-1.60	-101.51
O=C(NC1CCCN(C(=O)C2=CC=C([O-])C(F)=C2F)CCC1)C1=CC(=O)[N-]O1	REAL300029515245	0	45	-2.0	-108.94	359.42	2.37	-106.57
O=C(NC1CCCN(C(=O)C2=CC=CC(Cl)=C2[O-])CCC1)C1=CC(=O)[N-]O1	REAL300029515252	0	45	-2.0	-122.67	368.83	3.31	-119.36
CC1=CC(=O)C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)=N[N-]1	REAL300029515281	0	46	-2.0	-110.84	360.95	3.38	-107.46
O=C(NC1CCCN(C(=O)C2=CC=CC(=O)N2[O-])CCC1)C1=CC(=O)[N-]O1	REAL300029515307	0	45	-2.0	-116.59	353.00	2.87	-113.72
N#CC1=CC=C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C(=O)[N-]1	REAL300029515337	0	45	-2.0	-92.90	362.30	0.58	-92.32
CN1N=C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)[N-]C1=O	REAL300029515389	0	44	-2.0	-115.75	349.86	-0.38	-116.13
O=C(NC1CCCN(C(=O)C2=C(F)C=CC(O)=C2O)CCC1)C1=CC(=O)[N-]O1	REAL300029515443	0	46	-2.0	-107.19	371.88	0.63	-106.56
O=C(NC1CCCN(C(=O)C2=C(F)C=CC(O)=C2[O-])CCC1)C1=CC(=O)[N-]O1	REAL300029515443	1	46	-2.0	-107.19	371.88	0.63	-106.56
N#CC1=CC=C([O-])C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)=C1	REAL300029515452	0	46	-2.0	-113.67	373.62	3.19	-110.48
O=C(NC1CCCN(C(=O)C2=CN([O-])C(=O)NC2=O)CCC1)C1=CC(=O)[N-]O1	REAL300029515547	0	45	-2.0	-100.45	357.44	0.31	-100.14
O=C(NC1CCCN(C(=O)C2=CC=C(F)C(O)=C2)CCC1)C1=CC(=O)[N-]O1	REAL300029515603	0	45	-2.0	-116.77	354.49	2.25	-114.52
O=C(NC1CCCN(C(=O)C2=CC=C(F)C([O-])=C2)CCC1)C1=CC(=O)[N-]O1	REAL300029515603	1	45	-2.0	-116.77	354.49	2.25	-114.52
O=C(NC1CCCN(C(=O)C2=CC=C(Cl)C=C2O)CCC1)C1=CC(=O)[N-]O1	REAL300029515622	0	45	-2.0	-125.02	365.26	3.82	-121.20
O=C(NC1CCCN(C(=O)C2=CC=C(Cl)C=C2[O-])CCC1)C1=CC(=O)[N-]O1	REAL300029515622	1	45	-2.0	-125.02	365.26	3.82	-121.20
O=C(NC1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCC1)C1=CC(=O)[N-]O1	REAL300029515694	0	43	-2.0	-108.20	345.32	-2.29	-110.49
O=C(NC1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCC1)C1=CC(=O)[N-]O1	REAL300029515694	1	43	-2.0	-102.88	345.87	-1.53	-104.41
NC1=NC=C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C(=O)[N-]1	REAL300029515754	1	45	-2.0	-101.54	355.30	-0.62	-102.16
CC1=C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)[N-]C(=O)C(C#N)=C1	REAL300029515776	0	48	-2.0	-112.00	394.09	1.33	-110.67
O=C(NC1CCCN(C(=O)C2=CC=C(F)C([O-])=C2F)CCC1)C1=CC(=O)[N-]O1	REAL300029515790	0	45	-2.0	-129.75	367.85	2.56	-127.19
COC1=NC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)=CC(=O)[N-]1	REAL300029515837	0	47	-2.0	-113.84	366.33	-1.72	-115.56
O=C(NC1CCCN(C(=O)C2=NC=CC(Cl)=C2[O-])CCC1)C1=CC(=O)[N-]O1	REAL300029515847	0	44	-2.0	-115.53	360.42	4.02	-111.51
O=C(NC1CCCN(C(=O)C2=CC=C(Cl)C([O-])=C2)CCC1)C1=CC(=O)[N-]O1	REAL300029515885	0	45	-2.0	-112.78	364.27	2.73	-110.05
O=C(NC1CCCN(C(=O)C2=CC=NC=C2[O-])CCC1)C1=CC(=O)[N-]O1	REAL300029515894	0	44	-2.0	-125.49	338.90	1.82	-123.67
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1=CC(=O)[N-]O1	REAL300029515900	0	41	-2.0	-113.00	327.29	-0.57	-113.57
CC1=C([O-])N=C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)S1	REAL300029515925	1	44	-2.0	-109.70	359.21	0.83	-108.87
O=C(NC1CCCN(C(=O)C(=O)C2=CC=C([O-])C=C2)CCC1)C1=CC(=O)[N-]O1	REAL300029516021	1	47	-2.0	-107.64	370.66	2.65	-104.99
O=C(NC1CCCN(C(=O)C2=CN=C(C=N[O-])S2)CCC1)C1=CC(=O)[N-]O1	REAL300029516044	0	44	-2.0	-118.08	365.21	0.19	-117.89
O=C(NC1CCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CCC1)C1=CC(=O)[N-]O1	REAL300029516068	1	44	-2.0	-103.49	362.96	3.26	-100.23
O=C(NC1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)CCC1)C1=CC(=O)[N-]O1	REAL300029516092	0	45	-2.0	-108.22	351.87	-2.34	-110.56
CCN1[N-]C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)=CC1=O	REAL300029516153	0	48	-2.0	-112.20	376.70	2.18	-110.02
CN1[N-]C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)=CC1=O	REAL300029516174	0	45	-2.0	-111.13	354.99	1.25	-109.88
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516184	0	45	-2.0	-106.54	375.68	-0.88	-107.42
O=C(CC1=CC(=O)N[N-]1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)CCC1	REAL300029516321	1	45	-2.0	-115.25	359.36	-0.13	-115.38
O=C(NC1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)CCC1)C1=CC(=O)[N-]O1	REAL300029516326	1	45	-2.0	-109.50	354.48	2.30	-107.20
O=C(NC1CCCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CCC1)C1=CC(=O)[N-]O1	REAL300029516374	0	45	-2.0	-108.02	360.67	2.37	-105.65
O=C(NC1CCCN(C(=O)C2=CC=NC(Cl)=C2[O-])CCC1)C1=CC(=O)[N-]O1	REAL300029516379	0	44	-2.0	-115.68	357.49	2.31	-113.37
CC1=C(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C(=O)N(C)[N-]1	REAL300029516394	0	51	-2.0	-124.65	403.00	2.31	-122.34
CC1=CN=C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)CCC2)C([O-])=C1	REAL300029516431	1	47	-2.0	-122.69	366.48	4.06	-118.63
O=C(NC1CCCN(C(=O)C2=CC([O-])=CS2)CCC1)C1=CC(=O)[N-]O1	REAL300029516454	0	42	-2.0	-123.29	338.09	0.88	-122.41
O=C(NC1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)CCC1)C1=CC(=O)[N-]O1	REAL300029516470	0	45	-2.0	-124.56	351.79	2.57	-121.99
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CCC1)C1=CN([O-])C(=O)NC1=O	REAL300029516500	0	45	-2.0	-109.57	358.11	0.65	-108.92
C[C@@H](NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517058	1	44	-2.0	-91.44	380.69	0.32	-91.12
C[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517365	0	44	-2.0	-82.54	387.01	-1.45	-83.99
C[C@@H](NC(=O)CCCN1C(=O)[N-]NC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029517915	0	45	-2.0	-95.86	392.93	-2.07	-97.93
CC(C)CN1[N-]C(CC(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029518112	0	51	-2.0	-101.75	429.83	2.08	-99.67
C[C@@H](NC(=O)CCC1=NNC(=O)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518206	0	43	-2.0	-94.21	380.64	-4.73	-98.94
CC(=O)[N-]C1=NC(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029518207	1	41	-2.0	-88.19	374.63	-1.22	-89.41
C[C@@H](NC(=O)CCN1C=C[N-]C(=O)C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518421	1	44	-2.0	-102.65	386.38	-0.66	-103.31
COC1=C(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029518566	1	42	-2.0	-96.04	369.81	-3.55	-99.59
C[C@@H](NC(=O)C1=NNC(=O)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518717	0	37	-2.0	-94.93	336.05	-4.86	-99.79
C[C@@H](NC(=O)CN1C(=O)[N-]NC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029518859	0	39	-2.0	-96.91	350.43	-3.27	-100.18
CC1=C(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C(C)C)=N1	REAL300029518902	1	49	-2.0	-91.78	406.52	0.79	-90.99
C[C@@H](NC(=O)CN1[N-]C=C2C1=NC=NC2=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519040	0	43	-2.0	-97.81	383.98	-0.30	-98.11
C[C@@H]([N-]C(=O)C(F)(F)C(F)(F)C(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519937	1	37	-2.0	-84.89	345.08	1.14	-83.75
C[C@@H](NC(=O)C1=CN([O-])C(=O)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029519954	0	39	-2.0	-104.64	348.74	1.34	-103.30
C[C@@H](NC(=O)C1=CC(=O)NC([O-])=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520161	0	39	-2.0	-90.23	347.59	-3.62	-93.85
C[C@@H](NC(=O)C1=COC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520177	1	35	-2.0	-91.57	319.65	-3.76	-95.33
C[C@@H](NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520240	1	47	-2.0	-91.40	396.44	0.87	-90.53
C[C@@H]([N-]C(=O)C(F)(F)C(F)(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520328	1	34	-2.0	-80.58	321.13	0.36	-80.22
CCN1[N-]C(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029520461	0	42	-2.0	-93.87	369.02	-0.14	-94.01
C[C@@H](NC(=O)CC1=CC(=O)N[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520472	1	39	-2.0	-98.54	345.41	-2.16	-100.70
C[C@@H](NC(=O)C1=CC=CC(=S)N1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520499	0	39	-2.0	-123.80	355.68	3.32	-120.48
C[C@@H](NC(=O)CC1SC(=O)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520518	0	39	-2.0	-89.08	358.26	-3.64	-92.72
C[C@@H](NC(=O)C1=NN(C)C(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520538	0	38	-2.0	-96.89	341.80	-2.58	-99.47
CC1=C(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)NC(C2CC2)=N1	REAL300029520670	0	47	-2.0	-92.51	397.50	0.99	-91.52
CC1=C(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300029520670	1	47	-2.0	-92.51	397.50	0.99	-91.52
C[C@@H](NC(=O)C1=C[N-]N=CC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520686	0	37	-2.0	-79.57	330.33	-0.59	-80.16
C[C@@H](NC(=O)C1=CC=C2N=NN([O-])C2=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520730	0	41	-2.0	-103.51	363.93	-0.27	-103.78
C[C@@H](NC(=O)C1=CC(=O)N[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520857	0	36	-2.0	-90.59	324.48	-2.78	-93.37
C[C@@H](NC(=O)C(=O)[PH](C)(C)[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520862	0	41	-2.0	-88.30	360.00	-1.15	-89.45
C[C@@H](NC(=O)CC1=CC(=O)N(C)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520865	0	42	-2.0	-100.65	368.25	-0.44	-101.09
C[C@@H](NC(=O)C1=CC=CN([O-])C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520916	0	39	-2.0	-103.35	344.70	1.45	-101.90
CSC1=NC=C(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029520942	1	41	-2.0	-86.48	372.55	-0.72	-87.20
CC1=C([O-])N=C(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029520970	1	38	-2.0	-93.99	352.65	-2.63	-96.62
C[C@@H](NC(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029520994	1	38	-2.0	-83.90	356.26	0.55	-83.35
C[C@@H](NC(=O)C1=CC(=O)N([O-])C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521022	0	39	-2.0	-105.09	349.11	1.32	-103.77
C[C@@H](NC(=O)C1=CC=CC(=O)N1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521097	0	39	-2.0	-120.52	344.56	2.27	-118.25
C[C@@H](NC(=O)C[N-]C(=O)C(F)(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521315	0	38	-2.0	-89.98	354.87	-2.89	-92.87
C[C@@H](NC(=O)CC1=C([O-])N=C(N)S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521316	0	40	-2.0	-105.84	366.09	-3.74	-109.58
C[C@@H](NC(=O)CC1=NC([O-])=CS1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521395	0	38	-2.0	-107.60	351.26	-2.89	-110.49
CCC1=NC=C(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029521427	1	43	-2.0	-85.65	371.30	-0.23	-85.88
C[C@@H](NC(=O)CN1N=CC(=O)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521441	0	40	-2.0	-98.31	360.77	-4.30	-102.61
C[C@@H](NC(=O)C1=C(Cl)C(=O)[N-]S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521541	0	35	-2.0	-91.62	342.05	-1.49	-93.11
COCC1=NC=C(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029521681	0	44	-2.0	-90.94	382.54	-2.01	-92.95
COCC1=NC=C(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029521681	1	44	-2.0	-90.94	382.54	-2.01	-92.95
C[C@@H](NC(=O)C1=CN=C(CC2CC2)NC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521696	0	47	-2.0	-85.71	402.24	1.36	-84.35
C[C@@H](NC(=O)C1=CN=C(CC2CC2)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521696	1	47	-2.0	-85.71	402.24	1.36	-84.35
CC1=CC(=O)C(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029521804	0	40	-2.0	-93.62	353.44	0.92	-92.70
C[C@@H](NC(=O)C1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521827	0	35	-2.0	-90.62	320.60	-4.21	-94.83
C[C@@H](NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029521857	1	40	-2.0	-87.62	363.29	0.28	-87.34
CC1=NC2=NC=C(C(=O)N[C@H](C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C(=O)N2[N-]1	REAL300029521893	0	43	-2.0	-89.58	376.75	2.49	-87.09
C[C@@H](NC(=O)C1=CN=C(C=N[O-])S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522020	0	38	-2.0	-102.63	359.86	-1.21	-103.84
COC1=NC(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029522041	0	41	-2.0	-94.73	365.21	-4.77	-99.50
C[C@@H](NC(=O)C1=CC(=O)N(C)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522292	0	39	-2.0	-93.11	347.29	-1.08	-94.19
C[C@@H](NC(=O)C1=CC=CC2=C1C(=O)[N-]C2=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522302	1	42	-2.0	-107.43	370.02	-0.69	-108.12
C[C@@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522306	0	39	-2.0	-94.50	361.74	-3.05	-97.55
CC1=C(C(=O)N[C@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029522307	1	41	-2.0	-111.36	374.83	-1.69	-113.05
C[C@@H](NC(=O)C1=NC(=O)[N-]C(=O)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522572	0	37	-2.0	-90.59	339.23	-5.80	-96.39
C[C@@H](NC(=O)C1=NC(=O)NC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522572	1	37	-2.0	-88.15	338.51	-5.09	-93.24
C[C@@H](NC(=O)COC1=NC(=O)[N-]C(=O)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522672	0	41	-2.0	-96.54	371.64	-6.64	-103.18
C[C@@H](NC(=O)COC1=NC(=O)NC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522672	1	41	-2.0	-90.52	371.58	-6.58	-97.10
C[C@@H](NC(=O)CN1[N-]C(=O)C=CC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029522851	0	41	-2.0	-98.07	366.55	-2.20	-100.27
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300029523096	1	38	-2.0	-100.56	336.10	0.87	-99.69
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1	REAL300029523226	1	44	-2.0	-98.71	382.18	-0.69	-99.40
CC(=O)[N-]C1=NC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029523244	1	41	-2.0	-89.08	374.39	-0.93	-90.01
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300029523285	0	37	-2.0	-94.23	337.09	-4.65	-98.88
COC1=C(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029523355	1	42	-2.0	-96.07	368.12	-3.52	-99.59
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300029523568	0	39	-2.0	-93.86	352.29	-3.17	-97.03
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2[N-]C=C3C2=NC=NC3=O)C1	REAL300029523638	0	43	-2.0	-95.95	379.76	-0.41	-96.36
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCN2C(=O)[N-]NC2=O)C1	REAL300029524836	0	45	-2.0	-92.46	394.96	-1.86	-94.32
CC(C)CN1[N-]C(CC(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029525047	0	51	-2.0	-98.91	429.16	1.89	-97.02
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300029525107	1	44	-2.0	-100.95	378.85	1.13	-99.82
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1	REAL300029525361	0	44	-2.0	-84.89	387.21	-0.96	-85.85
CC1=C(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C(C)C)=N1	REAL300029525916	1	49	-2.0	-100.45	418.14	0.32	-100.13
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)C1	REAL300029526262	0	43	-2.0	-91.41	376.44	-4.83	-96.24
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1	REAL300029526272	0	41	-2.0	-93.47	365.22	2.23	-91.24
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300029526291	1	39	-2.0	-100.23	357.24	2.63	-97.60
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300029526332	1	40	-2.0	-92.45	360.12	0.78	-91.67
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C1	REAL300029526369	0	41	-2.0	-101.58	367.89	0.49	-101.09
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1	REAL300029526441	0	41	-2.0	-103.70	365.40	3.30	-100.40
CCC1=NC=C(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029526480	1	43	-2.0	-99.21	368.02	0.47	-98.74
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300029526510	1	35	-2.0	-93.26	319.36	-3.18	-96.44
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1	REAL300029526607	0	41	-2.0	-103.12	368.53	2.01	-101.11
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300029526627	0	38	-2.0	-87.75	350.67	-3.02	-90.77
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300029526628	0	40	-2.0	-108.07	369.37	-3.59	-111.66
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300029526641	0	39	-2.0	-86.69	361.29	0.85	-85.84
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300029526674	1	39	-2.0	-92.02	347.17	0.67	-91.35
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([O-])=C3SC=CC3=C2)C1	REAL300029526685	1	42	-2.0	-101.09	375.92	1.66	-99.43
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300029526688	0	38	-2.0	-92.39	344.22	-0.09	-92.48
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300029526703	1	40	-2.0	-95.22	359.17	0.76	-94.46
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300029526709	0	38	-2.0	-96.63	350.74	0.74	-95.89
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(N)[N-]C(=O)C(C#N)=C2)C1	REAL300029526718	0	41	-2.0	-87.92	376.50	-2.18	-90.10
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300029526739	0	40	-2.0	-100.22	364.05	-4.17	-104.39
CC1=CC=C([O-])C(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029526852	1	41	-2.0	-101.43	357.49	1.57	-99.86
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300029526856	1	41	-2.0	-101.00	362.69	-2.97	-103.97
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300029526885	0	37	-2.0	-91.16	327.50	0.10	-91.06
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300029526900	0	39	-2.0	-104.10	345.62	2.07	-102.03
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300029527058	1	39	-2.0	-101.80	345.92	0.54	-101.26
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1	REAL300029527156	0	41	-2.0	-96.17	365.02	2.12	-94.05
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300029527235	0	36	-2.0	-90.16	324.45	-2.72	-92.88
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300029527243	0	41	-2.0	-89.02	359.83	-1.12	-90.14
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(=O)C=C([O-])C2=CC=CC=N2)C1	REAL300029527278	0	44	-2.0	-103.87	386.16	1.92	-101.95
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(CC3CC3)NC2=O)C1	REAL300029527302	0	47	-2.0	-99.38	399.44	2.15	-97.23
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)C1	REAL300029527302	1	47	-2.0	-99.38	399.44	2.15	-97.23
COCC1=NC=C(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029527328	0	44	-2.0	-100.05	381.45	-1.21	-101.26
COCC1=NC=C(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029527328	1	44	-2.0	-100.05	381.45	-1.21	-101.26
CC1=CC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300029527338	0	44	-2.0	-94.30	385.26	2.93	-91.37
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300029527404	0	39	-2.0	-104.86	344.97	0.88	-103.98
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C1	REAL300029527445	0	39	-2.0	-95.30	358.69	0.54	-94.76
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NNC(=O)[N-]2)C1	REAL300029527447	0	35	-2.0	-93.74	318.84	-4.09	-97.83
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(O)C=CC=C2Cl)C1	REAL300029527452	0	39	-2.0	-98.11	362.71	1.18	-96.93
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300029527452	1	39	-2.0	-98.11	362.71	1.18	-96.93
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300029527462	0	39	-2.0	-113.28	353.39	1.25	-112.03
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300029527511	0	39	-2.0	-93.22	361.12	0.82	-92.40
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300029527511	1	39	-2.0	-93.22	361.12	0.82	-92.40
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2C=C(C#N)C(=O)[N-]C2=O)C1	REAL300029527672	0	42	-2.0	-104.10	388.45	-1.84	-105.94
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300029527758	0	39	-2.0	-99.48	346.93	2.17	-97.31
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300029527758	1	39	-2.0	-99.48	346.93	2.17	-97.31
CC1=CC=NC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029527874	1	41	-2.0	-103.93	357.80	1.68	-102.25
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1	REAL300029527943	0	39	-2.0	-100.03	361.73	2.56	-97.47
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300029528084	1	38	-2.0	-93.82	334.27	-1.41	-95.23
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300029528100	0	39	-2.0	-118.92	353.55	3.03	-115.89
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300029528275	1	47	-2.0	-100.48	394.70	1.68	-98.80
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C1	REAL300029528294	1	41	-2.0	-100.19	369.51	-1.05	-101.24
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300029528299	0	38	-2.0	-88.74	354.40	-0.33	-89.07
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2N)C1	REAL300029528377	0	43	-2.0	-96.62	377.61	0.50	-96.12
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300029528384	1	39	-2.0	-90.36	355.38	1.11	-89.25
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1	REAL300029528387	0	42	-2.0	-96.68	373.08	0.29	-96.39
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300029528402	0	38	-2.0	-105.81	353.02	-2.75	-108.56
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300029528430	0	39	-2.0	-98.92	353.22	0.81	-98.11
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300029528434	0	41	-2.0	-94.68	362.32	-2.32	-97.00
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300029528439	0	39	-2.0	-102.50	346.91	2.18	-100.32
CC1=CC=C(F)C([O-])=C1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029528499	0	42	-2.0	-105.39	374.19	1.40	-103.99
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300029528612	0	39	-2.0	-87.32	360.76	-3.51	-90.83
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300029528646	0	39	-2.0	-94.23	352.11	0.61	-93.62
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1	REAL300029528650	1	40	-2.0	-87.76	369.53	-0.86	-88.62
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300029528657	0	39	-2.0	-99.23	355.42	2.53	-96.70
CC1=CC(=O)C(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029528701	0	40	-2.0	-94.01	352.67	1.20	-92.81
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C1	REAL300029528706	0	44	-2.0	-103.56	378.74	0.76	-102.80
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300029528745	0	39	-2.0	-117.03	342.44	1.99	-115.04
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300029528795	0	39	-2.0	-93.48	362.84	-1.03	-94.51
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C1	REAL300029528796	0	41	-2.0	-93.83	367.44	-6.70	-100.53
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C1	REAL300029528796	1	41	-2.0	-88.76	373.60	-6.42	-95.18
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1	REAL300029528828	0	41	-2.0	-86.98	368.98	2.15	-84.83
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CC([C@@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029528862	0	42	-2.0	-91.88	375.71	1.71	-90.17
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300029528878	0	38	-2.0	-96.31	341.67	-2.42	-98.73
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C1	REAL300029528925	0	41	-2.0	-90.25	366.77	-1.83	-92.08
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300029528972	1	40	-2.0	-99.23	365.49	-1.08	-100.31
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C#N)C=C2[O-])C1	REAL300029528973	0	40	-2.0	-100.31	361.29	2.53	-97.78
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300029528987	0	40	-2.0	-96.69	361.35	2.53	-94.16
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300029529150	0	39	-2.0	-96.15	348.42	-0.37	-96.52
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300029529234	0	39	-2.0	-99.37	345.25	0.38	-98.99
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300029529234	1	39	-2.0	-99.37	345.25	0.38	-98.99
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(O)C3=NC=CC=C3C=C2)C1	REAL300029529244	0	44	-2.0	-110.09	380.13	2.48	-107.61
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1	REAL300029529244	1	44	-2.0	-110.09	380.13	2.48	-107.61
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1	REAL300029529248	0	41	-2.0	-95.30	367.55	2.67	-92.63
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1	REAL300029529252	0	41	-2.0	-92.13	368.69	2.79	-89.34
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(Cl)C=C2O)C1	REAL300029529266	0	39	-2.0	-102.52	357.24	2.63	-99.89
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300029529266	1	39	-2.0	-102.52	357.24	2.63	-99.89
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300029529407	0	37	-2.0	-95.98	337.03	-5.36	-101.34
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300029529407	1	37	-2.0	-86.10	331.72	-4.86	-90.96
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1	REAL300029529457	0	41	-2.0	-91.41	363.03	-0.50	-91.91
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300029529506	1	44	-2.0	-105.48	381.08	3.31	-102.17
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1	REAL300029529507	0	35	-2.0	-89.86	341.27	-1.51	-91.37
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300029529536	1	39	-2.0	-98.41	351.54	-2.20	-100.61
CC1=C(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029529579	0	42	-2.0	-91.45	373.66	0.36	-91.09
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300029529608	0	39	-2.0	-101.43	352.08	0.60	-100.83
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300029529681	0	39	-2.0	-91.73	361.45	1.04	-90.69
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1	REAL300029529690	1	40	-2.0	-86.80	360.92	-0.03	-86.83
COC1=NC(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029529697	0	41	-2.0	-92.78	363.57	-4.46	-97.24
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1	REAL300029529700	0	41	-2.0	-95.76	367.79	-0.79	-96.55
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300029529713	0	38	-2.0	-100.07	353.68	1.51	-98.56
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C1	REAL300029529720	1	42	-2.0	-97.89	378.20	1.85	-96.04
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300029529772	0	39	-2.0	-95.56	355.05	0.86	-94.70
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300029529784	0	38	-2.0	-103.75	333.66	0.36	-103.39
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029529794	0	35	-2.0	-95.14	319.22	-2.30	-97.44
CC1=C([O-])N=C(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029529845	1	38	-2.0	-100.81	351.07	-2.34	-103.15
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1	REAL300029529907	1	45	-2.0	-104.87	392.27	2.87	-102.00
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1	REAL300029529926	1	45	-2.0	-104.61	384.29	4.33	-100.28
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1	REAL300029529935	1	45	-2.0	-111.58	386.56	4.40	-107.18
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300029529994	1	41	-2.0	-89.94	355.84	0.40	-89.54
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300029530034	0	38	-2.0	-101.93	357.92	-1.43	-103.36
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300029530072	1	38	-2.0	-86.67	354.10	0.70	-85.97
CSC1=NC=C(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029530103	1	41	-2.0	-98.87	379.48	-1.03	-99.90
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300029530113	0	39	-2.0	-90.15	345.62	-4.02	-94.17
CCN1[N-]C(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029530211	0	42	-2.0	-92.10	370.38	0.05	-92.05
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CNC(=O)C2=NC=CC=C2[O-])C1	REAL300029530223	1	45	-2.0	-101.73	391.56	-0.96	-102.69
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300029530237	0	39	-2.0	-92.64	346.94	-0.93	-93.57
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1	REAL300029530251	1	42	-2.0	-108.57	371.71	-0.85	-109.42
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300029530256	0	39	-2.0	-91.90	357.52	-3.05	-94.95
CC1=C(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029530258	1	41	-2.0	-104.47	377.01	-1.65	-106.12
CC1=C(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300029530269	1	47	-2.0	-101.13	408.32	0.53	-100.60
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1	REAL300029530336	1	44	-2.0	-98.41	388.32	1.10	-97.31
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300029530464	1	39	-2.0	-99.14	348.70	-1.99	-101.13
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300029530471	1	39	-2.0	-95.06	345.21	0.41	-94.65
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300029530545	0	39	-2.0	-92.29	352.62	0.66	-91.63
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300029530551	0	38	-2.0	-101.40	350.05	0.76	-100.64
CC1=C(CC(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029530576	0	45	-2.0	-97.69	390.16	0.28	-97.41
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC(=O)C2=CC=C([O-])C=C2)C1	REAL300029530588	1	47	-2.0	-92.38	403.65	1.97	-90.41
CC1=CN=C(C(=O)N2CC([C@@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029530632	1	41	-2.0	-101.89	357.54	1.52	-100.37
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1	REAL300029530651	0	40	-2.0	-95.46	375.20	-1.45	-96.91
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([O-])=CS2)C1	REAL300029530677	0	36	-2.0	-98.60	331.70	-0.59	-99.19
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300029530705	0	39	-2.0	-103.74	344.84	0.96	-102.78
C[C@@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1	REAL300029530713	0	39	-2.0	-93.56	362.08	2.60	-90.96
C[C@@H](NC(=O)C1=CN([O-])C(=O)NC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029530771	0	39	-2.0	-90.99	349.95	-1.08	-92.07
C[C@@H](NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029530811	1	40	-2.0	-82.20	360.95	-0.47	-82.67
C[C@@H]1[C@@H](NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531375	1	44	-2.0	-85.45	372.34	0.43	-85.02
C[C@@H]1[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029531682	0	44	-2.0	-77.14	378.33	-1.25	-78.39
C[C@@H]1[C@@H](NC(=O)CCCN2C(=O)[N-]NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532232	0	45	-2.0	-90.12	384.43	-1.88	-92.00
CC(C)CN1[N-]C(CC(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)=CC1=O	REAL300029532429	0	51	-2.0	-95.51	418.74	1.89	-93.62
C[C@@H]1[C@@H](NC(=O)CCC2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532523	0	43	-2.0	-88.98	372.05	-4.63	-93.61
CC(=O)[N-]C1=NC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)=CS1	REAL300029532524	1	41	-2.0	-81.30	366.32	-1.13	-82.43
C[C@@H]1[C@@H](NC(=O)CCN2C=C[N-]C(=O)C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029532738	1	44	-2.0	-93.92	377.81	-0.47	-94.39
COC1=C(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)NC(=O)[N-]C1=O	REAL300029532883	1	42	-2.0	-88.55	361.53	-3.45	-92.00
C[C@@H]1[C@@H](NC(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533034	0	37	-2.0	-87.60	327.65	-4.73	-92.33
C[C@@H]1[C@@H](NC(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533176	0	39	-2.0	-89.59	341.85	-3.08	-92.67
CC1=C(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C(=O)[N-]C(C(C)C)=N1	REAL300029533219	1	49	-2.0	-86.08	398.95	0.90	-85.18
C[C@@H]1[C@@H](NC(=O)CN2[N-]C=C3C2=NC=NC3=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029533357	0	43	-2.0	-92.42	375.32	-0.20	-92.62
C[C@@H]1[C@@H]([N-]C(=O)C(F)(F)C(F)(F)C(F)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534254	0	37	-2.0	-83.43	340.07	0.36	-83.07
C[C@@H]1[C@@H](NC(=O)C2=CN([O-])C(=O)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534271	0	39	-2.0	-100.03	338.82	1.40	-98.63
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534478	0	39	-2.0	-83.24	339.30	-3.52	-86.76
C[C@@H]1[C@@H](NC(=O)C2=COC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534494	1	35	-2.0	-84.70	311.37	-3.67	-88.37
C[C@@H]1[C@@H](NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534557	1	47	-2.0	-85.44	388.09	0.98	-84.46
C[C@@H]1[C@@H]([N-]C(=O)C(F)(F)C(F)(F)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534645	0	34	-2.0	-78.89	315.94	-0.32	-79.21
CCN1[N-]C(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)=CC1=O	REAL300029534778	0	42	-2.0	-86.52	360.73	-0.04	-86.56
C[C@@H]1[C@@H](NC(=O)CC2=CC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534789	1	39	-2.0	-92.58	336.86	-2.04	-94.62
C[C@@H]1[C@@H](NC(=O)C2=CC=CC(=S)N2[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534816	0	39	-2.0	-116.40	347.50	3.41	-112.99
C[C@@H]1[C@@H](NC(=O)CC2SC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534835	0	39	-2.0	-83.80	349.90	-3.52	-87.32
C[C@@H]1[C@@H](NC(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029534855	0	38	-2.0	-89.23	333.43	-2.47	-91.70
CC1=C(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C(=O)NC(C2CC2)=N1	REAL300029534987	0	47	-2.0	-86.69	388.69	1.07	-85.62
CC1=C(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C(=O)[N-]C(C2CC2)=N1	REAL300029534987	1	47	-2.0	-86.69	388.69	1.07	-85.62
C[C@@H]1[C@@H](NC(=O)C2=C[N-]N=CC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535003	0	37	-2.0	-77.50	320.46	-0.51	-78.01
C[C@@H]1[C@@H](NC(=O)C2=CC=C3N=NN([O-])C3=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535047	0	41	-2.0	-97.11	355.38	-0.09	-97.20
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535174	0	36	-2.0	-83.26	316.19	-2.69	-85.95
C[C@@H]1[C@@H](NC(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535179	0	41	-2.0	-82.05	350.33	-1.18	-83.23
C[C@@H]1[C@@H](NC(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535233	0	39	-2.0	-97.94	336.35	1.55	-96.39
CSC1=NC=C(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C(=O)N1	REAL300029535259	0	41	-2.0	-85.12	362.49	-0.63	-85.75
CSC1=NC=C(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C(=O)[N-]1	REAL300029535259	1	41	-2.0	-85.12	362.49	-0.63	-85.75
CC1SC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)=NC1=O	REAL300029535287	0	38	-2.0	-91.42	342.96	-2.57	-93.99
CC1=C([O-])N=C(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)S1	REAL300029535287	1	38	-2.0	-91.42	342.96	-2.57	-93.99
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)C=C(Cl)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535311	0	38	-2.0	-80.32	346.25	0.63	-79.69
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535311	1	38	-2.0	-80.32	346.25	0.63	-79.69
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535339	0	39	-2.0	-100.60	339.20	1.38	-99.22
C[C@@H]1[C@@H](NC(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535414	0	39	-2.0	-112.93	336.39	2.38	-110.55
C[C@@H]1[C@@H](NC(=O)CC2=C([O-])N=C(N)S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535633	0	40	-2.0	-101.29	357.52	-3.63	-104.92
C[C@@H]1[C@@H](NC(=O)CC2=NC([O-])=CS2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535712	0	38	-2.0	-103.48	342.61	-2.76	-106.24
CCC1=NC=C(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C(=O)N1	REAL300029535744	0	43	-2.0	-84.12	361.25	-0.16	-84.28
CCC1=NC=C(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C(=O)[N-]1	REAL300029535744	1	43	-2.0	-84.12	361.25	-0.16	-84.28
C[C@@H]1[C@@H](NC(=O)C2=C(Cl)C(=O)[N-]S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029535858	0	35	-2.0	-84.40	333.75	-1.38	-85.78
COCC1=NC=C(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C(=O)[N-]1	REAL300029535998	1	44	-2.0	-84.91	374.18	-1.92	-86.83
C[C@@H]1[C@@H](NC(=O)C2=CN=C(CC3CC3)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536013	1	47	-2.0	-84.13	392.17	1.43	-82.70
CC1=CC(=O)C(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)=N[N-]1	REAL300029536121	0	40	-2.0	-86.81	344.81	1.12	-85.69
C[C@@H]1[C@@H](NC(=O)C2=NC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536144	0	35	-2.0	-83.96	310.78	-3.98	-87.94
C[C@@H]1[C@@H](NC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536174	1	40	-2.0	-84.28	353.38	0.35	-83.93
CC1=NC2=NC=C(C(=O)N[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@@H]3C)C(=O)N2[N-]1	REAL300029536210	0	43	-2.0	-83.73	368.40	2.59	-81.14
C[C@@H]1[C@@H](NC(=O)C2=CN=C(C=N[O-])S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536337	0	38	-2.0	-96.10	351.44	-1.09	-97.19
COC1=NC(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)=CC(=O)[N-]1	REAL300029536358	0	41	-2.0	-87.22	356.82	-4.67	-91.89
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536623	0	39	-2.0	-85.71	338.92	-0.98	-86.69
C[C@@H]1[C@@H](NC(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536633	1	42	-2.0	-100.78	361.76	-0.56	-101.34
C[C@@H]1[C@@H](NC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536637	0	39	-2.0	-88.94	353.17	-2.84	-91.78
CC1=C(C(=O)N[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@@H]2C)C(=S)[N-]C(=O)N1	REAL300029536638	1	41	-2.0	-99.11	366.58	-1.55	-100.66
C[C@@H]1[C@@H](NC(=O)C2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536903	0	37	-2.0	-87.53	329.22	-5.73	-93.26
C[C@@H]1[C@@H](NC(=O)C2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029536903	1	37	-2.0	-80.83	329.92	-4.97	-85.80
C[C@@H]1[C@@H](NC(=O)COC2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029537003	0	41	-2.0	-90.69	363.00	-6.54	-97.23
C[C@@H]1[C@@H](NC(=O)COC2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029537003	1	41	-2.0	-84.38	362.95	-6.48	-90.86
C[C@@H]1[C@@H](NC(=O)CN2[N-]C(=O)C=CC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029537182	0	41	-2.0	-90.62	357.96	-2.10	-92.72
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300029537427	1	38	-2.0	-97.78	327.82	1.32	-96.46
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300029537548	1	44	-2.0	-94.47	380.75	-0.36	-94.83
CC(=O)[N-]C1=NC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)=CS1	REAL300029537561	1	41	-2.0	-81.00	366.01	-0.54	-81.54
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300029537593	0	37	-2.0	-89.12	327.42	-4.48	-93.60
COC1=C(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)NC(=O)[N-]C1=O	REAL300029537653	1	42	-2.0	-88.03	361.94	-3.28	-91.31
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300029537835	0	39	-2.0	-91.16	344.83	-2.99	-94.15
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300029537890	0	43	-2.0	-93.23	378.36	-0.10	-93.33
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCN1C(=O)[N-]NC1=O	REAL300029538890	0	45	-2.0	-90.72	387.19	-1.77	-92.49
CC(C)CN1[N-]C(CC(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)=CC1=O	REAL300029539065	0	51	-2.0	-97.09	424.17	2.33	-94.76
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300029539121	1	44	-2.0	-85.18	363.43	-1.51	-86.69
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300029540044	0	43	-2.0	-88.50	375.01	-4.49	-92.99
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300029540052	0	41	-2.0	-88.97	358.96	2.34	-86.63
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300029540071	1	39	-2.0	-94.26	341.00	2.41	-91.85
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300029540109	1	40	-2.0	-87.62	352.90	0.92	-86.70
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(N)C(Cl)=C1[O-]	REAL300029540139	0	41	-2.0	-97.14	357.83	0.02	-97.12
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300029540195	0	41	-2.0	-101.32	350.33	3.18	-98.14
CCC1=NC=C(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C(=O)[N-]1	REAL300029540229	1	43	-2.0	-83.55	352.59	-2.17	-85.72
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300029540255	1	35	-2.0	-84.22	311.10	-2.48	-86.70
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300029540364	0	38	-2.0	-83.90	349.20	-2.71	-86.61
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300029540365	0	40	-2.0	-102.77	360.55	-3.51	-106.28
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C=C1F	REAL300029540403	1	39	-2.0	-87.78	339.82	0.64	-87.14
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=C2SC=CC2=C1	REAL300029540411	1	42	-2.0	-95.15	363.29	1.61	-93.54
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300029540414	0	38	-2.0	-84.27	336.05	0.07	-84.20
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300029540427	1	40	-2.0	-88.36	346.39	0.70	-87.66
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300029540433	0	38	-2.0	-90.46	336.46	0.51	-89.95
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1	REAL300029540437	0	41	-2.0	-84.40	367.50	-2.27	-86.67
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300029540453	0	40	-2.0	-94.77	355.24	-4.11	-98.88
CC1=CC=C([O-])C(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)=N1	REAL300029540556	1	41	-2.0	-98.75	349.33	1.91	-96.84
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300029540585	0	37	-2.0	-84.59	329.52	-0.77	-85.36
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300029540597	0	39	-2.0	-101.72	330.63	1.97	-99.75
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC([O-])=C1F	REAL300029540734	1	39	-2.0	-99.16	330.95	0.34	-98.82
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300029540814	0	41	-2.0	-90.45	352.55	2.08	-88.37
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300029540884	0	36	-2.0	-84.15	315.84	-2.35	-86.50
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300029540891	0	41	-2.0	-83.48	350.42	-1.06	-84.54
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC(=O)N(C)[N-]1	REAL300029540895	0	42	-2.0	-96.01	362.52	-0.20	-96.21
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)C=C([O-])C1=CC=CC=N1	REAL300029540923	0	44	-2.0	-98.16	383.91	2.30	-95.86
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(CC2CC2)[N-]C1=O	REAL300029540945	1	47	-2.0	-83.81	383.28	-0.61	-84.42
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(N)=C(F)C([O-])=C1F	REAL300029540956	0	41	-2.0	-100.60	358.49	-1.43	-102.03
COCC1=NC=C(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C(=O)[N-]1	REAL300029540963	1	44	-2.0	-84.49	365.52	-3.93	-88.42
CC1=CC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)=CC([N+](=O)[O-])=C1[O-]	REAL300029540972	0	44	-2.0	-89.88	372.55	2.81	-87.07
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC(F)=C1[O-]	REAL300029540994	0	39	-2.0	-93.95	337.01	2.02	-91.93
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300029541023	0	39	-2.0	-101.13	332.63	0.83	-100.30
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL300029541062	0	39	-2.0	-92.11	343.40	0.46	-91.65
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300029541064	0	35	-2.0	-83.95	310.73	-3.09	-87.04
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300029541077	0	39	-2.0	-109.67	345.71	1.35	-108.32
CC1=NC2=NC=C(C(=O)N3CC[C@H](NC(=O)C4=CC(=O)[N-]O4)[C@H]3C)C(=O)N2[N-]1	REAL300029541196	0	43	-2.0	-92.30	378.54	2.32	-89.98
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(N)=CC(=O)[N-]1	REAL300029541235	0	39	-2.0	-92.94	339.99	-2.65	-95.59
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C=C(C#N)C(=O)[N-]C1=O	REAL300029541250	0	42	-2.0	-99.12	379.54	-1.82	-100.94
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300029541313	0	39	-2.0	-87.18	342.51	0.84	-86.34
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300029541321	1	39	-2.0	-93.84	330.68	1.95	-91.89
CC1=CC=NC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)=C1[O-]	REAL300029541421	1	41	-2.0	-97.81	348.06	1.99	-95.82
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300029541480	0	39	-2.0	-98.85	355.54	2.40	-96.45
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=CC([O-])=C1	REAL300029541603	1	38	-2.0	-84.70	326.99	-1.27	-85.97
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300029541617	0	39	-2.0	-115.84	340.86	2.85	-112.99
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300029541777	1	47	-2.0	-94.81	397.45	0.70	-94.11
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300029541792	1	41	-2.0	-94.51	361.67	-0.98	-95.49
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300029541796	0	38	-2.0	-81.08	346.13	0.16	-80.92
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N	REAL300029541863	0	43	-2.0	-88.40	370.76	0.49	-87.91
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300029541870	1	39	-2.0	-86.48	348.48	1.05	-85.43
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300029541872	0	42	-2.0	-91.71	363.52	-0.33	-92.04
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=NC([O-])=CS1	REAL300029541884	0	38	-2.0	-103.78	345.64	-2.65	-106.43
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300029541910	0	41	-2.0	-92.31	360.92	-2.01	-94.32
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300029541915	0	39	-2.0	-97.06	339.60	1.89	-95.17
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300029542054	0	39	-2.0	-84.04	353.14	-3.41	-87.45
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300029542082	0	39	-2.0	-89.58	345.89	0.70	-88.88
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029542086	1	40	-2.0	-83.13	362.77	-0.67	-83.80
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300029542092	0	39	-2.0	-96.68	340.43	2.43	-94.25
CC1=CC(=O)C(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)=N[N-]1	REAL300029542131	0	40	-2.0	-88.69	344.60	1.38	-87.31
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300029542135	0	44	-2.0	-101.48	376.49	1.04	-100.44
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300029542167	0	39	-2.0	-114.02	329.74	1.81	-112.21
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300029542205	0	39	-2.0	-81.18	341.45	-1.01	-82.19
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300029542206	0	41	-2.0	-89.57	365.94	-6.41	-95.98
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300029542206	1	41	-2.0	-84.20	365.88	-6.34	-90.54
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300029542235	0	41	-2.0	-82.88	362.59	2.15	-80.73
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300029542279	0	38	-2.0	-90.50	333.40	-2.19	-92.69
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300029542317	0	41	-2.0	-86.68	354.18	-1.92	-88.60
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300029542363	0	40	-2.0	-91.52	345.30	2.29	-89.23
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300029542503	0	39	-2.0	-87.45	336.68	-1.29	-88.74
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300029542544	0	39	-2.0	-91.02	354.23	2.37	-88.65
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300029542573	1	39	-2.0	-92.46	332.77	0.33	-92.13
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300029542582	1	44	-2.0	-108.98	373.32	2.21	-106.77
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300029542586	0	41	-2.0	-93.79	361.34	2.50	-91.29
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300029542590	0	41	-2.0	-88.13	352.63	2.58	-85.55
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300029542601	1	39	-2.0	-96.95	349.91	2.33	-94.62
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300029542625	0	41	-2.0	-84.71	354.53	0.91	-83.80
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029542714	0	37	-2.0	-85.73	328.86	-4.76	-90.49
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029542714	1	37	-2.0	-80.78	329.60	-4.03	-84.81
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300029542754	0	41	-2.0	-89.43	355.19	-0.44	-89.87
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300029542796	1	44	-2.0	-102.97	372.95	3.64	-99.33
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300029542797	0	35	-2.0	-85.72	331.62	-1.68	-87.40
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300029542817	1	39	-2.0	-84.36	325.67	-3.87	-88.23
CC1=C(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)[N-]C(=O)C(C#N)=C1	REAL300029542857	0	42	-2.0	-81.40	365.74	0.88	-80.52
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C([O-])=C1F	REAL300029542879	0	39	-2.0	-98.87	345.84	0.68	-98.19
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300029542947	0	39	-2.0	-85.20	354.35	1.19	-84.01
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029542953	1	40	-2.0	-84.90	361.60	0.32	-84.58
COC1=NC(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)=CC(=O)[N-]1	REAL300029542960	0	41	-2.0	-88.21	353.84	-3.81	-92.02
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300029542962	0	41	-2.0	-84.82	343.18	-0.93	-85.75
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300029542970	0	38	-2.0	-93.96	344.02	1.82	-92.14
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300029542977	1	42	-2.0	-96.01	376.80	2.18	-93.83
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300029543019	0	39	-2.0	-88.56	342.58	0.82	-87.74
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC=C1[O-]	REAL300029543030	0	38	-2.0	-95.92	319.36	0.09	-95.83
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029543037	0	35	-2.0	-87.65	310.82	-2.18	-89.83
CC1=C([O-])N=C(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)S1	REAL300029543078	1	38	-2.0	-90.10	342.83	-1.69	-91.79
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300029543150	1	45	-2.0	-99.61	375.13	3.69	-95.92
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300029543159	1	45	-2.0	-104.18	370.46	4.14	-100.04
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300029543208	1	41	-2.0	-85.97	353.51	0.86	-85.11
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300029543240	0	38	-2.0	-96.55	350.17	-1.38	-97.93
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029543272	1	38	-2.0	-80.98	345.71	1.18	-79.80
CSC1=NC=C(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C(=O)[N-]1	REAL300029543301	1	41	-2.0	-84.92	353.54	-2.72	-87.64
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300029543310	0	39	-2.0	-82.95	347.38	-3.53	-86.48
CCN1[N-]C(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)=CC1=O	REAL300029543399	0	42	-2.0	-87.52	360.50	0.29	-87.23
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CNC(=O)C1=NC=CC=C1[O-]	REAL300029543410	1	45	-2.0	-97.33	390.13	-0.63	-97.96
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300029543420	0	39	-2.0	-86.66	338.69	-0.65	-87.31
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300029543435	0	39	-2.0	-88.15	356.06	-2.72	-90.87
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC(=O)N[N-]1	REAL300029543601	1	39	-2.0	-93.71	339.66	-1.93	-95.64
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300029543608	1	39	-2.0	-90.85	332.71	0.35	-90.50
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300029543669	0	39	-2.0	-90.77	338.47	0.44	-90.33
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300029543674	0	38	-2.0	-93.98	335.77	0.53	-93.45
CC1=C(CC(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C(=O)N(C)[N-]1	REAL300029543695	0	45	-2.0	-95.86	382.62	0.48	-95.38
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC(=O)C1=CC=C([O-])C=C1	REAL300029543704	1	47	-2.0	-89.50	402.26	2.30	-87.20
CC1=CN=C(C(=O)N2CC[C@H](NC(=O)C3=CC(=O)[N-]O3)[C@H]2C)C([O-])=C1	REAL300029543745	1	41	-2.0	-99.34	349.16	1.95	-97.39
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CS1	REAL300029543783	0	36	-2.0	-94.48	323.87	-0.53	-95.01
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300029543807	0	39	-2.0	-99.87	331.78	0.81	-99.06
C[C@@H]1[C@@H](NC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300029543815	0	39	-2.0	-90.40	346.81	2.49	-87.91
C[C@@H]1[C@@H](NC(=O)C2=CN([O-])C(=O)NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029543863	0	39	-2.0	-84.81	341.66	-0.96	-85.77
C[C@@H]1[C@@H](NC(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300029543903	1	40	-2.0	-76.35	352.72	-0.35	-76.70
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NNC(=O)[N-]C1=O	REAL300029544827	0	44	-2.0	-97.65	375.51	-2.72	-100.37
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029544888	0	46	-2.0	-101.96	389.34	-1.14	-103.10
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN([O-])C(=O)C=C1	REAL300029545316	0	46	-2.0	-109.70	386.23	3.30	-106.40
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)NC([O-])=C1	REAL300029545404	0	46	-2.0	-87.40	387.01	-1.48	-88.88
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COC(=O)[N-]1	REAL300029545415	1	42	-2.0	-91.52	359.13	-1.63	-93.15
O=C([N-][C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(F)(F)C(F)(F)F	REAL300029545481	1	41	-2.0	-85.11	365.39	1.69	-83.42
CCN1[N-]C(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029545539	0	49	-2.0	-91.76	408.53	2.01	-89.75
O=C(CC1=CC(=O)N[N-]1)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545546	1	46	-2.0	-96.70	384.58	-0.01	-96.71
CN1N=C(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300029545573	0	45	-2.0	-94.80	381.31	-0.43	-95.23
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=C[N-]N=CC1=O	REAL300029545636	0	44	-2.0	-81.69	368.21	1.54	-80.15
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N[N-]1	REAL300029545707	0	43	-2.0	-92.32	363.97	-0.65	-92.97
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545712	0	48	-2.0	-88.31	402.28	0.57	-87.74
O=C(CCC1=NC(=O)NN1)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545734	0	48	-2.0	-98.52	399.63	-1.08	-99.60
O=C(CCC1=NC(=O)[N-]N1)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545734	1	48	-2.0	-98.52	399.63	-1.08	-99.60
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CN([O-])C1=O	REAL300029545737	0	46	-2.0	-100.71	384.31	3.60	-97.11
CC1SC(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NC1=O	REAL300029545758	0	45	-2.0	-97.57	390.71	-0.53	-98.10
CC1=C([O-])N=C(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300029545758	1	45	-2.0	-97.57	390.71	-0.53	-98.10
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N([O-])C=C1	REAL300029545776	0	46	-2.0	-109.55	386.96	3.42	-106.13
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC(=O)N1[O-]	REAL300029545801	0	46	-2.0	-119.99	384.12	4.42	-115.57
O=C(CC1=NC([O-])=CS1)N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029545920	0	45	-2.0	-110.38	390.48	-0.71	-111.09
CC1=CC(=O)C(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300029546090	0	47	-2.0	-92.25	392.70	3.16	-89.09
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)N[N-]1	REAL300029546101	0	42	-2.0	-91.98	358.57	-1.93	-93.91
CN1[N-]C(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029546302	0	46	-2.0	-90.87	386.72	1.08	-89.79
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)[N-]C(=O)N1	REAL300029546408	0	44	-2.0	-85.56	377.49	-3.03	-88.59
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)NC(=O)[N-]1	REAL300029546408	1	44	-2.0	-85.56	377.49	-3.03	-88.59
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=NC=CC=C2O)CC1)C1=CC(=O)[N-]O1	REAL300029546763	0	45	-2.0	-104.89	375.92	3.41	-101.48
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=NC=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029546763	1	45	-2.0	-104.89	375.92	3.41	-101.48
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1)C1=CC(=O)[N-]O1	REAL300029546866	0	44	-2.0	-96.75	379.54	-3.89	-100.64
O=C(CN1C(=O)[N-]NC1=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029546974	0	46	-2.0	-97.27	392.51	-0.91	-98.18
N#CC1=CC([O-])=CC(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029547910	1	47	-2.0	-89.82	405.19	3.12	-86.70
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=COC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300029547980	1	42	-2.0	-86.18	358.67	-0.17	-86.35
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC=C([O-])C=C2F)CC1)C1=CC(=O)[N-]O1	REAL300029548053	1	46	-2.0	-93.37	390.47	2.78	-90.59
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1)C1=CC(=O)[N-]O1	REAL300029548058	0	45	-2.0	-92.93	386.12	2.18	-90.75
N#CC1=CC=C(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C=C1[O-]	REAL300029548061	1	47	-2.0	-98.09	404.49	3.15	-94.94
CC1=CC=C([O-])C(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029548120	1	48	-2.0	-104.46	400.04	3.43	-101.03
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=C[N-]N=CC2=O)CC1)C1=CC(=O)[N-]O1	REAL300029548132	0	44	-2.0	-91.19	377.07	1.24	-89.95
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029548139	0	46	-2.0	-111.02	391.10	3.15	-107.87
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC=CC([O-])=C2F)CC1)C1=CC(=O)[N-]O1	REAL300029548211	1	46	-2.0	-105.90	391.38	2.84	-103.06
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300029548286	0	43	-2.0	-88.47	363.54	-0.25	-88.72
C[PH](C)([O-])C(=O)C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548292	0	48	-2.0	-88.01	397.23	0.71	-87.30
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1)C1=CC(=O)[N-]O1	REAL300029548351	0	46	-2.0	-108.53	393.88	3.41	-105.12
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=NC(=O)N[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300029548368	0	42	-2.0	-92.38	358.34	-0.85	-93.23
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1)C1=CC(=O)[N-]O1	REAL300029548373	0	46	-2.0	-105.49	390.26	3.26	-102.23
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(F)=CC=C2O)CC1)C1=CC(=O)[N-]O1	REAL300029548493	0	46	-2.0	-101.15	391.29	3.16	-97.99
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029548493	1	46	-2.0	-101.15	391.29	3.16	-97.99
CC1=CC=NC(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)=C1O	REAL300029548540	0	48	-2.0	-101.91	396.23	4.10	-97.81
CC1=CC=NC(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)=C1[O-]	REAL300029548540	1	48	-2.0	-101.91	396.23	4.10	-97.81
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CN=CC(O)=C2)CC1)C1=CC(=O)[N-]O1	REAL300029548608	0	45	-2.0	-95.68	379.14	0.83	-94.85
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CN=CC([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300029548608	1	45	-2.0	-95.68	379.14	0.83	-94.85
O=C(CC1=NC([O-])=CS1)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029548710	0	45	-2.0	-111.73	393.37	-0.55	-112.28
CC1=CC(=O)C(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300029548833	0	47	-2.0	-94.27	392.70	3.47	-90.80
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1)C1=CC(=O)[N-]O1	REAL300029548851	0	46	-2.0	-118.22	393.94	3.21	-115.01
N#CC1=CC=C(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300029548871	0	46	-2.0	-96.58	403.08	1.10	-95.48
CN1N=C(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300029548901	0	45	-2.0	-95.70	381.08	-0.08	-95.78
N#CC1=CC=C(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C([O-])=C1	REAL300029548936	0	47	-2.0	-102.76	404.63	3.43	-99.33
N#CC1=CC=C([O-])C(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300029548942	0	47	-2.0	-97.98	405.71	3.52	-94.46
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300029549040	1	46	-2.0	-102.51	390.53	2.78	-99.73
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL300029549098	0	44	-2.0	-87.95	377.89	-1.95	-89.90
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300029549098	1	44	-2.0	-87.95	377.89	-1.95	-89.90
NC1=NC=C(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N1	REAL300029549138	0	46	-2.0	-92.81	385.63	-0.13	-92.94
NC1=NC=C(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300029549138	1	46	-2.0	-92.81	385.63	-0.13	-92.94
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)[N-]O1	REAL300029549235	0	42	-2.0	-96.01	358.69	-0.16	-96.17
CC1SC(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)=NC1=O	REAL300029549252	0	45	-2.0	-98.90	390.78	0.56	-98.34
CC1=C([O-])N=C(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300029549252	1	45	-2.0	-98.90	390.78	0.56	-98.34
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C(=O)C2=CC=C(O)C=C2)CC1)C1=CC(=O)[N-]O1	REAL300029549331	0	48	-2.0	-96.41	410.25	2.75	-93.66
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC1)C1=CC(=O)[N-]O1	REAL300029549331	1	48	-2.0	-96.41	410.25	2.75	-93.66
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300029549369	0	46	-2.0	-87.51	394.14	-1.49	-89.00
CCN1[N-]C(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029549414	0	49	-2.0	-92.12	408.08	2.39	-89.73
CN1[N-]C(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029549430	0	46	-2.0	-91.22	386.24	1.46	-89.76
O=C(CC1=CC(=O)NN1)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549520	0	46	-2.0	-100.09	387.50	0.17	-99.92
O=C(CC1=CC(=O)N[N-]1)N1CCC([C@@H]2C[C@H]2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029549520	1	46	-2.0	-100.09	387.50	0.17	-99.92
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC=C(O)C(F)=C2)CC1)C1=CC(=O)[N-]O1	REAL300029549524	0	46	-2.0	-94.62	390.51	2.81	-91.81
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1)C1=CC(=O)[N-]O1	REAL300029549524	1	46	-2.0	-94.62	390.51	2.81	-91.81
CC1=CN=C(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C(O)=C1	REAL300029549593	0	48	-2.0	-106.36	397.37	4.06	-102.30
CC1=CN=C(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)C3=CC(=O)[N-]O3)CC2)C([O-])=C1	REAL300029549593	1	48	-2.0	-106.36	397.37	4.06	-102.30
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CC([O-])=CS2)CC1)C1=CC(=O)[N-]O1	REAL300029549606	0	43	-2.0	-100.32	373.19	1.61	-98.71
O=C(N[C@@H]1C[C@H]1C1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1)C1=CC(=O)[N-]O1	REAL300029549619	0	46	-2.0	-99.10	393.81	3.40	-95.70
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=NNC(=O)[N-]C1=O	REAL300029550817	0	40	-2.0	-98.68	339.67	-3.72	-102.40
O=C(CN1C(=O)[N-]NC1=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029550901	0	42	-2.0	-121.48	352.35	-2.36	-123.84
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CN([O-])C(=O)C=C1	REAL300029551487	0	42	-2.0	-110.54	352.37	2.46	-108.08
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC(=O)NC([O-])=C1	REAL300029551601	0	42	-2.0	-98.72	353.68	-2.53	-101.25
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=COC(=O)[N-]1	REAL300029551612	1	38	-2.0	-96.85	323.85	-2.63	-99.48
O=C([N-]C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C(F)(F)C(F)(F)F	REAL300029551701	0	37	-2.0	-89.11	328.00	0.69	-88.42
CCN1[N-]C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)=CC1=O	REAL300029551781	0	45	-2.0	-99.38	374.64	1.04	-98.34
O=C(CC1=CC(=O)N[N-]1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029551788	1	42	-2.0	-102.00	348.23	-1.02	-103.02
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC=CC(=S)N1[O-]	REAL300029551803	0	42	-2.0	-130.05	360.28	4.38	-125.67
CN1N=C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)[N-]C1=O	REAL300029551827	0	41	-2.0	-101.63	345.44	-1.45	-103.08
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=C[N-]N=CC1=O	REAL300029551915	0	40	-2.0	-78.88	332.42	0.25	-78.63
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC(=O)N[N-]1	REAL300029552010	0	39	-2.0	-95.46	328.16	-1.63	-97.09
C[PH](C)([O-])C(=O)C(=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552015	0	44	-2.0	-83.94	367.32	-0.55	-84.49
O=C(CCC1=NC(=O)NN1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552041	0	44	-2.0	-105.14	363.50	-1.98	-107.12
O=C(CCC1=NC(=O)[N-]N1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552041	1	44	-2.0	-105.14	363.50	-1.98	-107.12
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC=CN([O-])C1=O	REAL300029552045	0	42	-2.0	-109.79	349.51	2.58	-107.21
CC1SC(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)=NC1=O	REAL300029552073	0	41	-2.0	-104.00	354.88	-1.53	-105.53
CC1=C([O-])N=C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)S1	REAL300029552073	1	41	-2.0	-104.00	354.88	-1.53	-105.53
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC(=O)C=C(Cl)N1	REAL300029552086	0	41	-2.0	-82.07	358.89	1.43	-80.64
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC(=O)C=C(Cl)[N-]1	REAL300029552086	1	41	-2.0	-82.07	358.89	1.43	-80.64
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC(=O)N([O-])C=C1	REAL300029552103	0	42	-2.0	-105.99	352.66	2.42	-103.57
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC=CC(=O)N1[O-]	REAL300029552136	0	42	-2.0	-127.61	349.17	3.33	-124.28
O=C(C[N-]C(=O)C(F)(F)F)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552256	0	41	-2.0	-84.78	358.69	-2.01	-86.79
NC1=NC([O-])=C(CC(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)S1	REAL300029552257	0	43	-2.0	-136.93	368.00	-2.91	-139.84
O=C(CC1=NC([O-])=CS1)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029552301	0	41	-2.0	-138.64	353.19	-2.04	-140.68
CC1=CC(=O)C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)=N[N-]1	REAL300029552530	0	43	-2.0	-100.87	358.84	2.14	-98.73
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=NNC(=O)[N-]1	REAL300029552545	0	38	-2.0	-98.96	324.58	-3.07	-102.03
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CN=C(C=N[O-])S1	REAL300029552653	0	41	-2.0	-96.86	363.56	-0.33	-97.19
CN1[N-]C(C(=O)NC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2F)=CC1=O	REAL300029552809	0	42	-2.0	-98.34	352.88	0.12	-98.22
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C(F)(F)C(F)F	REAL300029552902	0	37	-2.0	-90.37	322.99	0.55	-89.82
O=C([N-]C1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C(F)(F)C(F)F	REAL300029552902	1	37	-2.0	-90.37	322.99	0.55	-89.82
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=NC(=O)[N-]C(=O)N1	REAL300029552961	0	40	-2.0	-92.32	343.86	-3.90	-96.22
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=NC(=O)NC(=O)[N-]1	REAL300029552961	1	40	-2.0	-92.32	343.86	-3.90	-96.22
O=C(CN1[N-]C(=O)C=CC1=O)NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029553099	0	44	-2.0	-103.10	369.35	-1.08	-104.18
O=C(NC1CCCN(C(=O)C2=NC=CC=C2O)CC1F)C1=CC(=O)[N-]O1	REAL300029553351	0	41	-2.0	-114.32	340.84	2.99	-111.33
O=C(NC1CCCN(C(=O)C2=NC=CC=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029553351	1	41	-2.0	-114.32	340.84	2.99	-111.33
O=C(NC1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1F)C1=CC(=O)[N-]O1	REAL300029553472	0	40	-2.0	-96.45	338.88	-3.21	-99.66
O=C(CN1C(=O)[N-]NC1=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029553631	0	42	-2.0	-99.46	359.32	-1.89	-101.35
O=C(NC1CCCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029554937	1	42	-2.0	-97.91	357.47	3.22	-94.69
N#CC1=CC([O-])=CC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=C1	REAL300029554962	1	43	-2.0	-95.49	371.40	2.13	-93.36
O=C(NC1CCCN(C(=O)C2=COC(=O)[N-]2)CC1F)C1=CC(=O)[N-]O1	REAL300029555061	1	38	-2.0	-85.17	324.21	-0.83	-86.00
O=C(C[N-]C(=O)C(F)(F)F)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555127	0	41	-2.0	-102.69	363.82	-1.86	-104.55
NC1=NC([O-])=C(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)S1	REAL300029555128	0	43	-2.0	-114.80	374.49	-2.35	-117.15
O=C(NC1CCCN(C(=O)C2=C(F)C=C([O-])C=C2F)CC1F)C1=CC(=O)[N-]O1	REAL300029555137	0	42	-2.0	-88.51	366.73	2.05	-86.46
O=C(NC1CCCN(C(=O)C2=CC=C([O-])C=C2F)CC1F)C1=CC(=O)[N-]O1	REAL300029555150	1	42	-2.0	-93.76	351.98	1.63	-92.13
O=C(NC1CCCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1F)C1=CC(=O)[N-]O1	REAL300029555156	0	41	-2.0	-97.00	349.21	1.01	-95.99
N#CC1=CC=C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C=C1[O-]	REAL300029555162	1	43	-2.0	-101.66	367.65	1.80	-99.86
O=C(NC1CCCN(C(=O)C2=CC(Cl)=NC=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029555165	0	41	-2.0	-91.70	356.75	0.33	-91.37
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555181	0	43	-2.0	-105.88	369.17	-2.98	-108.86
CC1=CC=C([O-])C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=N1	REAL300029555241	1	44	-2.0	-102.05	360.83	3.38	-98.67
O=C(NC1CCCN(C(=O)C2=C[N-]N=CC2=O)CC1F)C1=CC(=O)[N-]O1	REAL300029555259	0	40	-2.0	-89.62	344.54	0.29	-89.33
O=C(NC1CCCN(C(=O)C2=CC=CC(F)=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029555268	0	42	-2.0	-104.24	346.78	2.93	-101.31
O=C(NC1CCCN(C(=O)C2=CC=CC([O-])=C2F)CC1F)C1=CC(=O)[N-]O1	REAL300029555354	1	42	-2.0	-102.25	347.09	1.60	-100.65
O=C(NC1CCCN(C(=O)C2=CC(=O)N[N-]2)CC1F)C1=CC(=O)[N-]O1	REAL300029555452	0	39	-2.0	-92.77	327.61	-1.11	-93.88
C[PH](C)([O-])C(=O)C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029555458	0	44	-2.0	-94.66	359.21	-0.07	-94.73
O=C(NC1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029555544	0	42	-2.0	-108.48	360.43	2.18	-106.30
O=C(NC1CCCN(C(=O)C2=NC(=O)N[N-]2)CC1F)C1=CC(=O)[N-]O1	REAL300029555568	0	38	-2.0	-94.54	322.49	-1.54	-96.08
O=C(NC1CCCN(C(=O)C2=C(O)C=CC=C2Cl)CC1F)C1=CC(=O)[N-]O1	REAL300029555570	0	42	-2.0	-95.72	366.73	2.28	-93.44
O=C(NC1CCCN(C(=O)C2=C([O-])C=CC=C2Cl)CC1F)C1=CC(=O)[N-]O1	REAL300029555570	1	42	-2.0	-95.72	366.73	2.28	-93.44
O=C(NC1CCCN(C(=O)C2=CC=CN([O-])C2=O)CC1F)C1=CC(=O)[N-]O1	REAL300029555574	0	42	-2.0	-120.42	357.56	2.34	-118.08
O=C(NC1CCCN(C(=O)C2=C(F)C=CC(O)=C2F)CC1F)C1=CC(=O)[N-]O1	REAL300029555603	0	42	-2.0	-99.57	362.35	1.87	-97.70
O=C(NC1CCCN(C(=O)C2=C(F)C=CC([O-])=C2F)CC1F)C1=CC(=O)[N-]O1	REAL300029555603	1	42	-2.0	-99.57	362.35	1.87	-97.70
O=C(NC1CCCN(C(=O)C2=CC(F)=CC=C2O)CC1F)C1=CC(=O)[N-]O1	REAL300029555738	0	42	-2.0	-97.15	347.15	2.79	-94.36
O=C(NC1CCCN(C(=O)C2=CC(F)=CC=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029555738	1	42	-2.0	-97.15	347.15	2.79	-94.36
CC1=CC=NC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=C1O	REAL300029555801	0	44	-2.0	-104.52	359.90	3.53	-100.99
CC1=CC=NC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=C1[O-]	REAL300029555801	1	44	-2.0	-104.52	359.90	3.53	-100.99
O=C(NC1CCCN(C(=O)C2=CN=CC([O-])=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029555905	1	41	-2.0	-92.39	344.28	-0.14	-92.53
O=C(NC1CCCN(C(=O)C2=CC=CC(=S)N2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029555915	0	42	-2.0	-115.10	368.33	2.82	-112.28
O=C(NC1CCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC1F)C1=CC(=O)[N-]O1	REAL300029556019	0	41	-2.0	-92.62	358.01	1.73	-90.89
O=C(NC1CCCN(C(=O)C2=CC=C([O-])C=C2Cl)CC1F)C1=CC(=O)[N-]O1	REAL300029556056	1	42	-2.0	-93.77	360.88	2.07	-91.70
O=C(CC1=NC([O-])=CS1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556067	0	41	-2.0	-114.85	359.67	-1.49	-116.34
O=C(NC1CCCN(C(=O)C2=C([O-])C=CC=C2F)CC1F)C1=CC(=O)[N-]O1	REAL300029556082	0	42	-2.0	-97.75	360.30	2.02	-95.73
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556084	0	44	-2.0	-99.00	375.46	-0.90	-99.90
O=C(NC1CCCN(C(=O)C2=CC=C(F)C=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029556085	0	42	-2.0	-94.49	351.74	1.74	-92.75
CC1=CC=C(F)C([O-])=C1C(=O)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029556115	0	45	-2.0	-124.77	380.81	2.76	-122.01
O=C(NC1CCCN(C(=O)C2=CC=C([O-])C(F)=C2F)CC1F)C1=CC(=O)[N-]O1	REAL300029556201	0	42	-2.0	-99.64	364.10	1.86	-97.78
O=C(NC1CCCN(C(=O)C2=CC=CC(Cl)=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029556207	0	42	-2.0	-99.53	356.59	3.39	-96.14
CC1=CC(=O)C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=N[N-]1	REAL300029556235	0	43	-2.0	-95.65	356.07	2.67	-92.98
O=C(NC1CCCN(C(=O)C2=CC=CC(=O)N2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029556260	0	42	-2.0	-113.54	357.23	2.21	-111.33
N#CC1=CC=C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C(=O)[N-]1	REAL300029556284	0	42	-2.0	-100.42	364.42	-0.04	-100.46
CN1N=C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)[N-]C1=O	REAL300029556328	0	41	-2.0	-97.21	347.00	-0.94	-98.15
O=C(NC1CCCN(C(=O)C2=C(F)C=CC(O)=C2O)CC1F)C1=CC(=O)[N-]O1	REAL300029556375	0	43	-2.0	-104.61	366.88	-0.03	-104.64
O=C(NC1CCCN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029556375	1	43	-2.0	-104.61	366.88	-0.03	-104.64
N#CC1=CC=C([O-])C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=C1	REAL300029556384	0	43	-2.0	-93.74	361.60	3.13	-90.61
O=C(NC1CCCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1F)C1=CC(=O)[N-]O1	REAL300029556466	0	42	-2.0	-92.75	365.45	-0.17	-92.92
O=C(NC1CCCN(C(=O)C2=CC=C(F)C(O)=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029556517	0	42	-2.0	-105.93	353.69	1.42	-104.51
O=C(NC1CCCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029556517	1	42	-2.0	-105.93	353.69	1.42	-104.51
O=C(NC1CCCN(C(=O)C2=CC=C(Cl)C=C2O)CC1F)C1=CC(=O)[N-]O1	REAL300029556535	0	42	-2.0	-94.60	362.02	2.20	-92.40
O=C(NC1CCCN(C(=O)C2=CC=C(Cl)C=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029556535	1	42	-2.0	-94.60	362.02	2.20	-92.40
O=C(NC1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1F)C1=CC(=O)[N-]O1	REAL300029556600	0	40	-2.0	-101.77	341.21	-2.96	-104.73
O=C(NC1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1F)C1=CC(=O)[N-]O1	REAL300029556600	1	40	-2.0	-91.16	342.52	-2.11	-93.27
O=C(NC1CCCN(C(=O)C2=CC=C(F)C([O-])=C2F)CC1F)C1=CC(=O)[N-]O1	REAL300029556687	0	42	-2.0	-110.08	364.07	1.86	-108.22
COC1=NC(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=CC(=O)[N-]1	REAL300029556729	0	44	-2.0	-93.61	360.75	-2.73	-96.34
O=C(NC1CCCN(C(=O)C2=NC=CC(Cl)=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029556738	0	41	-2.0	-100.86	355.77	3.36	-97.50
O=C(NC1CCCN(C(=O)C2=CC=C(Cl)C([O-])=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029556776	0	42	-2.0	-102.29	363.47	1.93	-100.36
O=C(NC1CCCN(C(=O)C2=CC=NC=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029556784	0	41	-2.0	-99.39	340.44	-0.14	-99.53
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC(=O)[N-]O1	REAL300029556790	0	38	-2.0	-99.01	322.85	-1.15	-100.16
CC1=C([O-])N=C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)S1	REAL300029556812	1	41	-2.0	-102.35	354.64	0.03	-102.32
O=C(NC1CCCN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029556903	1	44	-2.0	-93.19	365.04	1.92	-91.27
O=C(NC1CCCN(C(=O)C2=CN=C(C=N[O-])S2)CC1F)C1=CC(=O)[N-]O1	REAL300029556920	0	41	-2.0	-106.29	359.81	-0.45	-106.74
O=C(NC1CCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1F)C1=CC(=O)[N-]O1	REAL300029556940	1	41	-2.0	-87.67	358.73	2.57	-85.10
O=C(NC1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029556960	0	42	-2.0	-89.03	360.96	-2.44	-91.47
CCN1[N-]C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=CC1=O	REAL300029557016	0	45	-2.0	-94.05	374.07	1.52	-92.53
CN1[N-]C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=CC1=O	REAL300029557034	0	42	-2.0	-93.42	352.29	0.59	-92.83
O=C(CC1=CC(=O)N[N-]1)N1CCCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029557165	1	42	-2.0	-102.32	354.33	-0.80	-103.12
O=C(NC1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029557170	1	42	-2.0	-103.34	353.66	1.44	-101.90
O=C(NC1CCCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029557213	0	42	-2.0	-100.18	357.11	1.79	-98.39
O=C(NC1CCCN(C(=O)C2=CC=NC(Cl)=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029557218	0	41	-2.0	-115.50	362.56	0.66	-114.84
CC1=C(CC(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C(=O)N(C)[N-]1	REAL300029557233	0	48	-2.0	-116.01	396.02	1.64	-114.37
CC1=CN=C(C(=O)N2CCCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C([O-])=C1	REAL300029557268	1	44	-2.0	-106.57	361.81	3.33	-103.24
O=C(NC1CCCN(C(=O)C2=CC([O-])=CS2)CC1F)C1=CC(=O)[N-]O1	REAL300029557288	0	39	-2.0	-98.65	333.00	0.06	-98.59
O=C(NC1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029557304	0	42	-2.0	-99.08	360.42	2.51	-96.57
O=C(NC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CN([O-])C(=O)NC1=O	REAL300029557331	0	42	-2.0	-97.32	352.87	0.04	-97.28
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CN=C(C2CC2)[N-]C1=O	REAL300029557793	1	48	-2.0	-91.98	396.78	1.90	-90.08
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=NNC(=O)[N-]C1=O	REAL300029558597	0	41	-2.0	-91.10	351.36	-3.60	-94.70
O=C(CN1C(=O)[N-]NC1=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029558679	0	43	-2.0	-92.81	365.77	-1.74	-94.55
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CN([O-])C(=O)C=C1	REAL300029559271	0	43	-2.0	-102.39	362.72	2.74	-99.65
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC(=O)NC([O-])=C1	REAL300029559381	0	43	-2.0	-87.26	363.20	-2.17	-89.43
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=COC(=O)[N-]1	REAL300029559392	1	39	-2.0	-89.63	335.26	-2.33	-91.96
CCN1[N-]C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC1=O	REAL300029559559	0	46	-2.0	-91.06	385.10	1.41	-89.65
O=C(CC1=CC(=O)N[N-]1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559566	1	43	-2.0	-94.35	361.24	-0.61	-94.96
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC=CC(=S)N1[O-]	REAL300029559582	0	43	-2.0	-116.43	371.74	4.69	-111.74
O=C(CC1SC(=O)[N-]C1=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559592	0	43	-2.0	-86.87	374.34	-2.09	-88.96
CN1N=C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)[N-]C1=O	REAL300029559606	0	42	-2.0	-93.75	357.80	-1.02	-94.77
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=C[N-]N=CC1=O	REAL300029559693	0	41	-2.0	-82.98	344.77	0.92	-82.06
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC=C2N=NN([O-])C2=C1	REAL300029559726	0	45	-2.0	-98.86	379.28	1.25	-97.61
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC(=O)N[N-]1	REAL300029559798	0	40	-2.0	-88.09	340.56	-1.23	-89.32
C[PH](C)([O-])C(=O)C(=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029559802	0	45	-2.0	-86.66	379.09	0.09	-86.57
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC=CN([O-])C1=O	REAL300029559835	0	43	-2.0	-105.71	360.79	3.01	-102.70
CC1=C([O-])N=C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)S1	REAL300029559865	1	42	-2.0	-99.80	366.57	-1.24	-101.04
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC(=O)C=C(Cl)[N-]1	REAL300029559877	1	42	-2.0	-84.28	370.24	1.95	-82.33
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC(=O)N([O-])C=C1	REAL300029559892	0	43	-2.0	-103.37	363.10	2.73	-100.64
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC=CC(=O)N1[O-]	REAL300029559930	0	43	-2.0	-114.00	360.63	3.65	-110.35
O=C(C[N-]C(=O)C(F)(F)F)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560047	0	42	-2.0	-85.51	371.47	-1.38	-86.89
NC1=NC([O-])=C(CC(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)S1	REAL300029560048	0	44	-2.0	-103.14	381.44	-2.29	-105.43
O=C(CC1=NC([O-])=CS1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560092	0	42	-2.0	-104.51	366.34	-1.44	-105.95
CCC1=NC=C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C(=O)[N-]1	REAL300029560109	1	47	-2.0	-88.09	385.33	1.20	-86.89
O=C(CN1N=CC(=O)[N-]C1=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560120	0	44	-2.0	-95.94	375.85	-2.87	-98.81
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=C(Cl)C(=O)[N-]S1	REAL300029560177	0	39	-2.0	-88.66	358.11	0.07	-88.59
CC1=CC(=O)C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=N[N-]1	REAL300029560325	0	44	-2.0	-92.01	368.55	2.26	-89.75
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=NNC(=O)[N-]1	REAL300029560339	0	39	-2.0	-91.28	335.03	-2.69	-93.97
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CN=C(C=N[O-])S1	REAL300029560447	0	42	-2.0	-99.41	375.17	0.24	-99.17
COC1=NC(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC(=O)[N-]1	REAL300029560462	0	45	-2.0	-90.96	381.27	-3.20	-94.16
CN1[N-]C(C(=O)NC2(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC1=O	REAL300029560619	0	43	-2.0	-90.31	363.29	0.49	-89.82
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560626	0	43	-2.0	-91.20	377.08	-1.51	-92.71
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=NC(=O)[N-]C(=O)N1	REAL300029560774	0	41	-2.0	-93.59	353.68	-4.28	-97.87
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=NC(=O)NC(=O)[N-]1	REAL300029560774	1	41	-2.0	-85.70	354.57	-3.64	-89.34
O=C(CN1[N-]C(=O)C=CC1=O)NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300029560918	0	45	-2.0	-91.53	383.61	-0.74	-92.27
O=C(NC1(C2CCN(C(=O)C3=NC=CC=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029561171	1	42	-2.0	-104.57	351.86	2.77	-101.80
O=C(NC1(C2CCN(C(=O)C3=NNC(=O)[N-]C3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029561306	0	41	-2.0	-95.01	351.47	-3.00	-98.01
O=C(CN1C(=O)[N-]NC1=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029561499	0	43	-2.0	-98.10	369.13	-1.50	-99.60
O=C(NC1(C2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029562463	1	48	-2.0	-101.97	405.45	1.54	-100.43
O=C(NC1(C2CCN(C(=O)C3=CC(Cl)=CC=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029563151	1	43	-2.0	-97.72	374.57	3.46	-94.26
N#CC1=CC([O-])=CC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300029563178	1	44	-2.0	-86.68	375.14	2.31	-84.37
CCC1=NC=C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C(=O)[N-]1	REAL300029563277	1	47	-2.0	-100.64	394.37	0.95	-99.69
O=C(NC1(C2CCN(C(=O)C3=COC(=O)[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563297	1	39	-2.0	-88.88	335.36	-1.19	-90.07
O=C(C[N-]C(=O)C(F)(F)F)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563374	0	42	-2.0	-89.47	373.58	-1.21	-90.68
NC1=NC([O-])=C(CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)S1	REAL300029563375	0	44	-2.0	-112.98	384.79	-2.02	-115.00
O=C(NC1(C2CCN(C(=O)C3=C(F)C=C([O-])C=C3F)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563385	0	43	-2.0	-87.85	376.71	2.40	-85.45
O=C(NC1(C2CCN(C(=O)C3=CC=C([O-])C=C3F)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563401	1	43	-2.0	-91.21	364.72	2.19	-89.02
O=C(NC1(C2CCN(C(=O)C3=CC([O-])=CC(=O)O3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563407	0	42	-2.0	-88.95	360.23	1.51	-87.44
N#CC1=CC=C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C=C1[O-]	REAL300029563416	1	44	-2.0	-88.99	374.45	2.38	-86.61
O=C(NC1(C2CCN(C(=O)C3=CC(Cl)=NC=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029563420	0	42	-2.0	-93.58	369.51	1.51	-92.07
N#CC1=CC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C(N)[N-]C1=O	REAL300029563426	0	45	-2.0	-87.83	392.04	-0.62	-88.45
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563443	0	44	-2.0	-103.33	379.47	-2.61	-105.94
CC1=CC=C([O-])C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=N1	REAL300029563514	1	45	-2.0	-105.50	373.46	3.34	-102.16
O=C(CCC1=NNC(=O)[N-]1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563516	0	45	-2.0	-92.88	379.48	-0.85	-93.73
O=C(NC1(C2CCN(C(=O)C3=C[N-]N=CC3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563535	0	41	-2.0	-91.67	353.98	0.71	-90.96
O=C(NC1(C2CCN(C(=O)C3=CC=CC(F)=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029563546	0	43	-2.0	-105.08	364.07	3.01	-102.07
O=C(NC1(C2CCN(C(=O)C3=CC=CC([O-])=C3F)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563650	1	43	-2.0	-101.02	364.32	2.11	-98.91
O=C(NC1(C2CCN(C(=O)C3=CC(=O)N[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563775	0	40	-2.0	-89.64	340.20	-0.96	-90.60
C[PH](C)([O-])C(=O)C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029563781	0	45	-2.0	-88.17	368.80	-0.37	-88.54
O=C(NC1(C2CCN(C(=O)C3=CC(F)=CC(F)=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029563861	0	43	-2.0	-97.02	370.72	3.17	-93.85
O=C(NC1(C2CCN(C(=O)C3=CC(=O)N([O-])C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563889	0	43	-2.0	-103.90	370.68	2.85	-101.05
O=C(NC1(C2CCN(C(=O)C3=NC(=O)N[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563918	0	39	-2.0	-88.99	334.99	-1.79	-90.78
O=C(NC1(C2CCN(C(=O)C3=C([O-])C=CC=C3Cl)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563922	1	43	-2.0	-102.99	379.68	2.78	-100.21
O=C(NC1(C2CCN(C(=O)C3=CC=CN([O-])C3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563927	0	43	-2.0	-108.60	369.97	2.83	-105.77
O=C(NC1(C2CCN(C(=O)C3=C(F)C=CC([O-])=C3F)C2)CC1)C1=CC(=O)[N-]O1	REAL300029563957	1	43	-2.0	-98.02	376.55	2.37	-95.65
NC1=CC(=O)[N-]C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=N1	REAL300029564055	0	43	-2.0	-99.09	364.01	-1.25	-100.34
O=C(NC1(C2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029564114	0	43	-2.0	-90.37	370.26	2.52	-87.85
O=C(NC1(C2CCN(C(=O)C3=CC(F)=CC=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029564119	1	43	-2.0	-97.25	364.25	3.01	-94.24
CC1=CC=NC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1[O-]	REAL300029564186	1	45	-2.0	-104.50	372.18	3.46	-101.04
O=C(NC1(C2CCN(C(=O)C3=CN=CC([O-])=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029564317	1	42	-2.0	-89.39	349.39	0.15	-89.24
O=C(NC1(C2CCN(C(=O)C3=CC=CC(=S)N3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029564327	0	43	-2.0	-124.87	381.16	3.26	-121.61
O=C(NC1(C2CCN(C(=O)C3=CC=C([O-])C(Cl)=N3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029564455	0	42	-2.0	-85.64	370.16	1.59	-84.05
O=C(NC1(C2CCN(C(=O)C3=CC=C([O-])C=C3Cl)C2)CC1)C1=CC(=O)[N-]O1	REAL300029564501	1	43	-2.0	-89.44	372.64	2.47	-86.97
N#CC1=CC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C([O-])C=C1N	REAL300029564503	0	46	-2.0	-96.50	391.63	1.27	-95.23
O=C(CC1=NC([O-])=CS1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564513	0	42	-2.0	-111.88	369.97	-1.15	-113.03
O=C(NC1(C2CCN(C(=O)C3=C([O-])C=CC=C3F)C2)CC1)C1=CC(=O)[N-]O1	REAL300029564528	0	43	-2.0	-103.78	370.18	2.40	-101.38
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564530	0	45	-2.0	-97.59	385.25	-0.51	-98.10
O=C(NC1(C2CCN(C(=O)C3=CC=C(F)C=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029564532	0	43	-2.0	-98.90	364.51	3.10	-95.80
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564572	0	46	-2.0	-99.43	389.63	2.95	-96.48
O=C(CC1SC(=O)[N-]C1=O)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564647	0	43	-2.0	-87.58	377.71	-1.92	-89.50
O=C(NC1(C2CCN(C(=O)C3=CC=C([O-])C(F)=C3F)C2)CC1)C1=CC(=O)[N-]O1	REAL300029564673	0	43	-2.0	-92.45	370.56	2.19	-90.26
O=C(NC1(C2CCN(C(=O)C3=CC=CC(Cl)=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029564680	0	43	-2.0	-100.08	373.87	3.49	-96.59
CC1=CC(=O)C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=N[N-]1	REAL300029564711	0	44	-2.0	-94.84	368.67	2.87	-91.97
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029564715	0	48	-2.0	-108.22	401.11	2.54	-105.68
O=C(NC1(C2CCN(C(=O)C3=CC=CC(=O)N3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029564739	0	43	-2.0	-108.71	369.96	2.64	-106.07
N#CC1=CC=C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C(=O)[N-]1	REAL300029564772	0	43	-2.0	-90.28	379.68	0.54	-89.74
CN1N=C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)[N-]C1=O	REAL300029564827	0	42	-2.0	-96.39	357.64	-0.77	-97.16
[N-]=[N+]=NC1=CC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC=C1[O-]	REAL300029564853	0	45	-2.0	-87.72	386.42	-0.05	-87.77
O=C(NC1(C2CCN(C(=O)C3=C(F)C=CC(O)=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029564889	1	44	-2.0	-97.45	380.93	0.47	-96.98
N#CC1=CC=C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C([O-])=C1	REAL300029564890	0	44	-2.0	-96.72	378.91	3.44	-93.28
N#CC1=CC=C([O-])C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=C1	REAL300029564899	0	44	-2.0	-94.48	378.44	3.55	-90.93
O=C(NC1(C2CCN(C(=O)C3=CN([O-])C(=O)NC3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565001	0	43	-2.0	-93.08	375.09	0.25	-92.83
O=C(NC1(C2CCN(C(=O)C3=CC=C(F)C([O-])=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565060	1	43	-2.0	-92.89	360.51	1.99	-90.90
O=C(NC1(C2CCN(C(=O)C3=CC=C(Cl)C=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029565080	1	43	-2.0	-98.97	374.81	3.55	-95.42
O=C(NC1(C2CCN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565158	0	41	-2.0	-85.87	353.58	-2.68	-88.55
O=C(NC1(C2CCN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565158	1	41	-2.0	-85.87	353.58	-2.68	-88.55
O=C(NC1(C2CCN(C(=O)C3=CC=C4N=NN([O-])C4=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565179	0	45	-2.0	-92.74	376.52	0.97	-91.77
O=C(NC1(C2CCN(C(=O)C3=C(Cl)C(=O)[N-]S3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565210	0	39	-2.0	-91.04	355.40	-0.07	-91.11
NC1=NC=C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C(=O)N1	REAL300029565228	0	43	-2.0	-101.11	367.74	-0.71	-101.82
NC1=NC=C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C(=O)[N-]1	REAL300029565228	1	43	-2.0	-101.11	367.74	-0.71	-101.82
CC1=C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)[N-]C(=O)C(C#N)=C1	REAL300029565254	0	46	-2.0	-85.52	389.45	2.31	-83.21
O=C(NC1(C2CCN(C(=O)C3=CC=C4N[N-]N=C4C3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565323	0	45	-2.0	-99.66	383.95	0.66	-99.00
O=C(NC1(C2CCN(C(=O)C3=NC=CC(Cl)=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029565333	0	42	-2.0	-100.51	368.05	3.28	-97.23
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565389	0	39	-2.0	-92.71	335.29	-0.75	-93.46
CC1SC(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=NC1=O	REAL300029565415	0	42	-2.0	-94.50	367.13	-0.35	-94.85
CC1=C([O-])N=C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)S1	REAL300029565415	1	42	-2.0	-94.50	367.13	-0.35	-94.85
O=C(NC1(C2CCN(C(=O)C(=O)C3=CC=C(O)C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565514	0	45	-2.0	-90.83	378.14	2.25	-88.58
O=C(NC1(C2CCN(C(=O)C(=O)C3=CC=C([O-])C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565514	1	45	-2.0	-90.83	378.14	2.25	-88.58
O=C(NC1(C2CCN(C(=O)C3=CN=C(C=N[O-])S3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565540	0	42	-2.0	-101.55	373.04	0.19	-101.36
O=C(NC1(C2CCN(C(=O)C3=CC(=O)C=C(Cl)N3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565565	0	42	-2.0	-86.38	369.83	2.59	-83.79
O=C(NC1(C2CCN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565565	1	42	-2.0	-86.38	369.83	2.59	-83.79
O=C(NC1(C2CCN(C(=O)C3=CC(=O)NC([O-])=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565590	0	43	-2.0	-88.16	370.79	-2.05	-90.21
CCN1[N-]C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC1=O	REAL300029565654	0	46	-2.0	-93.33	384.75	1.69	-91.64
CN1[N-]C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC1=O	REAL300029565676	0	43	-2.0	-92.35	362.94	0.76	-91.59
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565688	0	43	-2.0	-92.93	380.43	-1.21	-94.14
O=C(CC1=CC(=O)NN1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565836	0	43	-2.0	-99.60	364.13	-0.43	-100.03
O=C(CC1=CC(=O)N[N-]1)N1CCC(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300029565836	1	43	-2.0	-99.60	364.13	-0.43	-100.03
O=C(NC1(C2CCN(C(=O)C3=CC=C(O)C(F)=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565841	0	43	-2.0	-93.54	360.46	2.02	-91.52
O=C(NC1(C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565841	1	43	-2.0	-93.54	360.46	2.02	-91.52
O=C(NC1(C2CCN(C(=O)C3=CC(F)=C([O-])C(F)=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565895	0	43	-2.0	-93.32	367.57	2.03	-91.29
O=C(NC1(C2CCN(C(=O)C3=CC=NC(Cl)=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300029565901	0	42	-2.0	-97.30	368.81	1.57	-95.73
CC1=C(CC(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C(=O)N(C)[N-]1	REAL300029565916	0	49	-2.0	-99.04	407.00	1.97	-97.07
CC1=CN=C(C(=O)N2CCC(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)C2)C([O-])=C1	REAL300029565954	1	45	-2.0	-106.09	373.31	3.39	-102.70
O=C(NC1(C2CCN(C(=O)C3=CC([O-])=CS3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565979	0	40	-2.0	-100.42	346.81	1.03	-99.39
O=C(NC1(C2CCN(C(=O)C3=CN([O-])C(=O)C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300029565995	0	43	-2.0	-98.44	369.81	2.73	-95.71
O=C(NC1(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CN([O-])C(=O)NC1=O	REAL300029566028	0	43	-2.0	-88.02	365.58	0.38	-87.64
O=C(NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=COC(=O)[N-]1	REAL300029566710	1	43	-2.0	-88.93	357.04	-3.08	-92.01
O=C(CC1=CC(=O)N[N-]1)NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029566781	1	47	-2.0	-97.90	382.29	-1.57	-99.47
CN1N=C(C(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)[N-]C1=O	REAL300029566787	0	46	-2.0	-96.95	378.80	-1.99	-98.94
O=C(NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=C[N-]N=CC1=O	REAL300029566816	0	45	-2.0	-81.83	366.09	0.08	-81.75
O=C(NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC(=O)N[N-]1	REAL300029566847	0	44	-2.0	-91.75	361.52	-2.21	-93.96
O=C(NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=NC(=O)N[N-]1	REAL300029566999	0	43	-2.0	-94.70	356.14	-3.50	-98.20
CN1[N-]C(C(=O)NC2CCOC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=CC1=O	REAL300029567070	0	47	-2.0	-93.95	384.29	-0.50	-94.45
O=C(NC1CCOC12CCN(C(=O)C1=NC=CC=C1[O-])CC2)C1=CC(=O)[N-]O1	REAL300029567411	1	46	-2.0	-105.21	373.81	1.96	-103.25
O=C(NC1CCOC12CCN(C(=O)C1=COC(=O)[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300029567907	1	43	-2.0	-86.67	356.81	-1.59	-88.26
O=C(NC1CCOC12CCN(C(=O)C1=C[N-]N=CC1=O)CC2)C1=CC(=O)[N-]O1	REAL300029567981	0	45	-2.0	-86.07	369.38	-0.22	-86.29
O=C(NC1CCOC12CCN(C(=O)C1=CC(=O)N[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300029568042	0	44	-2.0	-88.77	361.69	-1.66	-90.43
O=C(NC1CCOC12CCN(C(=O)C1=NC(=O)N[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300029568076	0	43	-2.0	-86.98	356.04	-2.30	-89.28
O=C(NC1CCOC12CCN(C(=O)C1=CN=CC([O-])=C1)CC2)C1=CC(=O)[N-]O1	REAL300029568186	1	46	-2.0	-95.59	375.51	-0.66	-96.25
CN1N=C(C(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029568297	0	46	-2.0	-95.80	378.73	-1.51	-97.31
O=C(NC1CCOC12CCN(C(=O)C1=CC=NC=C1[O-])CC2)C1=CC(=O)[N-]O1	REAL300029568430	0	46	-2.0	-104.29	377.92	-0.29	-104.58
O=C(NC1CCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC(=O)[N-]O1	REAL300029568433	0	43	-2.0	-96.51	356.30	-1.72	-98.23
CN1[N-]C(C(=O)N2CCC3(CC2)OCCC3NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029568522	0	47	-2.0	-92.81	384.23	0.02	-92.79
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CC1)OCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029568570	1	47	-2.0	-97.84	385.36	-1.28	-99.12
O=C(NC1CCOC12CCN(C(=O)C1=CC([O-])=CS1)CC2)C1=CC(=O)[N-]O1	REAL300029568614	0	44	-2.0	-99.85	371.11	0.16	-99.69
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300029569669	1	48	-2.0	-112.01	404.29	2.03	-109.98
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300029570636	0	41	-2.0	-95.01	350.26	-2.76	-97.77
O=C(CN1C(=O)[N-]NC1=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029570738	0	43	-2.0	-110.66	367.59	-1.06	-111.72
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300029571445	0	43	-2.0	-109.92	368.71	3.24	-106.68
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300029571576	0	43	-2.0	-89.91	367.96	-1.66	-91.57
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=COC(=O)[N-]1)C2	REAL300029571587	1	39	-2.0	-110.79	333.34	-0.28	-111.07
CCN1[N-]C(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029571780	0	46	-2.0	-105.75	383.45	2.27	-103.48
O=C(CC1=CC(=O)N[N-]1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571788	1	43	-2.0	-112.41	362.60	0.02	-112.39
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=CC=CC(=S)N1[O-])C2	REAL300029571808	0	43	-2.0	-127.43	374.50	3.97	-123.46
O=C(CC1SC(=O)[N-]C1=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029571819	0	43	-2.0	-88.67	374.88	-1.45	-90.12
CN1N=C(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300029571836	0	42	-2.0	-119.74	355.67	-0.20	-119.94
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300029571933	0	41	-2.0	-81.49	346.58	1.03	-80.46
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2	REAL300029571969	0	45	-2.0	-106.52	380.21	1.59	-104.93
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300029572054	0	40	-2.0	-88.17	337.20	-0.41	-88.58
C[PH](C)([O-])C(=O)C(=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572059	0	45	-2.0	-87.28	370.79	0.55	-86.73
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300029572096	0	43	-2.0	-109.27	364.02	3.06	-106.21
CC1SC(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NC1=O	REAL300029572131	0	42	-2.0	-95.78	364.22	0.39	-95.39
CC1=C([O-])N=C(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300029572131	1	42	-2.0	-95.78	364.22	0.39	-95.39
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)C=C(Cl)N1)C2	REAL300029572145	0	42	-2.0	-86.18	369.62	2.97	-83.21
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2	REAL300029572145	1	42	-2.0	-86.18	369.62	2.97	-83.21
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300029572165	0	43	-2.0	-109.27	365.27	3.16	-106.11
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300029572208	0	43	-2.0	-122.73	363.36	3.32	-119.41
NC1=NC([O-])=C(CC(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300029572347	0	44	-2.0	-107.52	381.58	-1.61	-109.13
O=C(CC1=NC([O-])=CS1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029572399	0	42	-2.0	-123.95	368.43	-0.69	-124.64
CCC1=NC=C(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N1	REAL300029572420	0	47	-2.0	-110.58	393.21	1.44	-109.14
CCC1=NC=C(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300029572420	1	47	-2.0	-110.58	393.21	1.44	-109.14
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=C(Cl)C(=O)[N-]S1)C2	REAL300029572496	0	39	-2.0	-90.07	356.45	0.31	-89.76
CC1=CC(=O)C(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N[N-]1	REAL300029572671	0	44	-2.0	-91.85	367.45	3.13	-88.72
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300029572687	0	39	-2.0	-88.56	331.99	-1.01	-89.57
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=CN=C(C=N[O-])S1)C2	REAL300029572821	0	42	-2.0	-104.61	373.67	0.64	-103.97
CN1[N-]C(C(=O)N2CCCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029573016	0	43	-2.0	-105.18	361.64	1.34	-103.84
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029573024	0	43	-2.0	-101.43	378.92	-0.72	-102.15
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300029573199	0	41	-2.0	-92.55	351.03	-2.88	-95.43
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300029573199	1	41	-2.0	-93.85	354.03	-2.42	-96.27
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029573368	0	45	-2.0	-103.59	382.04	-0.14	-103.73
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300029573622	1	42	-2.0	-136.43	349.83	2.84	-133.59
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300029573757	0	41	-2.0	-121.51	349.43	-2.82	-124.33
O=C(CN1C(=O)[N-]NC1=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029573950	0	43	-2.0	-119.26	366.02	-1.19	-120.45
O=C(C1=CN=C(C2CC2)[N-]C1=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029574914	1	48	-2.0	-100.04	401.91	2.10	-97.94
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC(Cl)=CC=C3[O-])C2)C1	REAL300029575602	1	43	-2.0	-138.61	370.29	4.43	-134.18
N#CC1=CC([O-])=CC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029575629	1	44	-2.0	-88.76	372.86	2.73	-86.03
CCC1=NC=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029575728	1	47	-2.0	-131.14	381.67	2.41	-128.73
O=C(C1=COC(=O)[N-]1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575748	1	39	-2.0	-91.52	332.27	-1.36	-92.88
O=C(C[N-]C(=O)C(F)(F)F)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575825	0	42	-2.0	-118.39	370.47	-0.91	-119.30
NC1=NC([O-])=C(CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029575826	0	44	-2.0	-110.63	380.64	-1.77	-112.40
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=C(F)C=C([O-])C=C3F)C2)C1	REAL300029575836	0	43	-2.0	-101.51	373.88	2.76	-98.75
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC=C([O-])C=C3F)C2)C1	REAL300029575852	1	43	-2.0	-124.32	360.65	2.41	-121.91
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC([O-])=CC(=O)O3)C2)C1	REAL300029575858	0	42	-2.0	-119.04	358.07	1.80	-117.24
N#CC1=CC=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1[O-]	REAL300029575867	1	44	-2.0	-100.43	372.01	2.79	-97.64
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC(Cl)=NC=C3[O-])C2)C1	REAL300029575871	0	42	-2.0	-123.16	362.62	2.54	-120.62
N#CC1=CC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C(N)[N-]C1=O	REAL300029575877	0	45	-2.0	-122.91	386.67	-0.13	-123.04
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575894	0	44	-2.0	-107.40	375.51	-2.21	-109.61
CC1=CC=C([O-])C(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300029575965	1	45	-2.0	-111.41	370.40	3.41	-108.00
O=C(CCC1=NC(=O)[N-]N1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029575967	1	45	-2.0	-100.37	375.42	-1.00	-101.37
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300029575986	0	41	-2.0	-120.16	341.88	2.13	-118.03
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC=CC(F)=C3[O-])C2)C1	REAL300029575997	0	43	-2.0	-141.22	360.28	3.80	-137.42
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC=CC([O-])=C3F)C2)C1	REAL300029576101	1	43	-2.0	-140.53	360.53	2.38	-138.15
O=C(C1=CC(=O)N[N-]1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576226	0	40	-2.0	-92.64	337.13	-0.78	-93.42
C[PH](C)([O-])C(=O)C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576232	0	45	-2.0	-108.93	371.74	0.56	-108.37
O=C(C1=CC(=O)N([O-])C=C1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576340	0	43	-2.0	-107.25	357.91	2.93	-104.32
O=C(C1=NNC(=O)[N-]1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576369	0	39	-2.0	-118.36	332.78	-2.22	-120.58
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=C(O)C=CC=C3Cl)C2)C1	REAL300029576373	0	43	-2.0	-116.63	372.28	3.34	-113.29
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=C([O-])C=CC=C3Cl)C2)C1	REAL300029576373	1	43	-2.0	-116.63	372.28	3.34	-113.29
O=C(C1=CC=CN([O-])C1=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576378	0	43	-2.0	-124.62	367.38	3.25	-121.37
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=C(F)C=CC(O)=C3F)C2)C1	REAL300029576408	0	43	-2.0	-101.78	372.57	2.77	-99.01
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=C(F)C=CC([O-])=C3F)C2)C1	REAL300029576408	1	43	-2.0	-101.78	372.57	2.77	-99.01
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC(F)=CC=C3O)C2)C1	REAL300029576570	0	43	-2.0	-137.17	359.97	3.99	-133.18
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC(F)=CC=C3[O-])C2)C1	REAL300029576570	1	43	-2.0	-137.17	359.97	3.99	-133.18
CC1=CC=NC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1O	REAL300029576637	0	45	-2.0	-136.43	370.15	3.53	-132.90
CC1=CC=NC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1[O-]	REAL300029576637	1	45	-2.0	-136.43	370.15	3.53	-132.90
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CN=CC(O)=C3)C2)C1	REAL300029576768	0	42	-2.0	-91.30	346.81	0.57	-90.73
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CN=CC([O-])=C3)C2)C1	REAL300029576768	1	42	-2.0	-91.30	346.81	0.57	-90.73
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC=CC(=S)N3[O-])C2)C1	REAL300029576778	0	43	-2.0	-146.88	366.95	4.90	-141.98
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC=C([O-])C(Cl)=N3)C2)C1	REAL300029576906	0	42	-2.0	-88.20	367.09	1.61	-86.59
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC=C([O-])C=C3Cl)C2)C1	REAL300029576952	1	43	-2.0	-121.69	369.35	2.85	-118.84
N#CC1=CC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C([O-])C=C1N	REAL300029576954	0	46	-2.0	-127.28	387.80	2.03	-125.25
O=C(CC1=NC([O-])=CS1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576964	0	42	-2.0	-117.20	366.86	-0.85	-118.05
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=C([O-])C=CC=C3F)C2)C1	REAL300029576979	0	43	-2.0	-120.84	367.15	2.68	-118.16
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029576981	0	45	-2.0	-101.65	381.28	-0.10	-101.75
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC=C(F)C=C3[O-])C2)C1	REAL300029576983	0	43	-2.0	-134.93	360.43	3.82	-131.11
CC1=CC=C(F)C([O-])=C1C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577023	0	46	-2.0	-141.97	387.15	3.38	-138.59
O=C(CC1SC(=O)[N-]C1=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577098	0	43	-2.0	-107.42	375.24	-1.50	-108.92
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC=C([O-])C(F)=C3F)C2)C1	REAL300029577124	0	43	-2.0	-126.94	366.76	2.48	-124.46
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC=CC(Cl)=C3[O-])C2)C1	REAL300029577131	0	43	-2.0	-134.13	370.08	4.28	-129.85
CC1=CC(=O)C(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300029577162	0	44	-2.0	-121.98	367.22	3.19	-118.79
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577166	0	48	-2.0	-138.91	399.19	3.00	-135.91
O=C(C1=CC=CC(=O)N1[O-])N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577190	0	43	-2.0	-146.72	355.84	3.86	-142.86
N#CC1=CC=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029577223	0	43	-2.0	-108.26	377.11	0.98	-107.28
CN1N=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300029577278	0	42	-2.0	-126.40	355.45	-0.54	-126.94
[N-]=[N+]=NC1=CC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC=C1[O-]	REAL300029577304	0	45	-2.0	-89.45	379.75	0.22	-89.23
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=C(F)C=CC(O)=C3O)C2)C1	REAL300029577340	0	44	-2.0	-110.64	376.94	0.86	-109.78
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=C(F)C=CC(O)=C3[O-])C2)C1	REAL300029577340	1	44	-2.0	-110.64	376.94	0.86	-109.78
N#CC1=CC=C([O-])C(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300029577350	0	44	-2.0	-132.31	374.40	4.33	-127.98
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CN([O-])C(=O)NC3=O)C2)C1	REAL300029577452	0	43	-2.0	-113.30	363.06	1.71	-111.59
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC=C(F)C(O)=C3)C2)C1	REAL300029577511	0	43	-2.0	-104.69	358.22	2.42	-102.27
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC=C(F)C([O-])=C3)C2)C1	REAL300029577511	1	43	-2.0	-104.69	358.22	2.42	-102.27
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC=C(Cl)C=C3O)C2)C1	REAL300029577531	0	43	-2.0	-134.28	370.75	4.27	-130.01
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC=C(Cl)C=C3[O-])C2)C1	REAL300029577531	1	43	-2.0	-134.28	370.75	4.27	-130.01
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300029577609	0	41	-2.0	-122.82	350.87	-3.48	-126.30
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1	REAL300029577609	1	41	-2.0	-116.19	351.47	-2.72	-118.91
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC=C4N=NN([O-])C4=C3)C2)C1	REAL300029577630	0	45	-2.0	-94.58	373.79	1.33	-93.25
O=C(C1=C(Cl)C(=O)[N-]S1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577661	0	39	-2.0	-119.20	353.86	0.27	-118.93
NC1=NC=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029577679	1	43	-2.0	-98.81	364.44	-0.20	-99.01
CC1=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C(=O)C(C#N)=C1	REAL300029577705	0	46	-2.0	-98.88	387.99	2.35	-96.53
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC=C(F)C([O-])=C3F)C2)C1	REAL300029577722	0	43	-2.0	-139.80	366.72	2.44	-137.36
COC1=NC(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC(=O)[N-]1	REAL300029577773	0	45	-2.0	-119.14	377.20	-2.47	-121.61
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC=C4N[N-]N=C4C3=O)C2)C1	REAL300029577774	0	45	-2.0	-106.90	376.17	1.40	-105.50
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=NC=CC(Cl)=C3[O-])C2)C1	REAL300029577784	0	42	-2.0	-131.56	366.03	3.37	-128.19
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC=C(Cl)C([O-])=C3)C2)C1	REAL300029577824	0	43	-2.0	-101.00	368.02	2.91	-98.09
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC=NC=C3[O-])C2)C1	REAL300029577834	0	42	-2.0	-128.81	345.76	2.11	-126.70
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577840	0	39	-2.0	-94.49	332.16	-0.44	-94.93
CC1=C([O-])N=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029577866	1	42	-2.0	-110.97	364.80	-0.35	-111.32
O=C(C(=O)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([O-])C=C1	REAL300029577965	1	45	-2.0	-114.01	375.39	2.52	-111.49
O=C(C1=CN=C(C=N[O-])S1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029577991	0	42	-2.0	-122.90	371.52	0.51	-122.39
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C2)C1	REAL300029578016	1	42	-2.0	-110.44	367.84	2.67	-107.77
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300029578041	0	43	-2.0	-90.09	357.62	-2.07	-92.16
CCN1[N-]C(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029578105	0	46	-2.0	-118.76	382.70	1.89	-116.87
CN1[N-]C(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029578127	0	43	-2.0	-117.54	360.97	0.96	-116.58
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029578139	0	43	-2.0	-95.02	376.47	-0.83	-95.85
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029578287	1	43	-2.0	-103.31	360.16	-0.04	-103.35
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC=C([O-])C(F)=C3)C2)C1	REAL300029578292	1	43	-2.0	-96.79	358.19	2.46	-94.33
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC(F)=C([O-])C(F)=C3)C2)C1	REAL300029578346	0	43	-2.0	-94.69	363.95	2.45	-92.24
O=C(C1=CC(=O)[N-]O1)N1CCCC2(CN(C(=O)C3=CC=NC(Cl)=C3[O-])C2)C1	REAL300029578352	0	42	-2.0	-136.54	362.87	2.61	-133.93
CC1=C(CC(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N(C)[N-]1	REAL300029578367	0	49	-2.0	-135.40	403.89	2.25	-133.15
CC1=CN=C(C(=O)N2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300029578405	1	45	-2.0	-130.32	371.19	3.50	-126.82
O=C(C1=CC([O-])=CS1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029578430	0	40	-2.0	-126.80	345.30	1.37	-125.43
O=C(C1=CN([O-])C(=O)C=C1)N1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029578446	0	43	-2.0	-106.98	357.35	2.90	-104.08
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CCCN(C(=O)C1=CN([O-])C(=O)NC1=O)C2	REAL300029578481	0	43	-2.0	-91.31	364.70	0.51	-90.80
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300029579020	1	47	-2.0	-91.75	389.72	1.96	-89.79
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCN1C(=O)[N-]NC1=O	REAL300029579732	0	48	-2.0	-90.48	397.48	0.15	-90.33
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300029579971	0	46	-2.0	-88.73	385.18	-2.57	-91.30
CC(=O)[N-]C1=NC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300029579972	1	44	-2.0	-91.03	379.02	1.42	-89.61
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300029580151	1	47	-2.0	-95.44	391.97	1.55	-93.89
COC1=C(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300029580273	1	45	-2.0	-97.51	374.64	-1.39	-98.90
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300029580400	0	40	-2.0	-88.77	339.21	-2.52	-91.29
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1C(=O)[N-]NC1=O	REAL300029580528	0	42	-2.0	-126.82	341.11	-0.68	-127.50
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300029581483	0	42	-2.0	-114.60	349.85	2.96	-111.64
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300029581667	0	42	-2.0	-82.96	358.19	-1.63	-84.59
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC(=O)[N-]1	REAL300029581680	1	38	-2.0	-84.46	322.36	-0.30	-84.76
CCN1[N-]C(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029581931	0	45	-2.0	-87.48	371.30	2.31	-85.17
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC(=O)N[N-]1	REAL300029581940	1	42	-2.0	-93.48	350.94	0.01	-93.47
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CC(=S)N1[O-]	REAL300029581965	0	42	-2.0	-141.38	358.69	4.91	-136.47
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1SC(=O)[N-]C1=O	REAL300029581981	0	42	-2.0	-97.53	366.19	-1.49	-99.02
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300029582000	0	41	-2.0	-103.64	346.24	-0.17	-103.81
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=C[N-]N=CC1=O	REAL300029582128	0	40	-2.0	-82.03	339.85	1.11	-80.92
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300029582168	0	44	-2.0	-113.90	366.34	1.47	-112.43
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)N[N-]1	REAL300029582275	0	39	-2.0	-84.20	327.22	-0.34	-84.54
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300029582280	0	44	-2.0	-109.95	348.09	2.76	-107.19
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1=NC(=O)NN1	REAL300029582322	0	44	-2.0	-94.67	365.21	-0.96	-95.63
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1=NC(=O)[N-]N1	REAL300029582322	1	44	-2.0	-94.67	365.21	-0.96	-95.63
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CN([O-])C1=O	REAL300029582331	0	42	-2.0	-117.61	357.87	3.12	-114.49
CSC1=NC=C(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029582352	0	44	-2.0	-104.31	384.00	0.87	-103.44
CSC1=NC=C(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029582352	1	44	-2.0	-104.31	384.00	0.87	-103.44
CC1SC(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300029582378	0	41	-2.0	-90.25	353.50	0.43	-89.82
CC1=C([O-])N=C(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300029582378	1	41	-2.0	-90.25	353.50	0.43	-89.82
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)C=C(Cl)N1	REAL300029582401	0	41	-2.0	-81.21	357.00	3.29	-77.92
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029582401	1	41	-2.0	-81.21	357.00	3.29	-77.92
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300029582426	0	42	-2.0	-96.70	357.40	3.28	-93.42
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300029582491	0	42	-2.0	-138.19	347.57	3.90	-134.29
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=C([O-])N=C(N)S1	REAL300029582676	0	43	-2.0	-146.31	355.59	-0.92	-147.23
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=NC([O-])=CS1	REAL300029582742	0	41	-2.0	-105.44	356.78	-0.72	-106.16
CCC1=NC=C(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029582769	0	46	-2.0	-89.65	380.91	1.43	-88.22
CCC1=NC=C(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029582769	1	46	-2.0	-89.65	380.91	1.43	-88.22
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300029582867	0	38	-2.0	-85.67	342.93	0.36	-85.31
COCC1=NC=C(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029582986	0	47	-2.0	-90.27	393.86	-0.30	-90.57
COCC1=NC=C(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029582986	1	47	-2.0	-90.27	393.86	-0.30	-90.57
CC1=CC(=O)C(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029583093	0	43	-2.0	-88.47	356.36	3.34	-85.13
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNC(=O)[N-]1	REAL300029583112	0	38	-2.0	-87.35	321.93	-1.82	-89.17
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029583138	0	43	-2.0	-93.38	363.14	1.94	-91.44
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029583138	1	43	-2.0	-93.38	363.14	1.94	-91.44
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=C(C=N[O-])S1	REAL300029583286	0	41	-2.0	-97.37	360.06	0.58	-96.79
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300029583539	0	42	-2.0	-86.65	349.57	1.37	-85.28
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CC2=C1C(=O)NC2=O	REAL300029583549	0	45	-2.0	-100.97	372.98	0.87	-100.10
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300029583549	1	45	-2.0	-100.97	372.98	0.87	-100.10
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300029583552	0	42	-2.0	-88.28	367.25	-0.78	-89.06
CC1=C(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=S)NC(=O)N1	REAL300029583553	0	44	-2.0	-103.09	378.32	0.52	-102.57
CC1=C(C(=O)N(C)C[C@@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300029583553	1	44	-2.0	-103.09	378.32	0.52	-102.57
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029583782	0	40	-2.0	-85.46	340.24	-2.68	-88.14
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029583782	1	40	-2.0	-80.42	340.34	-1.91	-82.33
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300029583861	0	44	-2.0	-89.50	377.17	-4.55	-94.05
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300029583861	1	44	-2.0	-83.92	377.10	-4.50	-88.42
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300029584014	0	44	-2.0	-117.80	355.59	0.36	-117.44
CN(C[C@@H]1CCCN1C(=O)C1=NC=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029584271	1	41	-2.0	-118.21	340.97	3.14	-115.07
CN(C[C@@H]1CCCN1C(=O)CCN1C=C[N-]C(=O)C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029584387	1	47	-2.0	-104.33	393.51	1.49	-102.84
CC(=O)[N-]C1=NC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300029584399	1	44	-2.0	-91.74	379.11	1.27	-90.47
CN(C[C@@H]1CCCN1C(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029584427	0	40	-2.0	-105.63	340.55	-2.66	-108.29
COC1=C(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300029584476	1	45	-2.0	-119.84	362.61	-1.00	-120.84
CN(C[C@@H]1CCCN1C(=O)CN1C(=O)[N-]NC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029584636	0	42	-2.0	-109.59	357.66	-1.17	-110.76
CN(C[C@@H]1CCCN1C(=O)CCCN1C(=O)[N-]NC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029585554	0	48	-2.0	-106.59	400.06	0.07	-106.52
CN(C[C@@H]1CCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029585755	1	47	-2.0	-118.69	375.34	2.91	-115.78
CN(C[C@@H]1CCCN1C(=O)CCC1=NNC(=O)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029586527	0	46	-2.0	-88.44	386.64	-2.51	-90.95
CN(C[C@@H]1CCCN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029586535	0	44	-2.0	-118.67	359.27	4.96	-113.71
CN(C[C@@H]1CCCN1C(=O)C1=CC(Cl)=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029586549	1	42	-2.0	-131.52	347.36	4.79	-126.73
CN(C[C@@H]1CCCN1C(=O)C1=CC([O-])=CC(C#N)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029586580	1	43	-2.0	-82.02	351.77	2.61	-79.41
CN(C[C@@H]1CCCN1C(=O)C1=CC=C(N)C(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029586606	0	44	-2.0	-134.81	359.15	3.12	-131.69
CN(C[C@@H]1CCCN1C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029586657	0	44	-2.0	-141.20	356.64	5.89	-135.31
CCC1=NC=C(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029586686	1	46	-2.0	-119.37	366.08	2.92	-116.45
CN(C[C@@H]1CCCN1C(=O)C1=COC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300029586707	1	38	-2.0	-93.19	323.97	-0.66	-93.85
CN(C[C@@H]1CCCN1C(=O)C[N-]C(=O)C(F)(F)F)C(=O)C1=CC(=O)[N-]O1	REAL300029586808	0	41	-2.0	-97.84	361.04	-0.78	-98.62
CN(C[C@@H]1CCCN1C(=O)CC1=C([O-])N=C(N)S1)C(=O)C1=CC(=O)[N-]O1	REAL300029586809	0	43	-2.0	-117.16	372.86	-1.63	-118.79
CN(C[C@@H]1CCCN1C(=O)C1=CC=C([O-])C=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300029586836	1	42	-2.0	-118.69	337.46	3.58	-115.11
CN(C[C@@H]1CCCN1C(=O)C1=CC([O-])=CC(=O)O1)C(=O)C1=CC(=O)[N-]O1	REAL300029586845	0	41	-2.0	-84.04	348.14	1.99	-82.05
CN(C[C@@H]1CCCN1C(=O)C1=CC=C(C#N)C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029586855	1	43	-2.0	-125.65	353.47	3.57	-122.08
CN(C[C@@H]1CCCN1C(=O)C1=CC(Cl)=NC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029586861	0	41	-2.0	-126.11	342.65	3.05	-123.06
CN(C[C@@H]1CCCN1C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029586864	0	44	-2.0	-84.60	379.40	-0.25	-84.85
CN(C[C@@H]1CCCN1C(=O)CN1N=CC(=O)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029586880	0	43	-2.0	-109.88	367.40	-2.27	-112.15
CC1=CC=C([O-])C(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)=N1	REAL300029586966	1	44	-2.0	-119.22	362.57	3.71	-115.51
CN(C[C@@H]1CCCN1C(=O)C1=C[N-]N=CC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029586990	0	40	-2.0	-107.50	320.27	2.04	-105.46
CN(C[C@@H]1CCCN1C(=O)C1=CC=CC(F)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029587001	0	42	-2.0	-139.37	336.90	4.70	-134.67
CN(C[C@@H]1CCCN1C(=O)C1=CC=CC([O-])=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300029587118	1	42	-2.0	-137.68	337.20	3.46	-134.22
CN(C[C@@H]1CCCN1C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029587189	0	44	-2.0	-108.72	359.30	4.93	-103.79
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)N[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300029587252	0	39	-2.0	-98.00	329.04	-0.53	-98.53
CN(C[C@@H]1CCCN1C(=O)C(=O)[PH](C)(C)[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029587259	0	44	-2.0	-99.34	363.47	2.12	-97.22
CN(C[C@@H]1CCCN1C(=O)C(=O)C=C([O-])C1=CC=CC=N1)C(=O)C1=CC(=O)[N-]O1	REAL300029587286	0	47	-2.0	-98.14	394.93	4.25	-93.89
COCC1=NC=C(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029587319	0	47	-2.0	-120.38	379.00	1.16	-119.22
COCC1=NC=C(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029587319	1	47	-2.0	-120.38	379.00	1.16	-119.22
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)N([O-])C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029587372	0	42	-2.0	-135.53	338.73	3.52	-132.01
CN(C[C@@H]1CCCN1C(=O)C1=CC(F)=C(F)C([O-])=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300029587405	0	42	-2.0	-127.66	349.75	3.68	-123.98
CN(C[C@@H]1CCCN1C(=O)C1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300029587407	0	38	-2.0	-101.18	321.88	-1.94	-103.12
CN(C[C@@H]1CCCN1C(=O)C1=CC=CN([O-])C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029587419	0	42	-2.0	-131.33	341.31	3.87	-127.46
CN(C[C@@H]1CCCN1C(=O)C1=CC(F)=CC=C1O)C(=O)C1=CC(=O)[N-]O1	REAL300029587625	0	42	-2.0	-130.35	337.03	4.33	-126.02
CN(C[C@@H]1CCCN1C(=O)C1=CC(F)=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029587625	1	42	-2.0	-130.35	337.03	4.33	-126.02
CC1=CC=NC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)=C1O	REAL300029587710	0	44	-2.0	-118.00	361.29	3.82	-114.18
CC1=CC=NC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300029587710	1	44	-2.0	-118.00	361.29	3.82	-114.18
CN(C[C@@H]1CCCN1C(=O)C1=CC=C(Cl)C(F)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029587766	0	42	-2.0	-134.54	352.98	5.17	-129.37
CN(C[C@@H]1CCCN1C(=O)C1=CN=CC([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029587878	1	41	-2.0	-126.42	327.87	1.53	-124.89
CN(C[C@@H]1CCCN1C(=O)C1=CC=CC(=S)N1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029587890	0	42	-2.0	-135.84	356.25	4.42	-131.42
CN(C[C@@H]1CCCN1C(=O)C1=CC(N)=C(Cl)C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588043	1	44	-2.0	-87.15	363.94	0.77	-86.38
CN(C[C@@H]1CCCN1C(=O)C1=CC=C([O-])C(Cl)=N1)C(=O)C1=CC(=O)[N-]O1	REAL300029588047	0	41	-2.0	-91.07	359.27	2.00	-89.07
CN(C[C@@H]1CCCN1C(=O)C1=CC=C([O-])C=C1Cl)C(=O)C1=CC(=O)[N-]O1	REAL300029588110	1	42	-2.0	-115.02	345.54	4.03	-110.99
CN(C[C@@H]1CCCN1C(=O)C1=CC(C#N)=C(N)C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029588112	0	45	-2.0	-125.81	364.38	2.91	-122.90
CN(C[C@@H]1CCCN1C(=O)CC1=NC([O-])=CS1)C(=O)C1=CC(=O)[N-]O1	REAL300029588122	0	41	-2.0	-104.57	356.96	-0.70	-105.27
CN(C[C@@H]1CCCN1C(=O)CN1[N-]C(=O)C=CC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029588145	0	44	-2.0	-108.76	373.33	-0.15	-108.91
CN(C[C@@H]1CCCN1C(=O)C1=CC=C(F)C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029588148	0	42	-2.0	-132.86	337.16	4.75	-128.11
CN(C[C@@H]1CCCN1C(=O)CC1SC(=O)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029588267	0	42	-2.0	-96.80	364.65	-1.53	-98.33
CN(C[C@@H]1CCCN1C(=O)C1=CC=C([O-])C(F)=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300029588294	0	42	-2.0	-121.22	343.38	3.53	-117.69
CN(C[C@@H]1CCCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029588297	1	43	-2.0	-79.34	340.96	0.75	-78.59
CN(C[C@@H]1CCCN1C(=O)C1=CC=CC(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029588302	0	42	-2.0	-132.35	346.71	5.16	-127.19
CC1=CC(=O)C(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029588335	0	43	-2.0	-105.78	357.74	3.21	-102.57
CN(C[C@@H]1CCCN1C(=O)C=C([O-])C1=CC=C(O)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588340	0	47	-2.0	-101.65	388.45	2.97	-98.68
CN(C[C@@H]1CCCN1C(=O)C1=CC=CC(=O)N1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029588368	0	42	-2.0	-135.56	345.15	3.84	-131.72
CN(C[C@@H]1CCCN1C(=O)C1=CC=C(C#N)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029588404	0	42	-2.0	-111.08	351.19	2.15	-108.93
CN(C[C@@H]1CCCN1C(=O)COC1=NC(=O)[N-]C(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL300029588405	0	44	-2.0	-100.48	378.79	-4.56	-105.04
CN(C[C@@H]1CCCN1C(=O)COC1=NC(=O)NC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300029588405	1	44	-2.0	-83.63	377.26	-4.42	-88.05
CN(C[C@@H]1CCCN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029588434	0	44	-2.0	-82.65	372.00	4.02	-78.63
CN(C[C@@H]1CCCN1C(=O)C1=NN(C)C(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300029588474	0	41	-2.0	-105.88	346.52	-0.38	-106.26
CN(C[C@@H]1CCCN1C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588508	0	44	-2.0	-113.73	361.10	1.03	-112.70
CN(C[C@@H]1CCCN1C(=O)C1=CC(C#N)=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029588550	0	43	-2.0	-125.17	351.46	4.70	-120.47
CN(C[C@@H]1CCCN1C(=O)C1=CN([O-])C(=O)NC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029588671	0	42	-2.0	-113.52	341.98	1.63	-111.89
CN(C[C@@H]1CCCN1C(=O)C1=CC(Cl)=C(F)C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029588708	0	42	-2.0	-125.72	353.17	5.17	-120.55
CN(C[C@@H]1CCCN1C(=O)C1=CC=C(F)C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588735	1	42	-2.0	-113.48	338.96	3.03	-110.45
CN(C[C@@H]1CCCN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588743	1	47	-2.0	-146.05	371.41	5.11	-140.94
CN(C[C@@H]1CCCN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029588747	0	44	-2.0	-91.24	355.16	4.07	-87.17
CN(C[C@@H]1CCCN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029588750	0	44	-2.0	-121.24	358.79	4.94	-116.30
CN(C[C@@H]1CCCN1C(=O)C1=CC=C(Cl)C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029588761	1	42	-2.0	-132.57	347.49	5.20	-127.37
CN(C[C@@H]1CCCN1C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588775	0	44	-2.0	-109.23	360.87	3.85	-105.38
CN(C[C@@H]1CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL300029588847	0	40	-2.0	-93.75	342.11	-3.02	-96.77
CN(C[C@@H]1CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300029588847	1	40	-2.0	-80.41	340.45	-2.06	-82.47
CN(C[C@@H]1CCCN1C(=O)C1=CC=C2N=NN([O-])C2=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029588874	0	44	-2.0	-132.32	355.50	2.20	-130.12
CN(C[C@@H]1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)C1=CC(=O)[N-]O1	REAL300029588911	1	47	-2.0	-103.48	385.01	5.56	-97.92
CN(C[C@@H]1CCCN1C(=O)C1=C(Cl)C(=O)[N-]S1)C(=O)C1=CC(=O)[N-]O1	REAL300029588912	0	38	-2.0	-98.10	343.20	0.22	-97.88
CN(C[C@@H]1CCCN1C(=O)C1=CN=C(N)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029588931	1	42	-2.0	-119.06	339.39	1.35	-117.71
CC1=C(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300029588962	0	45	-2.0	-88.59	378.91	2.68	-85.91
CN(C[C@@H]1CCCN1C(=O)C1=CC=C(F)C([O-])=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300029588982	0	42	-2.0	-136.18	343.35	3.51	-132.67
CN(C[C@@H]1CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029589039	0	42	-2.0	-107.80	351.09	3.16	-104.64
CN(C[C@@H]1CCCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029589043	1	43	-2.0	-109.75	352.92	2.83	-106.92
COC1=NC(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300029589049	0	44	-2.0	-102.96	367.67	-2.01	-104.97
CN(C[C@@H]1CCCN1C(=O)C1=CC=C2N[N-]N=C2C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300029589051	0	44	-2.0	-114.14	355.45	2.73	-111.41
CN(C[C@@H]1CCCN1C(=O)C1=NC=CC(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029589059	0	41	-2.0	-112.33	355.68	3.73	-108.60
CN(C[C@@H]1CCCN1C(=O)CC1=CC=C([O-])C(Cl)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029589065	1	45	-2.0	-112.12	389.17	4.09	-108.03
CN(C[C@@H]1CCCN1C(=O)C1=CC=C(Cl)C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029589098	0	42	-2.0	-110.62	348.75	3.51	-107.11
CN(C[C@@H]1CCCN1C(=O)C1=CC=NC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029589108	0	41	-2.0	-133.08	325.76	2.62	-130.46
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)[N-]O1	REAL300029589115	0	38	-2.0	-99.72	324.03	-0.37	-100.09
CC1=C([O-])N=C(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)S1	REAL300029589149	1	41	-2.0	-98.32	355.96	0.08	-98.24
CN(C[C@@H]1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029589217	1	48	-2.0	-138.00	376.25	6.77	-131.23
CN(C[C@@H]1CCCN1C(=O)C1=CC2=CC=CC=C2C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029589225	1	48	-2.0	-144.62	376.70	6.86	-137.76
CN(C[C@@H]1CCCN1C(=O)C(=O)C1=CC=C([O-])C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029589268	1	44	-2.0	-86.34	365.61	2.79	-83.55
CN(C[C@@H]1CCCN1C(=O)C1=CN=C(C=N[O-])S1)C(=O)C1=CC(=O)[N-]O1	REAL300029589298	0	41	-2.0	-123.26	349.77	1.08	-122.18
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300029589328	1	41	-2.0	-94.89	358.94	2.99	-91.90
CSC1=NC=C(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029589352	1	44	-2.0	-120.15	367.34	2.51	-117.64
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)NC([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029589360	0	42	-2.0	-83.77	335.48	-2.18	-85.95
CCN1[N-]C(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029589437	0	45	-2.0	-87.77	371.85	2.27	-85.50
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)N(C)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300029589455	0	42	-2.0	-101.21	351.79	1.17	-100.04
CN(C[C@@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300029589470	0	42	-2.0	-100.53	368.86	-0.87	-101.40
CN(C[C@@H]1CCCN1C(=O)CC1=CC(=O)N[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300029589619	1	42	-2.0	-111.46	352.55	-0.08	-111.54
CN(C[C@@H]1CCCN1C(=O)C1=CC=C([O-])C(F)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029589626	1	42	-2.0	-116.56	338.93	3.06	-113.50
CN(C[C@@H]1CCCN1C(=O)C1=CC(F)=C([O-])C(F)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029589679	0	42	-2.0	-89.73	341.08	2.05	-87.68
CN(C[C@@H]1CCCN1C(=O)C1=CC=NC(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029589684	0	41	-2.0	-130.29	341.97	3.06	-127.23
CC1=C(CC(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300029589701	0	48	-2.0	-114.41	394.53	2.41	-112.00
CC1=CN=C(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300029589747	1	44	-2.0	-99.73	361.27	3.88	-95.85
CN(C[C@@H]1CCCN1C(=O)C1=CC([O-])=CS1)C(=O)C1=CC(=O)[N-]O1	REAL300029589778	0	39	-2.0	-132.78	325.36	2.08	-130.70
CN(C[C@@H]1CCCN1C(=O)C1=CN([O-])C(=O)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029589798	0	42	-2.0	-136.87	338.32	3.52	-133.35
CN(C[C@@H]1CCCN1C(=O)C1=CC(F)=CC(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300029589804	0	42	-2.0	-124.67	353.21	5.29	-119.38
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300029589848	0	42	-2.0	-87.10	355.96	0.59	-86.51
CN(C[C@@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029589883	1	43	-2.0	-83.53	372.67	1.25	-82.28
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)C1=COC(=O)[N-]1	REAL300029590570	1	43	-2.0	-87.95	357.17	-3.54	-91.49
O=C(CC1=CC(=O)N[N-]1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300029590641	1	47	-2.0	-104.28	384.57	-2.12	-106.40
CN1N=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)[N-]C1=O	REAL300029590647	0	46	-2.0	-98.05	381.14	-2.53	-100.58
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)C1=C[N-]N=CC1=O	REAL300029590676	0	45	-2.0	-84.09	368.12	-0.61	-84.70
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)C1=CC(=O)N[N-]1	REAL300029590707	0	44	-2.0	-91.41	363.89	-2.76	-94.17
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)C1=NC(=O)N[N-]1	REAL300029590859	0	43	-2.0	-90.46	358.49	-4.05	-94.51
CN1[N-]C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)=CC1=O	REAL300029590930	0	47	-2.0	-93.12	384.74	-0.84	-93.96
O=C(NC1CN(C(=O)C2=NC=CC=C2[O-])CC12CCOCC2)C1=CC(=O)[N-]O1	REAL300029591271	1	46	-2.0	-100.69	375.20	1.22	-99.47
O=C(NC1CN(C(=O)C2=COC(=O)[N-]2)CC12CCOCC2)C1=CC(=O)[N-]O1	REAL300029591767	1	43	-2.0	-94.26	358.70	-2.73	-96.99
O=C(NC1CN(C(=O)C2=C[N-]N=CC2=O)CC12CCOCC2)C1=CC(=O)[N-]O1	REAL300029591841	0	45	-2.0	-87.49	377.18	-0.81	-88.30
O=C(NC1CN(C(=O)C2=CC(=O)N[N-]2)CC12CCOCC2)C1=CC(=O)[N-]O1	REAL300029591902	0	44	-2.0	-90.37	363.55	-2.49	-92.86
O=C(NC1CN(C(=O)C2=NC(=O)N[N-]2)CC12CCOCC2)C1=CC(=O)[N-]O1	REAL300029591936	0	43	-2.0	-93.12	358.34	-3.33	-96.45
O=C(NC1CN(C(=O)C2=CN=CC([O-])=C2)CC12CCOCC2)C1=CC(=O)[N-]O1	REAL300029592046	1	46	-2.0	-94.22	372.71	-1.37	-95.59
CN1N=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)[N-]C1=O	REAL300029592157	0	46	-2.0	-95.74	381.06	-2.31	-98.05
O=C(NC1CN(C(=O)C2=CC=NC=C2[O-])CC12CCOCC2)C1=CC(=O)[N-]O1	REAL300029592290	0	46	-2.0	-94.72	375.94	-0.46	-95.18
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CCOCC2)C1=CC(=O)[N-]O1	REAL300029592293	0	43	-2.0	-93.21	356.74	-2.06	-95.27
CN1[N-]C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)=CC1=O	REAL300029592382	0	47	-2.0	-92.55	386.29	-0.78	-93.33
O=C(CC1=CC(=O)N[N-]1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300029592430	1	47	-2.0	-98.88	386.15	-2.04	-100.92
O=C(NC1CN(C(=O)C2=CC([O-])=CS2)CC12CCOCC2)C1=CC(=O)[N-]O1	REAL300029592474	0	44	-2.0	-97.83	370.15	-0.50	-98.33
O=C(C1=COC(=O)[N-]1)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029592969	1	46	-2.0	-88.60	366.07	0.53	-88.07
O=C(C1=CC(=O)[N-]O1)N1CC23CN(C(=O)C4=C[N-]N=CC4=O)CC2(C1)CCCC3	REAL300029593045	0	48	-2.0	-90.93	385.51	2.31	-88.62
O=C(C1=CC(=O)N[N-]1)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593070	0	47	-2.0	-89.84	370.93	0.65	-89.19
O=C(C1=CC(=O)[N-]O1)N1CC23CN(C(=O)C4=NC(=O)N[N-]4)CC2(C1)CCCC3	REAL300029593169	0	46	-2.0	-92.50	365.79	-0.11	-92.61
O=C(C1=CC(=O)[N-]O1)N1CC23CN(C(=O)C4=NC=CC=C4[O-])CC2(C1)CCCC3	REAL300029593470	1	49	-2.0	-107.71	383.40	4.45	-103.26
O=C(C1=COC(=O)[N-]1)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593768	1	46	-2.0	-88.60	366.07	0.53	-88.07
O=C(C1=CC(=O)[N-]O1)N1CC23CN(C(=O)C4=C[N-]N=CC4=O)CC2(C1)CCCC3	REAL300029593809	0	48	-2.0	-90.93	385.51	2.31	-88.62
O=C(C1=CC(=O)N[N-]1)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029593845	0	47	-2.0	-89.84	370.93	0.65	-89.19
O=C(C1=CC(=O)[N-]O1)N1CC23CN(C(=O)C4=NC(=O)N[N-]4)CC2(C1)CCCC3	REAL300029593863	0	46	-2.0	-92.50	365.79	-0.11	-92.61
O=C(C1=CC(=O)[N-]O1)N1CC23CN(C(=O)C4=CN=CC([O-])=C4)CC2(C1)CCCC3	REAL300029593927	1	49	-2.0	-101.93	382.08	1.74	-100.19
O=C(C1=CC(=O)[N-]O1)N1CC23CN(C(=O)C4=CC=NC=C4[O-])CC2(C1)CCCC3	REAL300029594065	0	49	-2.0	-96.98	383.40	3.13	-93.85
O=C(C1=CC(=O)[N-]O1)N1CC23CN(C(=O)C4=CC(=O)[N-]O4)CC2(C1)CCCC3	REAL300029594067	0	46	-2.0	-97.32	366.50	0.88	-96.44
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1CCO	REAL300029595404	0	41	-2.0	-89.65	341.77	-6.58	-96.23
O=C(CN1C(=O)[N-]NC1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029595490	0	43	-2.0	-91.03	358.09	-4.90	-95.93
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1CCO	REAL300029596104	0	43	-2.0	-98.67	359.64	-0.56	-99.23
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1CCO	REAL300029596220	0	43	-2.0	-83.00	359.91	-5.47	-88.47
O=C(C1=COC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596231	1	39	-2.0	-89.42	323.79	-4.15	-93.57
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)=CC1=O	REAL300029596403	0	46	-2.0	-88.46	373.04	-1.63	-90.09
O=C(CC1=CC(=O)N[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596411	1	43	-2.0	-93.32	353.08	-3.82	-97.14
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CC(=S)N2[O-])CC1CCO	REAL300029596429	0	43	-2.0	-114.27	360.30	0.95	-113.32
O=C(CC1SC(=O)[N-]C1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596438	0	43	-2.0	-85.47	366.66	-5.28	-90.75
CN1N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)[N-]C1=O	REAL300029596454	0	42	-2.0	-91.26	346.36	-4.02	-95.28
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C[N-]N=CC2=O)CC1CCO	REAL300029596544	0	41	-2.0	-83.34	335.01	-2.67	-86.01
O=C(C1=CC(=O)N[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596650	0	40	-2.0	-86.07	328.65	-4.26	-90.33
C[PH](C)([O-])C(=O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596655	0	45	-2.0	-84.66	362.24	-3.29	-87.95
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1CCO	REAL300029596687	0	43	-2.0	-104.65	355.70	-0.76	-105.41
CC1SC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)=NC1=O	REAL300029596715	0	42	-2.0	-97.42	355.48	-3.44	-100.86
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)S1	REAL300029596715	1	42	-2.0	-97.42	355.48	-3.44	-100.86
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(=O)C=C(Cl)N2)CC1CCO	REAL300029596729	0	42	-2.0	-83.36	360.64	-0.82	-84.18
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1CCO	REAL300029596729	1	42	-2.0	-83.36	360.64	-0.82	-84.18
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1CCO	REAL300029596746	0	43	-2.0	-98.46	359.83	-0.57	-99.03
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1CCO	REAL300029596781	0	43	-2.0	-112.01	349.18	-0.01	-112.02
O=C(C[N-]C(=O)C(F)(F)F)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596907	0	42	-2.0	-85.59	362.54	-4.62	-90.21
NC1=NC([O-])=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)S1	REAL300029596908	0	44	-2.0	-104.25	373.73	-5.41	-109.66
O=C(CC1=NC([O-])=CS1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596956	0	42	-2.0	-103.98	358.93	-4.54	-108.52
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)C(=O)[N-]1	REAL300029596974	1	47	-2.0	-89.60	380.32	-2.51	-92.11
O=C(CN1N=CC(=O)[N-]C1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029596983	0	44	-2.0	-95.17	368.43	-6.02	-101.19
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)=N[N-]1	REAL300029597194	0	44	-2.0	-89.92	358.81	-0.72	-90.64
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NNC(=O)[N-]2)CC1CCO	REAL300029597209	0	39	-2.0	-88.91	323.20	-5.73	-94.64
O=C(C1=CN=C(C=N[O-])S1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597324	0	42	-2.0	-99.56	364.43	-3.23	-102.79
COC1=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)=CC(=O)[N-]1	REAL300029597338	0	45	-2.0	-89.13	371.10	-5.85	-94.98
CN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)C(CCO)C2)=CC1=O	REAL300029597494	0	43	-2.0	-87.93	351.23	-2.56	-90.49
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597501	0	43	-2.0	-91.04	369.39	-4.57	-95.61
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1CCO	REAL300029597661	0	41	-2.0	-92.37	342.53	-6.75	-99.12
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1CCO	REAL300029597661	1	41	-2.0	-85.11	344.93	-6.59	-91.70
O=C(CN1[N-]C(=O)C=CC1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029597806	0	45	-2.0	-91.96	374.19	-3.93	-95.89
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NC=CC=C2[O-])C(CCO)C1	REAL300029598059	1	42	-2.0	-97.71	340.98	-0.76	-98.47
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C(CCO)C1	REAL300029598174	0	41	-2.0	-90.05	341.37	-6.61	-96.66
O=C(CN1C(=O)[N-]NC1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029598317	0	43	-2.0	-92.12	358.13	-4.88	-97.00
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C(CCO)C1	REAL300029599479	1	43	-2.0	-94.37	361.57	0.40	-93.97
N#CC1=CC([O-])=CC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)=C1	REAL300029599502	1	44	-2.0	-85.94	365.08	-1.00	-86.94
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C(=O)[N-]1	REAL300029599571	1	47	-2.0	-90.42	383.32	-1.61	-92.03
O=C(C1=COC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599587	1	39	-2.0	-88.53	323.96	-4.04	-92.57
O=C(C[N-]C(=O)C(F)(F)F)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599653	0	42	-2.0	-86.08	362.10	-4.60	-90.68
NC1=NC([O-])=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)S1	REAL300029599654	0	44	-2.0	-104.39	373.87	-5.37	-109.76
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C([O-])C=C2F)C(CCO)C1	REAL300029599674	1	43	-2.0	-89.77	351.52	-1.23	-91.00
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C(CCO)C1	REAL300029599680	0	42	-2.0	-88.58	349.98	-1.93	-90.51
N#CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C=C1[O-]	REAL300029599686	1	44	-2.0	-90.90	366.74	-0.90	-91.80
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C(CCO)C1	REAL300029599689	0	42	-2.0	-90.58	356.84	-1.50	-92.08
O=C(CN1N=CC(=O)[N-]C1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599703	0	44	-2.0	-95.60	368.03	-6.04	-101.64
CC1=CC=C([O-])C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)=N1	REAL300029599759	1	45	-2.0	-98.32	363.34	-0.01	-98.33
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=C[N-]N=CC2=O)C(CCO)C1	REAL300029599776	0	41	-2.0	-82.86	342.41	-2.02	-84.88
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CC(F)=C2[O-])C(CCO)C1	REAL300029599783	0	43	-2.0	-101.30	351.07	-0.04	-101.34
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CC([O-])=C2F)C(CCO)C1	REAL300029599861	1	43	-2.0	-98.54	351.38	-1.24	-99.78
O=C(C1=CC(=O)N[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599948	0	40	-2.0	-86.38	329.30	-4.17	-90.55
C[PH](C)([O-])C(=O)C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029599953	0	45	-2.0	-86.21	363.17	-3.22	-89.43
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C(CCO)C1	REAL300029600033	0	43	-2.0	-101.29	352.54	-0.77	-102.06
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NC(=O)N[N-]2)C(CCO)C1	REAL300029600058	0	39	-2.0	-88.35	323.56	-4.86	-93.21
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CN([O-])C2=O)C(CCO)C1	REAL300029600063	0	43	-2.0	-104.64	358.54	0.09	-104.55
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(F)=CC=C2O)C(CCO)C1	REAL300029600203	0	43	-2.0	-94.06	351.26	-0.03	-94.09
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(F)=CC=C2[O-])C(CCO)C1	REAL300029600203	1	43	-2.0	-94.06	351.26	-0.03	-94.09
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)=C1O	REAL300029600262	0	45	-2.0	-97.79	362.09	0.08	-97.71
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)=C1[O-]	REAL300029600262	1	45	-2.0	-97.79	362.09	0.08	-97.71
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN=CC(O)=C2)C(CCO)C1	REAL300029600357	0	42	-2.0	-89.55	339.19	-3.21	-92.76
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN=CC([O-])=C2)C(CCO)C1	REAL300029600357	1	42	-2.0	-89.55	339.19	-3.21	-92.76
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CC(=S)N2[O-])C(CCO)C1	REAL300029600367	0	43	-2.0	-116.28	365.71	0.61	-115.67
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C(CCO)C1	REAL300029600467	0	42	-2.0	-85.85	359.94	-1.72	-87.57
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C(O)C=C2Cl)C(CCO)C1	REAL300029600506	0	43	-2.0	-88.91	359.78	-0.78	-89.69
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C([O-])C=C2Cl)C(CCO)C1	REAL300029600506	1	43	-2.0	-88.91	359.78	-0.78	-89.69
O=C(CC1=NC([O-])=CS1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600513	0	42	-2.0	-104.21	358.53	-4.52	-108.73
O=C(CN1[N-]C(=O)C=CC1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600527	0	45	-2.0	-92.67	374.55	-3.82	-96.49
O=C(CC1SC(=O)[N-]C1=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029600610	0	43	-2.0	-85.94	366.28	-5.27	-91.21
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C(CCO)C1	REAL300029600630	0	43	-2.0	-91.06	357.61	-1.17	-92.23
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C(CCO)C1	REAL300029600636	0	43	-2.0	-96.47	360.88	0.45	-96.02
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)=N[N-]1	REAL300029600660	0	44	-2.0	-90.62	358.50	-0.58	-91.20
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=CC(=O)N2[O-])C(CCO)C1	REAL300029600679	0	43	-2.0	-113.41	354.61	-0.18	-113.59
N#CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C(=O)[N-]1	REAL300029600700	0	43	-2.0	-84.88	352.09	-3.26	-88.14
CN1N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)[N-]C1=O	REAL300029600743	0	42	-2.0	-91.69	346.43	-4.05	-95.74
N#CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C([O-])=C1	REAL300029600786	0	44	-2.0	-93.63	365.65	0.29	-93.34
N#CC1=CC=C([O-])C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)=C1	REAL300029600793	0	44	-2.0	-91.99	365.71	0.30	-91.69
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C(CCO)C1	REAL300029600871	0	43	-2.0	-88.68	363.64	-2.44	-91.12
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C(CCO)C1	REAL300029600915	1	43	-2.0	-94.64	352.80	-1.26	-95.90
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C(CCO)C1	REAL300029600930	1	43	-2.0	-95.75	361.57	0.42	-95.33
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C(CCO)C1	REAL300029600988	0	41	-2.0	-84.54	343.51	-5.74	-90.28
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C(CCO)C1	REAL300029600988	1	41	-2.0	-84.54	343.51	-5.74	-90.28
NC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C(=O)N1	REAL300029601034	0	43	-2.0	-91.03	356.65	-3.25	-94.28
NC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C(=O)[N-]1	REAL300029601034	1	43	-2.0	-91.03	356.65	-3.25	-94.28
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C(CCO)C1	REAL300029601112	0	42	-2.0	-93.97	357.96	-0.08	-94.05
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(=O)[N-]O2)C(CCO)C1	REAL300029601156	0	39	-2.0	-91.05	323.77	-4.18	-95.23
CC1SC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)=NC1=O	REAL300029601175	0	42	-2.0	-96.80	355.80	-3.44	-100.24
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)S1	REAL300029601175	1	42	-2.0	-96.80	355.80	-3.44	-100.24
O=C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)C1=CC=C(O)C=C1	REAL300029601259	0	45	-2.0	-87.28	366.28	-1.28	-88.56
O=C(C(=O)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO)C1=CC=C([O-])C=C1	REAL300029601259	1	45	-2.0	-87.28	366.28	-1.28	-88.56
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN=C(C=N[O-])S2)C(CCO)C1	REAL300029601276	0	42	-2.0	-98.56	363.97	-3.27	-101.83
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(=O)C=C(Cl)N2)C(CCO)C1	REAL300029601294	0	42	-2.0	-83.01	359.83	-0.57	-83.58
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C(CCO)C1	REAL300029601294	1	42	-2.0	-83.01	359.83	-0.57	-83.58
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C(CCO)C1	REAL300029601312	0	43	-2.0	-86.65	352.64	-5.72	-92.37
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)=CC1=O	REAL300029601369	0	46	-2.0	-89.08	373.31	-1.61	-90.69
CN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)=CC1=O	REAL300029601383	0	43	-2.0	-88.20	351.37	-2.51	-90.71
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601392	0	43	-2.0	-90.20	369.00	-4.56	-94.76
O=C(CC1=CC(=O)NN1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601496	0	43	-2.0	-93.89	352.69	-3.81	-97.70
O=C(CC1=CC(=O)N[N-]1)N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CCO	REAL300029601496	1	43	-2.0	-93.89	352.69	-3.81	-97.70
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C(O)C(F)=C2)C(CCO)C1	REAL300029601501	0	43	-2.0	-91.71	352.77	-1.21	-92.92
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C(CCO)C1	REAL300029601501	1	43	-2.0	-91.71	352.77	-1.21	-92.92
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C(CCO)C1	REAL300029601538	0	43	-2.0	-91.71	361.05	-1.09	-92.80
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C(CCO)C1	REAL300029601542	0	42	-2.0	-93.93	356.17	-1.49	-95.42
CC1=CN=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C(O)=C1	REAL300029601591	0	45	-2.0	-98.96	362.44	-0.13	-99.09
CC1=CN=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2CCO)C([O-])=C1	REAL300029601591	1	45	-2.0	-98.96	362.44	-0.13	-99.09
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CC([O-])=CS2)C(CCO)C1	REAL300029601611	0	40	-2.0	-95.20	338.27	-2.35	-97.55
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C(CCO)C1	REAL300029601624	0	43	-2.0	-99.69	349.85	-0.87	-100.56
O=C(C1=CC(=O)[N-]O1)N1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1CCO	REAL300029601649	0	43	-2.0	-87.17	355.92	-3.31	-90.48
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C2)C1	REAL300029602131	1	48	-2.0	-104.34	401.80	3.23	-101.11
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300029603098	0	41	-2.0	-95.18	358.43	-2.56	-97.74
O=C(CN1C(=O)[N-]NC1=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603200	0	43	-2.0	-95.62	374.92	-1.04	-96.66
O=C(C1=CN([O-])C(=O)C=C1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029603907	0	43	-2.0	-106.18	367.23	3.09	-103.09
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300029604038	0	43	-2.0	-90.46	367.77	-1.82	-92.28
O=C(C1=COC(=O)[N-]1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604049	1	39	-2.0	-91.88	342.13	-1.07	-92.95
CCN1[N-]C(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029604242	0	46	-2.0	-93.98	391.65	2.14	-91.84
O=C(CC1=CC(=O)N[N-]1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604250	1	43	-2.0	-99.73	369.50	-0.04	-99.77
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3=CC=CC(=S)N3[O-])C2)C1	REAL300029604270	0	43	-2.0	-128.19	376.02	5.12	-123.07
O=C(CC1SC(=O)[N-]C1=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604281	0	43	-2.0	-88.62	383.69	-1.39	-90.01
CN1N=C(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300029604298	0	42	-2.0	-97.27	364.49	-0.28	-97.55
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300029604395	0	41	-2.0	-93.38	349.98	2.20	-91.18
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3=CC=C4N=NN([O-])C4=C3)C2)C1	REAL300029604431	0	45	-2.0	-97.71	383.82	1.48	-96.23
O=C(C1=CC(=O)N[N-]1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604516	0	40	-2.0	-90.82	347.11	-0.49	-91.31
C[PH](C)([O-])C(=O)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604521	0	45	-2.0	-90.25	379.60	0.57	-89.68
O=C(CCC1=NC(=O)NN1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604553	0	45	-2.0	-99.23	384.89	-0.88	-100.11
O=C(CCC1=NC(=O)[N-]N1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604553	1	45	-2.0	-99.23	384.89	-0.88	-100.11
O=C(C1=CC=CN([O-])C1=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604558	0	43	-2.0	-115.30	375.60	3.34	-111.96
CC1SC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NC1=O	REAL300029604593	0	42	-2.0	-94.85	373.53	-0.27	-95.12
CC1=C([O-])N=C(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300029604593	1	42	-2.0	-94.85	373.53	-0.27	-95.12
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3=CC(=O)C=C(Cl)N3)C2)C1	REAL300029604607	0	42	-2.0	-87.37	376.79	2.93	-84.44
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C2)C1	REAL300029604607	1	42	-2.0	-87.37	376.79	2.93	-84.44
O=C(C1=CC(=O)N([O-])C=C1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604627	0	43	-2.0	-107.60	367.72	3.04	-104.56
O=C(C1=CC=CC(=O)N1[O-])N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604670	0	43	-2.0	-125.03	364.90	4.08	-120.95
NC1=NC([O-])=C(CC(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300029604809	0	44	-2.0	-109.90	390.15	-1.62	-111.52
O=C(CC1=NC([O-])=CS1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604861	0	42	-2.0	-110.83	375.48	-0.64	-111.47
CCC1=NC=C(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300029604882	1	47	-2.0	-103.03	390.73	2.64	-100.39
O=C(CN1N=CC(=O)[N-]C1=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604893	0	44	-2.0	-101.90	384.98	-2.10	-104.00
O=C(C1=C(Cl)C(=O)[N-]S1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029604958	0	39	-2.0	-91.54	362.47	0.48	-91.06
CC1=CC(=O)C(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N[N-]1	REAL300029605133	0	44	-2.0	-94.50	375.57	3.31	-91.19
O=C(C1=NC(=O)N[N-]1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605149	0	39	-2.0	-89.22	341.39	-1.67	-90.89
O=C(C1=CN=C(C=N[O-])S1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605283	0	42	-2.0	-102.78	380.13	0.72	-102.06
COC1=NC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC(=O)[N-]1	REAL300029605299	0	45	-2.0	-94.62	386.11	-2.21	-96.83
CN1[N-]C(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029605478	0	43	-2.0	-93.24	369.84	1.21	-92.03
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605486	0	43	-2.0	-93.67	386.22	-0.78	-94.45
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300029605661	0	41	-2.0	-94.75	359.97	-3.24	-97.99
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1	REAL300029605661	1	41	-2.0	-88.43	360.51	-2.46	-90.89
O=C(CN1[N-]C(=O)C=CC1=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029605830	0	45	-2.0	-96.63	391.18	0.03	-96.60
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300029606084	1	42	-2.0	-107.10	358.14	3.32	-103.78
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300029606219	0	41	-2.0	-95.19	358.14	-2.44	-97.63
O=C(CN1C(=O)[N-]NC1=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029606412	0	43	-2.0	-96.42	375.83	-0.97	-97.39
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C2)C1	REAL300029607376	1	48	-2.0	-99.88	411.87	2.22	-97.66
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC(Cl)=CC=C3[O-])C2)C1	REAL300029608064	1	43	-2.0	-102.81	380.53	4.16	-98.65
N#CC1=CC([O-])=CC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029608091	1	44	-2.0	-96.78	381.88	2.79	-93.99
CCC1=NC=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300029608190	1	47	-2.0	-98.23	401.04	1.57	-96.66
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=COC(=O)[N-]3)C2)C1	REAL300029608210	1	39	-2.0	-90.45	342.15	-0.60	-91.05
O=C(C[N-]C(=O)C(F)(F)F)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608287	0	42	-2.0	-89.26	380.45	-0.74	-90.00
NC1=NC([O-])=C(CC(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300029608288	0	44	-2.0	-112.18	391.54	-1.45	-113.63
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=C(F)C=C([O-])C=C3F)C2)C1	REAL300029608298	0	43	-2.0	-89.86	382.78	2.93	-86.93
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=C([O-])C=C3F)C2)C1	REAL300029608314	1	43	-2.0	-93.24	370.76	2.69	-90.55
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC([O-])=CC(=O)O3)C2)C1	REAL300029608320	0	42	-2.0	-90.23	366.64	2.05	-88.18
N#CC1=CC=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1[O-]	REAL300029608329	1	44	-2.0	-90.02	381.34	2.92	-87.10
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC(Cl)=NC=C3[O-])C2)C1	REAL300029608333	0	42	-2.0	-98.74	375.91	2.22	-96.52
N#CC1=CC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C(N)[N-]C1=O	REAL300029608339	0	45	-2.0	-91.51	398.64	-0.04	-91.55
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608356	0	44	-2.0	-100.24	386.23	-2.16	-102.40
CC1=CC=C([O-])C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300029608427	1	45	-2.0	-108.37	380.26	3.92	-104.45
O=C(CCC1=NNC(=O)[N-]1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608429	0	45	-2.0	-92.91	386.23	-0.41	-93.32
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300029608448	0	41	-2.0	-92.06	360.65	1.30	-90.76
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=CC(F)=C3[O-])C2)C1	REAL300029608459	0	43	-2.0	-111.86	370.28	3.55	-108.31
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=CC([O-])=C3F)C2)C1	REAL300029608563	1	43	-2.0	-107.40	370.54	2.66	-104.74
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC(=O)N[N-]3)C2)C1	REAL300029608688	0	40	-2.0	-92.11	347.03	-0.36	-92.47
C[PH](C)([O-])C(=O)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029608694	0	45	-2.0	-89.31	379.41	0.76	-88.55
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC(=O)N([O-])C=C3)C2)C1	REAL300029608802	0	43	-2.0	-102.88	377.33	3.40	-99.48
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=NNC(=O)[N-]3)C2)C1	REAL300029608831	0	39	-2.0	-93.81	341.79	-1.84	-95.65
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=C(O)C=CC=C3Cl)C2)C1	REAL300029608835	0	43	-2.0	-101.26	386.46	3.36	-97.90
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=C([O-])C=CC=C3Cl)C2)C1	REAL300029608835	1	43	-2.0	-101.26	386.46	3.36	-97.90
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=CN([O-])C3=O)C2)C1	REAL300029608840	0	43	-2.0	-114.15	376.23	3.35	-110.80
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=C(F)C=CC([O-])=C3F)C2)C1	REAL300029608870	1	43	-2.0	-95.16	383.31	2.93	-92.23
NC1=CC(=O)[N-]C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300029608968	0	43	-2.0	-99.24	370.91	-0.67	-99.91
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=C([O-])C(Cl)=C3)C2)C1	REAL300029609027	0	43	-2.0	-92.43	377.16	3.06	-89.37
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC(F)=CC=C3[O-])C2)C1	REAL300029609032	1	43	-2.0	-102.14	370.21	3.71	-98.43
CC1=CC=NC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1[O-]	REAL300029609099	1	45	-2.0	-107.23	378.98	4.04	-103.19
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CN=CC([O-])=C3)C2)C1	REAL300029609230	1	42	-2.0	-91.39	356.01	0.72	-90.67
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=CC(=S)N3[O-])C2)C1	REAL300029609240	0	43	-2.0	-120.38	387.36	3.82	-116.56
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=C([O-])C(Cl)=N3)C2)C1	REAL300029609368	0	42	-2.0	-87.50	376.99	2.16	-85.34
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=C([O-])C=C3Cl)C2)C1	REAL300029609414	1	43	-2.0	-91.95	379.49	3.13	-88.82
N#CC1=CC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C([O-])C=C1N	REAL300029609416	0	46	-2.0	-100.96	397.57	1.94	-99.02
O=C(CC1=NC([O-])=CS1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609426	0	42	-2.0	-112.82	376.24	-0.61	-113.43
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=C([O-])C=CC=C3F)C2)C1	REAL300029609441	0	43	-2.0	-102.32	376.97	2.98	-99.34
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609443	0	45	-2.0	-100.63	392.00	0.06	-100.57
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=C(F)C=C3[O-])C2)C1	REAL300029609445	0	43	-2.0	-102.04	370.53	3.57	-98.47
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609485	0	46	-2.0	-104.21	396.41	3.51	-100.70
O=C(CC1SC(=O)[N-]C1=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609560	0	43	-2.0	-88.58	384.23	-1.36	-89.94
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=C([O-])C(F)=C3F)C2)C1	REAL300029609586	0	43	-2.0	-96.90	376.51	2.78	-94.12
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=CC(Cl)=C3[O-])C2)C1	REAL300029609593	0	43	-2.0	-106.32	380.09	4.02	-102.30
CC1=CC(=O)C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N[N-]1	REAL300029609624	0	44	-2.0	-94.39	375.33	3.42	-90.97
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029609628	0	48	-2.0	-110.61	407.17	3.10	-107.51
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=CC(=O)N3[O-])C2)C1	REAL300029609652	0	43	-2.0	-117.26	376.25	3.18	-114.08
N#CC1=CC=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300029609685	0	43	-2.0	-96.64	386.70	1.12	-95.52
CN1N=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300029609740	0	42	-2.0	-96.70	364.30	-0.20	-96.90
[N-]=[N+]=NC1=CC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC=C1[O-]	REAL300029609766	0	45	-2.0	-88.26	393.02	0.47	-87.79
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=C(F)C=CC(O)=C3O)C2)C1	REAL300029609802	0	44	-2.0	-100.34	387.70	1.03	-99.31
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=C(F)C=CC(O)=C3[O-])C2)C1	REAL300029609802	1	44	-2.0	-100.34	387.70	1.03	-99.31
N#CC1=CC=C([O-])C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029609812	0	44	-2.0	-96.05	385.20	3.95	-92.10
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CN([O-])C(=O)NC3=O)C2)C1	REAL300029609914	0	43	-2.0	-93.64	381.35	0.77	-92.87
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=C(F)C([O-])=C3)C2)C1	REAL300029609973	1	43	-2.0	-103.82	367.40	2.54	-101.28
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=C(Cl)C=C3[O-])C2)C1	REAL300029609993	1	43	-2.0	-101.90	380.84	4.02	-97.88
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300029610071	0	41	-2.0	-86.63	360.24	-2.11	-88.74
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1	REAL300029610071	1	41	-2.0	-86.63	360.24	-2.11	-88.74
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=C4N=NN([O-])C4=C3)C2)C1	REAL300029610092	0	45	-2.0	-93.61	383.23	1.44	-92.17
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=C(Cl)C(=O)[N-]S3)C2)C1	REAL300029610123	0	39	-2.0	-93.75	361.93	0.50	-93.25
NC1=NC=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N1	REAL300029610141	0	43	-2.0	-98.70	374.39	-0.09	-98.79
NC1=NC=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300029610141	1	43	-2.0	-98.70	374.39	-0.09	-98.79
CC1=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C(=O)C(C#N)=C1	REAL300029610167	0	46	-2.0	-86.42	396.46	2.89	-83.53
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=C4N[N-]N=C4C3=O)C2)C1	REAL300029610236	0	45	-2.0	-96.52	390.79	1.31	-95.21
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=NC=CC(Cl)=C3[O-])C2)C1	REAL300029610246	0	42	-2.0	-103.33	374.85	3.87	-99.46
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610302	0	39	-2.0	-95.30	342.09	-0.16	-95.46
CC1SC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NC1=O	REAL300029610328	0	42	-2.0	-96.05	373.92	0.23	-95.82
CC1=C([O-])N=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300029610328	1	42	-2.0	-96.05	373.92	0.23	-95.82
O=C(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=C(O)C=C1	REAL300029610427	0	45	-2.0	-91.77	384.62	2.73	-89.04
O=C(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=C([O-])C=C1	REAL300029610427	1	45	-2.0	-91.77	384.62	2.73	-89.04
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CN=C(C=N[O-])S3)C2)C1	REAL300029610453	0	42	-2.0	-104.57	379.57	0.77	-103.80
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC(=O)C=C(Cl)N3)C2)C1	REAL300029610478	0	42	-2.0	-86.69	376.49	3.15	-83.54
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C2)C1	REAL300029610478	1	42	-2.0	-86.69	376.49	3.15	-83.54
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300029610503	0	43	-2.0	-89.94	377.39	-1.49	-91.43
CCN1[N-]C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029610567	0	46	-2.0	-95.95	391.55	2.28	-93.67
CN1[N-]C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029610589	0	43	-2.0	-94.94	369.73	1.35	-93.59
O=C(CSC1=NNC(=O)[N-]1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610601	0	43	-2.0	-93.23	387.31	-0.74	-93.97
O=C(CC1=CC(=O)NN1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610749	0	43	-2.0	-102.16	370.39	0.11	-102.05
O=C(CC1=CC(=O)N[N-]1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029610749	1	43	-2.0	-102.16	370.39	0.11	-102.05
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=C(O)C(F)=C3)C2)C1	REAL300029610754	0	43	-2.0	-96.40	367.36	2.58	-93.82
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)C2)C1	REAL300029610754	1	43	-2.0	-96.40	367.36	2.58	-93.82
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC(F)=C([O-])C(F)=C3)C2)C1	REAL300029610808	0	43	-2.0	-94.89	373.40	2.65	-92.24
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=NC(Cl)=C3[O-])C2)C1	REAL300029610814	0	42	-2.0	-103.11	374.94	2.24	-100.87
CC1=CN=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C([O-])=C1	REAL300029610867	1	45	-2.0	-104.99	379.97	3.96	-101.03
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC([O-])=CS3)C2)C1	REAL300029610892	0	40	-2.0	-103.73	353.33	1.61	-102.12
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CN([O-])C(=O)C=C3)C2)C1	REAL300029610908	0	43	-2.0	-103.34	376.99	3.44	-99.90
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3=CN([O-])C(=O)NC3=O)C2)C1	REAL300029610943	0	43	-2.0	-94.48	371.14	1.79	-92.69
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C2CC2)[N-]C1=O	REAL300029611503	1	44	-2.0	-91.23	373.12	0.51	-90.72
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029611810	0	44	-2.0	-83.27	379.27	-1.27	-84.54
O=C(CCCN1C(=O)[N-]NC1=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612360	0	45	-2.0	-100.30	384.32	-1.89	-102.19
CC(C)CN1[N-]C(CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029612557	0	51	-2.0	-108.33	422.10	2.18	-106.15
O=C(CCC1=NNC(=O)[N-]C1=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612651	0	43	-2.0	-97.71	372.91	-4.64	-102.35
CC(=O)[N-]C1=NC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300029612652	1	41	-2.0	-86.53	366.31	-1.11	-87.64
O=C(CCN1C=C[N-]C(=O)C1=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029612866	1	44	-2.0	-102.95	377.77	-0.47	-103.42
COC1=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300029613011	1	42	-2.0	-93.71	361.43	-3.42	-97.13
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300029613162	0	37	-2.0	-96.60	327.70	-4.72	-101.32
O=C(CN1C(=O)[N-]NC1=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029613304	0	39	-2.0	-100.19	341.81	-3.08	-103.27
CC1=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C(C)C)=N1	REAL300029613347	1	49	-2.0	-90.23	398.20	0.93	-89.30
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029613485	0	43	-2.0	-104.19	376.24	-0.23	-104.42
O=C([N-]C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)C(F)F	REAL300029614382	1	37	-2.0	-101.57	338.02	2.14	-99.43
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300029614399	0	39	-2.0	-108.37	338.78	1.40	-106.97
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300029614606	0	39	-2.0	-90.22	340.13	-3.54	-93.76
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300029614622	1	35	-2.0	-88.75	311.29	-3.64	-92.39
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C2CCC2)[N-]C1=O	REAL300029614685	1	47	-2.0	-90.59	388.91	1.07	-89.52
O=C([N-]C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300029614773	1	34	-2.0	-96.65	312.44	1.45	-95.20
CCN1[N-]C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029614906	0	42	-2.0	-94.40	360.69	-0.03	-94.43
O=C(CC1=CC(=O)N[N-]1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614917	1	39	-2.0	-104.85	337.68	-2.07	-106.92
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=S)N1[O-]	REAL300029614944	0	39	-2.0	-131.00	347.43	3.44	-127.56
O=C(CC1SC(=O)[N-]C1=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029614963	0	39	-2.0	-92.88	351.42	-3.52	-96.40
CN1N=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029614983	0	38	-2.0	-97.24	333.45	-2.44	-99.68
CC1=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)NC(C2CC2)=N1	REAL300029615115	0	47	-2.0	-90.91	388.38	1.14	-89.77
CC1=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C2CC2)=N1	REAL300029615115	1	47	-2.0	-90.91	388.38	1.14	-89.77
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300029615131	0	37	-2.0	-98.04	313.79	1.06	-96.98
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=C2N=NN([O-])C2=C1	REAL300029615175	0	41	-2.0	-106.90	355.34	-0.10	-107.00
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300029615302	0	36	-2.0	-90.62	317.13	-2.66	-93.28
C[PH](C)([O-])C(=O)C(=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615307	0	41	-2.0	-92.18	349.99	-1.39	-93.57
O=C(CCC1=NC(=O)NN1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615351	0	41	-2.0	-100.13	352.05	-3.00	-103.13
O=C(CCC1=NC(=O)[N-]N1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615351	1	41	-2.0	-100.13	352.05	-3.00	-103.13
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300029615361	0	39	-2.0	-99.90	337.39	1.58	-98.32
CSC1=NC=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029615387	0	41	-2.0	-90.15	363.53	-0.61	-90.76
CSC1=NC=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029615387	1	41	-2.0	-90.15	363.53	-0.61	-90.76
CC1SC(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300029615415	0	38	-2.0	-94.63	343.73	-2.58	-97.21
CC1=C([O-])N=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300029615415	1	38	-2.0	-94.63	343.73	-2.58	-97.21
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)N1	REAL300029615439	0	38	-2.0	-87.51	346.29	0.62	-86.89
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)[N-]1	REAL300029615439	1	38	-2.0	-87.51	346.29	0.62	-86.89
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300029615467	0	39	-2.0	-108.10	339.15	1.39	-106.71
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300029615542	0	39	-2.0	-127.54	336.31	2.40	-125.14
NC1=NC([O-])=C(CC(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300029615761	0	40	-2.0	-111.58	358.35	-3.66	-115.24
O=C(CC1=NC([O-])=CS1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615840	0	38	-2.0	-112.24	342.66	-2.76	-115.00
CCC1=NC=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029615872	1	43	-2.0	-89.57	362.28	-0.14	-89.71
O=C(CN1N=CC(=O)[N-]C1=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029615886	0	40	-2.0	-104.50	353.03	-4.22	-108.72
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=C(Cl)C(=O)[N-]S1	REAL300029615986	0	35	-2.0	-92.01	334.52	-1.38	-93.39
COCC1=NC=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029616126	0	44	-2.0	-90.68	375.21	-1.90	-92.58
COCC1=NC=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029616126	1	44	-2.0	-90.68	375.21	-1.90	-92.58
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN=C(CC2CC2)NC1=O	REAL300029616141	0	47	-2.0	-89.66	393.19	1.46	-88.20
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN=C(CC2CC2)[N-]C1=O	REAL300029616141	1	47	-2.0	-89.66	393.19	1.46	-88.20
CC1=CC(=O)C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029616249	0	40	-2.0	-96.94	344.86	1.13	-95.81
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300029616272	0	35	-2.0	-89.09	311.72	-3.94	-93.03
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029616302	0	40	-2.0	-89.82	354.15	0.34	-89.48
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029616302	1	40	-2.0	-89.82	354.15	0.34	-89.48
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C=N[O-])S1	REAL300029616465	0	38	-2.0	-101.46	351.54	-1.11	-102.57
CN1[N-]C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029616751	0	39	-2.0	-93.40	338.90	-0.96	-94.36
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC2=C1C(=O)NC2=O	REAL300029616761	0	42	-2.0	-114.97	361.65	-0.52	-115.49
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300029616761	1	42	-2.0	-114.97	361.65	-0.52	-115.49
O=C(CSC1=NNC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029616765	0	39	-2.0	-96.59	354.00	-2.87	-99.46
CC1=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=S)NC(=O)N1	REAL300029616766	0	41	-2.0	-113.97	367.54	-1.55	-115.52
CC1=C(C(=O)NC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300029616766	1	41	-2.0	-113.97	367.54	-1.55	-115.52
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300029617031	0	37	-2.0	-87.26	330.80	-4.98	-92.24
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300029617031	1	37	-2.0	-87.26	330.80	-4.98	-92.24
O=C(COC1=NC(=O)[N-]C(=O)N1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029617131	0	41	-2.0	-92.99	363.85	-6.51	-99.50
O=C(COC1=NC(=O)NC(=O)[N-]1)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029617131	1	41	-2.0	-92.99	363.85	-6.51	-99.50
O=C(CN1[N-]C(=O)C=CC1=O)NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300029617310	0	41	-2.0	-103.53	358.80	-2.13	-105.66
O=C(NC[C@H]1CCCN1C(=O)C1=NC=CC=C1O)C1=CC(=O)[N-]O1	REAL300029617555	0	38	-2.0	-106.81	327.79	1.34	-105.47
O=C(NC[C@H]1CCCN1C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029617555	1	38	-2.0	-106.81	327.79	1.34	-105.47
O=C(CCN1C=CNC(=O)C1=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029617676	0	44	-2.0	-97.13	381.00	-0.32	-97.45
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029617676	1	44	-2.0	-97.13	381.00	-0.32	-97.45
CC(=O)NC1=NC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300029617689	0	41	-2.0	-86.49	366.84	-0.58	-87.07
CC(=O)[N-]C1=NC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300029617689	1	41	-2.0	-86.49	366.84	-0.58	-87.07
O=C(NC[C@H]1CCCN1C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029617721	0	37	-2.0	-97.82	328.24	-4.51	-102.33
COC1=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)NC(=O)NC1=O	REAL300029617781	0	42	-2.0	-104.36	357.46	-2.63	-106.99
COC1=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300029617781	1	42	-2.0	-104.36	357.46	-2.63	-106.99
O=C(CN1C(=O)[N-]NC1=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029617963	0	39	-2.0	-99.91	345.32	-2.99	-102.90
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029618018	0	43	-2.0	-101.56	378.87	-0.10	-101.66
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029619018	0	45	-2.0	-97.72	387.98	-1.75	-99.47
CC(C)CN1[N-]C(CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029619193	0	51	-2.0	-104.36	422.01	2.05	-102.31
O=C(NC[C@H]1CCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029619249	1	44	-2.0	-105.01	372.38	0.86	-104.15
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029620172	0	43	-2.0	-94.16	375.22	-4.46	-98.62
O=C(NC[C@H]1CCCN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300029620180	0	41	-2.0	-104.91	354.32	3.05	-101.86
O=C(NC[C@H]1CCCN1C(=O)C1=CC(Cl)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029620199	1	39	-2.0	-114.84	342.45	3.18	-111.66
N#CC1=CC([O-])=CC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029620237	1	40	-2.0	-94.34	348.54	1.58	-92.76
NC1=CC=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1Cl	REAL300029620267	0	41	-2.0	-120.32	355.28	1.13	-119.19
O=C(NC[C@H]1CCCN1C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=CC(=O)[N-]O1	REAL300029620323	0	41	-2.0	-124.52	353.25	3.92	-120.60
CCC1=NC=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029620357	1	43	-2.0	-103.35	361.18	0.26	-103.09
O=C(NC[C@H]1CCCN1C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029620383	1	35	-2.0	-88.96	311.86	-2.53	-91.49
O=C(C[N-]C(=O)C(F)(F)F)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029620492	0	38	-2.0	-90.64	349.94	-2.70	-93.34
NC1=NC([O-])=C(CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300029620493	0	40	-2.0	-109.00	360.65	-3.48	-112.48
O=C(NC[C@H]1CCCN1C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300029620531	1	39	-2.0	-103.77	333.39	1.42	-102.35
O=C(NC[C@H]1CCCN1C(=O)C1=CC([O-])=C2SC=CC2=C1)C1=CC(=O)[N-]O1	REAL300029620539	1	42	-2.0	-102.40	364.21	2.73	-99.67
O=C(NC[C@H]1CCCN1C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300029620542	0	38	-2.0	-89.90	336.94	0.04	-89.86
N#CC1=CC=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300029620555	1	40	-2.0	-95.34	347.33	1.81	-93.53
O=C(NC[C@H]1CCCN1C(=O)C1=CC(Cl)=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300029620561	0	38	-2.0	-112.57	337.53	1.31	-111.26
N#CC1=CC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=C(N)[N-]C1=O	REAL300029620565	0	41	-2.0	-96.53	364.40	-1.36	-97.89
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029620581	0	40	-2.0	-101.58	355.34	-4.10	-105.68
CC1=CC=C([O-])C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029620684	1	41	-2.0	-109.30	350.28	1.85	-107.45
O=C(NC[C@H]1CCCN1C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300029620713	0	37	-2.0	-95.55	319.83	-0.06	-95.61
O=C(NC[C@H]1CCCN1C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300029620725	0	39	-2.0	-123.80	332.92	2.71	-121.09
O=C(NC[C@H]1CCCN1C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029620862	1	39	-2.0	-119.69	333.23	1.40	-118.29
O=C(NC[C@H]1CCCN1C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=CC(=O)[N-]O1	REAL300029620942	0	41	-2.0	-96.73	353.11	3.16	-93.57
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300029621012	0	36	-2.0	-90.28	315.87	-2.31	-92.59
C[PH](C)([O-])C(=O)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621019	0	41	-2.0	-90.90	349.15	-1.22	-92.12
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621051	0	44	-2.0	-103.71	383.99	2.31	-101.40
O=C(NC[C@H]1CCCN1C(=O)C1=CN=C(CC2CC2)NC1=O)C1=CC(=O)[N-]O1	REAL300029621073	0	47	-2.0	-103.63	392.21	1.86	-101.77
O=C(NC[C@H]1CCCN1C(=O)C1=CN=C(CC2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029621073	1	47	-2.0	-103.63	392.21	1.86	-101.77
COCC1=NC=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029621091	0	44	-2.0	-104.33	374.11	-1.49	-105.82
COCC1=NC=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029621091	1	44	-2.0	-104.33	374.11	-1.49	-105.82
CC1=CC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC([N+](=O)[O-])=C1[O-]	REAL300029621100	0	44	-2.0	-95.79	377.46	3.65	-92.14
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300029621151	0	39	-2.0	-117.61	333.32	2.01	-115.60
O=C(NC[C@H]1CCCN1C(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029621190	0	39	-2.0	-110.25	345.71	1.52	-108.73
O=C(NC[C@H]1CCCN1C(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300029621192	0	35	-2.0	-89.10	311.66	-3.13	-92.23
O=C(NC[C@H]1CCCN1C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300029621205	0	39	-2.0	-115.03	336.52	1.99	-113.04
N#CC1=CN(CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C1=O	REAL300029621378	0	42	-2.0	-105.40	379.80	-1.78	-107.18
O=C(NC[C@H]1CCCN1C(=O)C1=CC(F)=CC=C1O)C1=CC(=O)[N-]O1	REAL300029621449	0	39	-2.0	-113.85	332.14	2.74	-111.11
O=C(NC[C@H]1CCCN1C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029621449	1	39	-2.0	-113.85	332.14	2.74	-111.11
CC1=CC=NC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1O	REAL300029621549	0	41	-2.0	-108.15	348.97	1.97	-106.18
CC1=CC=NC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300029621549	1	41	-2.0	-108.15	348.97	1.97	-106.18
O=C(NC[C@H]1CCCN1C(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300029621608	0	39	-2.0	-119.21	349.07	3.22	-115.99
O=C(NC[C@H]1CCCN1C(=O)C1=CN=CC(O)=C1)C1=CC(=O)[N-]O1	REAL300029621731	0	38	-2.0	-109.92	322.81	-0.65	-110.57
O=C(NC[C@H]1CCCN1C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300029621731	1	38	-2.0	-109.92	322.81	-0.65	-110.57
O=C(NC[C@H]1CCCN1C(=O)C1=CC=CC(=S)N1[O-])C1=CC(=O)[N-]O1	REAL300029621745	0	39	-2.0	-114.82	346.06	2.81	-112.01
O=C(NC[C@H]1CCCN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029621905	1	47	-2.0	-105.15	388.13	1.40	-103.75
NC1=CC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC([O-])=C1Cl	REAL300029621920	1	41	-2.0	-96.97	360.14	-0.38	-97.35
O=C(NC[C@H]1CCCN1C(=O)C1=CC=C([O-])C(Cl)=N1)C1=CC(=O)[N-]O1	REAL300029621924	0	38	-2.0	-85.08	346.12	0.19	-84.89
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029621991	0	43	-2.0	-100.35	367.37	1.33	-99.02
O=C(NC[C@H]1CCCN1C(=O)C1=CC=C([O-])C=C1Cl)C1=CC(=O)[N-]O1	REAL300029621998	1	39	-2.0	-101.65	341.61	1.87	-99.78
N#CC1=CC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=C([O-])C=C1N	REAL300029622000	0	42	-2.0	-111.59	360.48	0.94	-110.65
O=C(CC1=NC([O-])=CS1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622012	0	38	-2.0	-111.15	346.15	-2.64	-113.79
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622038	0	41	-2.0	-100.38	361.15	-1.98	-102.36
O=C(NC[C@H]1CCCN1C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300029622043	0	39	-2.0	-117.16	333.11	2.71	-114.45
O=C(CC1SC(=O)[N-]C1=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622182	0	39	-2.0	-90.39	353.56	-3.37	-93.76
O=C(NC[C@H]1CCCN1C(=O)C1=CC=C([O-])C(F)=C1F)C1=CC(=O)[N-]O1	REAL300029622210	0	39	-2.0	-106.23	339.48	1.49	-104.74
O=C(NC[C@H]1CCCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029622214	1	40	-2.0	-94.53	352.92	0.06	-94.47
O=C(NC[C@H]1CCCN1C(=O)C1=CC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029622220	0	39	-2.0	-117.82	342.73	3.19	-114.63
CC1=CC(=O)C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029622259	0	40	-2.0	-96.16	344.55	1.40	-94.76
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622263	0	44	-2.0	-110.57	376.54	1.05	-109.52
O=C(NC[C@H]1CCCN1C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300029622295	0	39	-2.0	-140.52	331.51	2.64	-137.88
N#CC1=CC=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029622333	0	39	-2.0	-97.13	346.22	-0.22	-97.35
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622334	0	41	-2.0	-93.87	366.74	-6.39	-100.26
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029622334	1	41	-2.0	-90.80	366.47	-6.35	-97.15
O=C(NC[C@H]1CCCN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C1=CC(=O)[N-]O1	REAL300029622363	0	41	-2.0	-97.59	358.12	2.77	-94.82
CN1N=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029622407	0	38	-2.0	-97.67	333.34	-2.14	-99.81
[N-]=[N+]=NC1=CC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC=C1[O-]	REAL300029622445	0	41	-2.0	-101.07	355.07	-0.74	-101.81
N#CC1=CC=C([O-])C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029622491	0	40	-2.0	-109.37	347.52	3.06	-106.31
O=C(NC[C@H]1CCCN1C(=O)C1=CN([O-])C(=O)NC1=O)C1=CC(=O)[N-]O1	REAL300029622631	0	39	-2.0	-101.16	341.91	-0.54	-101.70
O=C(NC[C@H]1CCCN1C(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300029622672	0	39	-2.0	-110.29	349.26	3.22	-107.07
O=C(NC[C@H]1CCCN1C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300029622701	1	39	-2.0	-99.63	333.36	1.43	-98.20
O=C(NC[C@H]1CCCN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=CC(=O)[N-]O1	REAL300029622710	1	44	-2.0	-129.94	367.81	3.12	-126.82
O=C(NC[C@H]1CCCN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=CC(=O)[N-]O1	REAL300029622714	0	41	-2.0	-113.90	354.81	3.33	-110.57
O=C(NC[C@H]1CCCN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029622718	0	41	-2.0	-104.43	355.33	3.26	-101.17
O=C(NC[C@H]1CCCN1C(=O)C1=CC=C(Cl)C=C1[O-])C1=CC(=O)[N-]O1	REAL300029622729	1	39	-2.0	-116.95	343.43	3.17	-113.78
O=C(NC[C@H]1CCCN1C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300029622753	0	41	-2.0	-94.53	356.45	1.86	-92.67
O=C(NC[C@H]1CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300029622842	0	37	-2.0	-89.57	329.91	-4.79	-94.36
O=C(NC[C@H]1CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029622842	1	37	-2.0	-86.29	330.51	-4.02	-90.31
O=C(NC[C@H]1CCCN1C(=O)C1=CC=C2N=NN([O-])C2=C1)C1=CC(=O)[N-]O1	REAL300029622882	0	41	-2.0	-117.94	349.67	0.44	-117.50
O=C(NC[C@H]1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC(=O)[N-]O1	REAL300029622924	1	44	-2.0	-112.45	373.03	3.67	-108.78
O=C(NC[C@H]1CCCN1C(=O)C1=C(Cl)C(=O)[N-]S1)C1=CC(=O)[N-]O1	REAL300029622925	0	35	-2.0	-92.21	331.64	-1.67	-93.88
NC1=NC=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029622945	1	39	-2.0	-103.76	334.70	-1.38	-105.14
CC1=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300029622985	0	42	-2.0	-84.07	366.42	0.97	-83.10
O=C(NC[C@H]1CCCN1C(=O)C1=CC=C(F)C([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029623007	0	39	-2.0	-118.67	339.42	1.45	-117.22
O=C(NC[C@H]1CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC(=O)[N-]O1	REAL300029623075	0	39	-2.0	-100.24	350.23	1.88	-98.36
O=C(NC[C@H]1CCCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300029623081	1	40	-2.0	-96.69	347.92	0.72	-95.97
COC1=NC(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300029623088	0	41	-2.0	-95.01	353.69	-3.81	-98.82
O=C(NC[C@H]1CCCN1C(=O)C1=CC=C2N[N-]N=C2C1=O)C1=CC(=O)[N-]O1	REAL300029623090	0	41	-2.0	-100.25	351.36	0.08	-100.17
O=C(NC[C@H]1CCCN1C(=O)C1=NC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029623098	0	38	-2.0	-102.91	344.01	1.84	-101.07
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623105	1	42	-2.0	-103.35	377.03	2.20	-101.15
O=C(NC[C@H]1CCCN1C(=O)C1=CC=C(Cl)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300029623147	0	39	-2.0	-96.51	343.15	1.90	-94.61
O=C(NC[C@H]1CCCN1C(=O)C1=CC=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300029623158	0	38	-2.0	-119.79	320.78	0.91	-118.88
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300029623165	0	35	-2.0	-93.16	310.91	-2.21	-95.37
CC1=C([O-])N=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300029623206	1	38	-2.0	-93.29	342.83	-1.64	-94.93
O=C(NC[C@H]1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1=CC(=O)[N-]O1	REAL300029623278	1	45	-2.0	-122.94	372.29	4.93	-118.01
O=C(NC[C@H]1CCCN1C(=O)C1=CC2=CC=CC=C2C=C1[O-])C1=CC(=O)[N-]O1	REAL300029623287	1	45	-2.0	-127.09	373.43	4.87	-122.22
O=C(NC[C@H]1CCCN1C(=O)C(=O)C1=CC=C([O-])C=C1)C1=CC(=O)[N-]O1	REAL300029623336	1	41	-2.0	-92.37	353.51	0.86	-91.51
O=C(NC[C@H]1CCCN1C(=O)C1=CN=C(C=N[O-])S1)C1=CC(=O)[N-]O1	REAL300029623368	0	38	-2.0	-110.64	345.82	-0.61	-111.25
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=CC(=O)[N-]O1	REAL300029623400	1	38	-2.0	-87.12	345.82	1.21	-85.91
CSC1=NC=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029623429	1	41	-2.0	-104.02	362.55	-0.21	-104.23
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300029623438	0	39	-2.0	-99.06	333.49	-2.90	-101.96
CCN1[N-]C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029623527	0	42	-2.0	-95.35	361.26	0.28	-95.07
O=C(CNC(=O)C1=NC=CC=C1[O-])N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623538	1	45	-2.0	-102.07	390.37	-0.61	-102.68
CN1[N-]C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029623548	0	39	-2.0	-93.42	338.71	-0.61	-94.03
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623563	0	39	-2.0	-93.50	356.83	-2.67	-96.17
O=C(CC1=CC(=O)N[N-]1)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1	REAL300029623729	1	39	-2.0	-101.25	340.03	-1.89	-103.14
O=C(NC[C@H]1CCCN1C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300029623736	1	39	-2.0	-101.78	333.34	1.47	-100.31
O=C(NC[C@H]1CCCN1C(=O)C1=CC(F)=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300029623797	0	39	-2.0	-102.66	340.37	1.38	-101.28
O=C(NC[C@H]1CCCN1C(=O)C1=CC=NC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029623802	0	38	-2.0	-117.84	336.84	1.34	-116.50
CC1=C(CC(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300029623823	0	45	-2.0	-106.50	383.12	0.47	-106.03
O=C(CCC(=O)N1CCC[C@@H]1CNC(=O)C1=CC(=O)[N-]O1)C1=CC=C([O-])C=C1	REAL300029623832	1	47	-2.0	-94.11	402.88	2.32	-91.79
CC1=CN=C(C(=O)N2CCC[C@@H]2CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300029623873	1	41	-2.0	-109.88	350.10	1.92	-107.96
O=C(NC[C@H]1CCCN1C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300029623911	0	36	-2.0	-115.39	319.27	0.25	-115.14
O=C(NC[C@H]1CCCN1C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300029623935	0	39	-2.0	-115.44	336.25	1.84	-113.60
O=C(NC[C@H]1CCCN1C(=O)C1=CC(F)=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029623943	0	39	-2.0	-110.09	348.79	3.28	-106.81
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)NC1=O	REAL300029623991	0	39	-2.0	-90.65	341.66	-0.96	-91.61
O=C(NC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029624031	1	40	-2.0	-82.27	353.64	-0.33	-82.60
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]C1=O	REAL300029625371	0	43	-2.0	-95.90	381.47	-3.27	-99.17
O=C(CN1C(=O)[N-]NC1=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029625467	0	45	-2.0	-97.98	395.58	-1.61	-99.59
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)C=C1	REAL300029626120	0	45	-2.0	-108.45	392.55	2.86	-105.59
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)NC([O-])=C1	REAL300029626242	0	45	-2.0	-89.56	392.95	-1.97	-91.53
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300029626253	1	41	-2.0	-89.42	365.08	-2.20	-91.62
CCN1[N-]C(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029626431	0	48	-2.0	-93.99	414.45	1.43	-92.56
O=C(CC1=CC(=O)N[N-]1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626439	1	45	-2.0	-101.28	390.58	-0.58	-101.86
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=S)N1[O-]	REAL300029626458	0	45	-2.0	-128.79	401.10	4.91	-123.88
O=C(CC1SC(=O)[N-]C1=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626468	0	45	-2.0	-91.30	403.63	-2.00	-93.30
CN1N=C(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029626484	0	44	-2.0	-97.01	387.16	-1.00	-98.01
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300029626576	0	43	-2.0	-82.61	374.13	0.95	-81.66
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300029626686	0	42	-2.0	-90.49	369.85	-1.15	-91.64
C[PH](C)([O-])C(=O)C(=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626691	0	47	-2.0	-88.59	408.30	0.19	-88.40
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300029626725	0	45	-2.0	-99.62	390.15	3.02	-96.60
CC1SC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029626756	0	44	-2.0	-95.46	396.39	-1.01	-96.47
CC1=C([O-])N=C(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029626756	1	44	-2.0	-95.46	396.39	-1.01	-96.47
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)N1	REAL300029626770	0	44	-2.0	-87.16	400.06	2.09	-85.07
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300029626770	1	44	-2.0	-87.16	400.06	2.09	-85.07
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300029626789	0	45	-2.0	-108.56	392.92	2.85	-105.71
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300029626828	0	45	-2.0	-125.05	389.99	3.88	-121.17
O=C(C[N-]C(=O)C(F)(F)F)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029626958	0	44	-2.0	-90.53	400.04	-1.32	-91.85
NC1=NC([O-])=C(CC(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029626959	0	46	-2.0	-111.27	411.18	-2.09	-113.36
O=C(CC1=NC([O-])=CS1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627007	0	44	-2.0	-112.52	396.42	-1.29	-113.81
CCC1=NC=C(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029627025	1	49	-2.0	-88.31	415.05	1.29	-87.02
O=C(CN1N=CC(=O)[N-]C1=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627034	0	46	-2.0	-103.01	405.93	-2.73	-105.74
CC1=CC(=O)C(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029627255	0	46	-2.0	-94.94	398.57	2.66	-92.28
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]1	REAL300029627271	0	41	-2.0	-94.07	364.40	-2.67	-96.74
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C=N[O-])S1	REAL300029627393	0	44	-2.0	-102.64	405.29	0.38	-102.26
COC1=NC(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029627408	0	47	-2.0	-95.20	410.63	-3.20	-98.40
CN1[N-]C(C(=O)NCCCCC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029627572	0	45	-2.0	-93.13	392.73	0.49	-92.64
O=C(CSC1=NNC(=O)[N-]1)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627579	0	45	-2.0	-95.21	406.89	-1.38	-96.59
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300029627746	0	43	-2.0	-91.94	382.97	-4.19	-96.13
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300029627746	1	43	-2.0	-86.80	383.68	-3.51	-90.31
O=C(CN1[N-]C(=O)C=CC1=O)NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029627905	0	47	-2.0	-98.81	411.70	-0.63	-99.44
O=C(NCCCCC1CN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029628158	1	44	-2.0	-102.89	381.17	2.63	-100.26
O=C(NCCCCC1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029628289	0	43	-2.0	-94.71	380.77	-3.03	-97.74
O=C(CN1C(=O)[N-]NC1=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029628469	0	45	-2.0	-95.40	397.54	-1.43	-96.83
O=C(NCCCCC1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029629958	1	45	-2.0	-99.65	402.32	3.98	-95.67
N#CC1=CC([O-])=CC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029629984	1	46	-2.0	-87.92	405.39	2.42	-85.50
CCC1=NC=C(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029630076	1	49	-2.0	-101.74	413.63	2.18	-99.56
O=C(NCCCCC1CN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029630095	1	41	-2.0	-90.85	364.73	-1.55	-92.40
O=C(C[N-]C(=O)C(F)(F)F)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630166	0	44	-2.0	-89.39	401.99	-1.14	-90.53
NC1=NC([O-])=C(CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029630167	0	46	-2.0	-108.03	413.20	-1.97	-110.00
O=C(NCCCCC1CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300029630177	0	45	-2.0	-88.67	405.11	2.45	-86.22
O=C(NCCCCC1CN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300029630193	1	45	-2.0	-93.58	391.42	2.19	-91.39
O=C(NCCCCC1CN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300029630199	0	44	-2.0	-90.70	389.59	1.56	-89.14
N#CC1=CC=C(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300029630207	1	46	-2.0	-97.47	404.82	2.40	-95.07
O=C(NCCCCC1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029630210	0	44	-2.0	-96.24	394.15	2.24	-94.00
O=C(CN1N=CC(=O)[N-]C1=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630228	0	46	-2.0	-98.89	407.88	-2.55	-101.44
CC1=CC=C([O-])C(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029630293	1	47	-2.0	-103.67	402.86	3.21	-100.46
O=C(CCC1=NC(=O)[N-]N1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630295	1	47	-2.0	-99.11	407.80	-1.34	-100.45
O=C(NCCCCC1CN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300029630314	0	43	-2.0	-92.52	372.87	1.74	-90.78
O=C(NCCCCC1CN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029630325	0	45	-2.0	-107.83	390.87	3.72	-104.11
O=C(NCCCCC1CN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029630424	1	45	-2.0	-104.82	391.18	2.20	-102.62
O=C(NCCCCC1CN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029630535	0	42	-2.0	-90.27	369.63	-1.07	-91.34
C[PH](C)([O-])C(=O)C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029630541	0	47	-2.0	-89.25	402.60	0.13	-89.12
O=C(NCCCCC1CN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300029630639	0	45	-2.0	-106.24	390.54	2.61	-103.63
O=C(NCCCCC1CN(C(=O)C2=NNC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029630665	0	41	-2.0	-93.84	364.12	-2.43	-96.27
O=C(NCCCCC1CN(C(=O)C2=C(O)C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300029630668	0	45	-2.0	-98.88	408.02	2.75	-96.13
O=C(NCCCCC1CN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300029630668	1	45	-2.0	-98.88	408.02	2.75	-96.13
O=C(NCCCCC1CN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300029630673	0	45	-2.0	-112.79	398.49	2.90	-109.89
O=C(NCCCCC1CN(C(=O)C2=C(F)C=CC(O)=C2F)C1)C1=CC(=O)[N-]O1	REAL300029630702	0	45	-2.0	-95.92	404.90	2.35	-93.57
O=C(NCCCCC1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029630702	1	45	-2.0	-95.92	404.90	2.35	-93.57
O=C(NCCCCC1CN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029630851	1	45	-2.0	-99.16	391.08	3.71	-95.45
CC1=CC=NC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029630916	1	47	-2.0	-102.72	401.58	3.31	-99.41
O=C(NCCCCC1CN(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029631037	1	44	-2.0	-90.98	379.56	0.24	-90.74
O=C(NCCCCC1CN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300029631047	0	45	-2.0	-124.65	398.83	4.68	-119.97
O=C(NCCCCC1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=CC(=O)[N-]O1	REAL300029631164	0	44	-2.0	-87.11	399.55	1.42	-85.69
O=C(NCCCCC1CN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300029631208	1	45	-2.0	-92.00	399.59	2.63	-89.37
N#CC1=CC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)=C([O-])C=C1N	REAL300029631210	0	48	-2.0	-98.26	418.36	1.93	-96.33
O=C(CC1=NC([O-])=CS1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631220	0	44	-2.0	-107.30	398.38	-1.09	-108.39
O=C(NCCCCC1CN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=CC(=O)[N-]O1	REAL300029631235	0	45	-2.0	-99.00	398.53	2.37	-96.63
O=C(CN1[N-]C(=O)C=CC1=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631237	0	47	-2.0	-96.25	413.65	-0.44	-96.69
O=C(NCCCCC1CN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029631238	0	45	-2.0	-102.09	391.16	3.72	-98.37
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631275	0	48	-2.0	-103.37	417.95	3.02	-100.35
O=C(CC1SC(=O)[N-]C1=O)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029631346	0	45	-2.0	-87.79	406.04	-1.86	-89.65
O=C(NCCCCC1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=CC(=O)[N-]O1	REAL300029631371	0	45	-2.0	-95.17	397.53	2.19	-92.98
O=C(NCCCCC1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029631378	0	45	-2.0	-102.53	400.68	4.19	-98.34
CC1=CC(=O)C(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029631407	0	46	-2.0	-94.43	398.06	2.74	-91.69
O=C(NCCCCC1CN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300029631433	0	45	-2.0	-121.93	387.72	3.64	-118.29
N#CC1=CC=C(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029631463	0	45	-2.0	-93.36	408.20	0.60	-92.76
CN1N=C(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029631515	0	44	-2.0	-96.71	386.88	-0.76	-97.47
O=C(NCCCCC1CN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C1=CC(=O)[N-]O1	REAL300029631569	0	46	-2.0	-100.50	409.25	0.53	-99.97
O=C(NCCCCC1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029631569	1	46	-2.0	-100.50	409.25	0.53	-99.97
N#CC1=CC=C([O-])C(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029631578	0	46	-2.0	-96.17	405.51	4.06	-92.11
O=C(NCCCCC1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=CC(=O)[N-]O1	REAL300029631673	0	45	-2.0	-94.63	394.04	1.34	-93.29
O=C(NCCCCC1CN(C(=O)C2=CC=C(F)C(O)=C2)C1)C1=CC(=O)[N-]O1	REAL300029631729	0	45	-2.0	-94.66	390.75	2.09	-92.57
O=C(NCCCCC1CN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029631729	1	45	-2.0	-94.66	390.75	2.09	-92.57
O=C(NCCCCC1CN(C(=O)C2=CC=C(Cl)C=C2O)C1)C1=CC(=O)[N-]O1	REAL300029631748	0	45	-2.0	-101.85	401.48	4.17	-97.68
O=C(NCCCCC1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029631748	1	45	-2.0	-101.85	401.48	4.17	-97.68
O=C(NCCCCC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300029631820	0	43	-2.0	-92.80	382.31	-3.69	-96.49
O=C(NCCCCC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029631820	1	43	-2.0	-87.26	382.98	-2.95	-90.21
NC1=NC=C(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029631880	1	45	-2.0	-98.03	396.64	-0.56	-98.59
CC1=C(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029631902	0	48	-2.0	-87.56	419.17	2.00	-85.56
O=C(NCCCCC1CN(C(=O)C2=CC=C(F)C([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029631916	0	45	-2.0	-104.20	397.50	2.17	-102.03
COC1=NC(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029631963	0	47	-2.0	-94.40	408.50	-2.69	-97.09
O=C(NCCCCC1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029631973	0	44	-2.0	-98.86	397.44	3.14	-95.72
O=C(NCCCCC1CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029632011	0	45	-2.0	-91.02	400.56	2.57	-88.45
O=C(NCCCCC1CN(C(=O)C2=CC=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029632020	0	44	-2.0	-102.22	377.75	1.89	-100.33
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300029632026	0	41	-2.0	-94.22	364.59	-0.65	-94.87
CC1=C([O-])N=C(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029632051	1	44	-2.0	-97.25	396.37	-0.57	-97.82
O=C(NCCCCC1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300029632147	1	47	-2.0	-91.31	407.10	2.27	-89.04
O=C(NCCCCC1CN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=CC(=O)[N-]O1	REAL300029632170	0	44	-2.0	-102.36	402.95	0.29	-102.07
O=C(NCCCCC1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029632194	1	44	-2.0	-86.75	399.18	2.45	-84.30
O=C(NCCCCC1CN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029632218	0	45	-2.0	-89.23	390.72	-2.31	-91.54
CCN1[N-]C(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029632279	0	48	-2.0	-93.58	414.12	1.65	-91.93
CN1[N-]C(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029632300	0	45	-2.0	-92.81	392.32	0.72	-92.09
O=C(CSC1=NNC(=O)[N-]1)N1CC(CCCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029632310	0	45	-2.0	-92.64	408.85	-1.17	-93.81
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O=C(NCCCCC1CN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029632452	1	45	-2.0	-95.45	390.74	2.15	-93.30
O=C(NCCCCC1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029632500	0	45	-2.0	-94.26	397.02	2.21	-92.05
O=C(NCCCCC1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029632505	0	44	-2.0	-100.24	393.98	2.27	-97.97
CC1=C(CC(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029632520	0	51	-2.0	-99.83	435.41	2.02	-97.81
CC1=CN=C(C(=O)N2CC(CCCCNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029632557	1	47	-2.0	-104.39	402.71	3.15	-101.24
O=C(NCCCCC1CN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300029632580	0	42	-2.0	-100.13	376.72	1.14	-98.99
O=C(NCCCCC1CN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300029632596	0	45	-2.0	-105.53	390.20	2.59	-102.94
O=C(NCCCCC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)NC1=O	REAL300029632626	0	45	-2.0	-90.68	395.32	0.57	-90.11
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)C1=NNC(=O)[N-]C1=O	REAL300029633456	0	44	-2.0	-87.55	366.14	-2.89	-90.44
O=C(CN1C(=O)[N-]NC1=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300029633509	0	46	-2.0	-89.19	380.25	-1.22	-90.41
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)C1=CN([O-])C(=O)C=C1	REAL300029633864	0	46	-2.0	-99.62	377.21	3.27	-96.35
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)C1=CC(=O)NC([O-])=C1	REAL300029633937	0	46	-2.0	-84.07	378.06	-1.53	-85.60
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)C1=COC(=O)[N-]1	REAL300029633948	1	42	-2.0	-85.83	349.75	-1.82	-87.65
CCN1[N-]C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)=CC1=O	REAL300029634058	0	49	-2.0	-86.75	399.14	1.82	-84.93
O=C(CC1=CC(=O)N[N-]1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300029634064	1	46	-2.0	-92.25	375.25	-0.19	-92.44
CN1N=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)[N-]C1=O	REAL300029634087	0	45	-2.0	-89.45	371.90	-0.62	-90.07
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)C1=C[N-]N=CC1=O	REAL300029634142	0	44	-2.0	-78.44	358.81	1.34	-77.10
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)C1=CC(=O)N[N-]1	REAL300029634205	0	43	-2.0	-83.72	354.57	-0.82	-84.54
C[PH](C)([O-])C(=O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300029634209	0	48	-2.0	-82.84	393.45	0.61	-82.23
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)C1=CC=CN([O-])C1=O	REAL300029634233	0	46	-2.0	-101.00	375.25	3.50	-97.50
CC1SC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)=NC1=O	REAL300029634253	0	45	-2.0	-92.92	381.35	-0.72	-93.64
CC1=C([O-])N=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)S1	REAL300029634253	1	45	-2.0	-92.92	381.35	-0.72	-93.64
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)C1=CC(=O)N([O-])C=C1	REAL300029634266	0	46	-2.0	-100.36	377.97	3.37	-96.99
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)C1=CC=CC(=O)N1[O-]	REAL300029634287	0	46	-2.0	-111.22	375.12	4.36	-106.86
O=C(CC1=NC([O-])=CS1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2	REAL300029634386	0	45	-2.0	-102.34	381.47	-0.80	-103.14
CC1=CC(=O)C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)=N[N-]1	REAL300029634532	0	47	-2.0	-87.12	383.33	2.97	-84.15
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)C1=NNC(=O)[N-]1	REAL300029634541	0	42	-2.0	-86.80	349.08	-2.28	-89.08
CN1[N-]C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC23CCC3)=CC1=O	REAL300029634712	0	46	-2.0	-86.05	377.31	0.90	-85.15
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)C1=NC(=O)[N-]C(=O)N1	REAL300029634800	0	44	-2.0	-88.77	367.70	-3.88	-92.65
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC12CCC2)C1=NC(=O)NC(=O)[N-]1	REAL300029634800	1	44	-2.0	-81.66	368.35	-3.11	-84.77
O=C(NC1CCN(C(=O)C2=NC=CC=C2[O-])CC12CCC2)C1=CC(=O)[N-]O1	REAL300029635140	1	45	-2.0	-99.59	366.91	3.36	-96.23
O=C(NC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC12CCC2)C1=CC(=O)[N-]O1	REAL300029635243	0	44	-2.0	-89.49	367.41	-2.67	-92.16
O=C(CN1C(=O)[N-]NC1=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300029635351	0	46	-2.0	-90.76	383.48	-0.98	-91.74
N#CC1=CC([O-])=CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)=C1	REAL300029636287	1	47	-2.0	-87.68	395.54	2.98	-84.70
O=C(NC1CCN(C(=O)C2=COC(=O)[N-]2)CC12CCC2)C1=CC(=O)[N-]O1	REAL300029636357	1	42	-2.0	-83.74	349.51	-0.21	-83.95
O=C(NC1CCN(C(=O)C2=CC=C([O-])C=C2F)CC12CCC2)C1=CC(=O)[N-]O1	REAL300029636430	1	46	-2.0	-88.31	381.54	2.72	-85.59
O=C(NC1CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC12CCC2)C1=CC(=O)[N-]O1	REAL300029636435	0	45	-2.0	-88.04	375.22	1.84	-86.20
N#CC1=CC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)C=C1[O-]	REAL300029636438	1	47	-2.0	-91.34	394.88	3.05	-88.29
CC1=CC=C([O-])C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C3(CCC3)C2)=N1	REAL300029636497	1	48	-2.0	-100.39	388.53	3.93	-96.46
O=C(NC1CCN(C(=O)C2=C[N-]N=CC2=O)CC12CCC2)C1=CC(=O)[N-]O1	REAL300029636509	0	44	-2.0	-84.89	363.51	1.12	-83.77
O=C(NC1CCN(C(=O)C2=CC=CC(F)=C2[O-])CC12CCC2)C1=CC(=O)[N-]O1	REAL300029636516	0	46	-2.0	-101.66	380.92	3.03	-98.63
O=C(NC1CCN(C(=O)C2=CC=CC([O-])=C2F)CC12CCC2)C1=CC(=O)[N-]O1	REAL300029636588	1	46	-2.0	-97.27	381.20	2.69	-94.58
O=C(NC1CCN(C(=O)C2=CC(=O)N[N-]2)CC12CCC2)C1=CC(=O)[N-]O1	REAL300029636663	0	43	-2.0	-84.93	354.79	-0.28	-85.21
C[PH](C)([O-])C(=O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C2(CCC2)C1	REAL300029636669	0	48	-2.0	-85.87	393.93	0.68	-85.19
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O=C(CN1[N-]C(=O)C=CC1=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029649522	0	45	-2.0	-93.14	371.43	-0.84	-93.98
O=C(NC1CCN(C(=O)C2=NC=CC=C2[O-])C12CCC2)C1=CC(=O)[N-]O1	REAL300029649775	1	42	-2.0	-95.55	347.02	2.15	-93.40
O=C(NC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C12CCC2)C1=CC(=O)[N-]O1	REAL300029649899	0	41	-2.0	-88.36	346.61	-3.59	-91.95
O=C(CN1C(=O)[N-]NC1=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029650064	0	43	-2.0	-89.44	363.62	-1.94	-91.38
O=C(NC1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C12CCC2)C1=CC(=O)[N-]O1	REAL300029650882	1	48	-2.0	-91.71	395.15	1.17	-90.54
O=C(NC1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C12CCC2)C1=CC(=O)[N-]O1	REAL300029651444	1	43	-2.0	-90.87	368.08	3.19	-87.68
N#CC1=CC([O-])=CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)=C1	REAL300029651469	1	44	-2.0	-84.14	370.89	1.93	-82.21
CCC1=NC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)C(=O)[N-]1	REAL300029651548	1	47	-2.0	-90.39	384.10	0.59	-89.80
O=C(NC1CCN(C(=O)C2=COC(=O)[N-]2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029651565	1	39	-2.0	-86.28	330.29	-1.53	-87.81
O=C(C[N-]C(=O)C(F)(F)F)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029651639	0	42	-2.0	-83.53	367.99	-1.67	-85.20
NC1=NC([O-])=C(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)S1	REAL300029651640	0	44	-2.0	-105.18	379.30	-2.48	-107.66
O=C(NC1CCN(C(=O)C2=CC=C([O-])C=C2F)C12CCC2)C1=CC(=O)[N-]O1	REAL300029651661	1	43	-2.0	-87.65	354.54	1.65	-86.00
O=C(NC1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029651667	0	42	-2.0	-85.59	355.36	1.09	-84.50
N#CC1=CC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)C=C1[O-]	REAL300029651675	1	44	-2.0	-90.41	370.19	2.00	-88.41
O=C(NC1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C12CCC2)C1=CC(=O)[N-]O1	REAL300029651679	0	42	-2.0	-88.63	359.96	1.59	-87.04
N#CC1=CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)=C(N)[N-]C1=O	REAL300029651682	0	45	-2.0	-83.84	386.71	-1.06	-84.90
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029651696	0	44	-2.0	-95.58	373.96	-3.06	-98.64
CC1=CC=C([O-])C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)=N1	REAL300029651760	1	45	-2.0	-96.45	368.62	2.73	-93.72
O=C(CCC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029651761	0	45	-2.0	-87.63	373.96	-1.30	-88.93
O=C(NC1CCN(C(=O)C2=C[N-]N=CC2=O)C12CCC2)C1=CC(=O)[N-]O1	REAL300029651779	0	41	-2.0	-81.96	342.50	0.24	-81.72
O=C(NC1CCN(C(=O)C2=CC=CC(F)=C2[O-])C12CCC2)C1=CC(=O)[N-]O1	REAL300029651787	0	43	-2.0	-99.42	354.10	3.06	-96.36
O=C(NC1CCN(C(=O)C2=CC=CC([O-])=C2F)C12CCC2)C1=CC(=O)[N-]O1	REAL300029651880	1	43	-2.0	-97.56	354.42	1.65	-95.91
O=C(NC1CCN(C(=O)C2=CC(=O)N[N-]2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029651985	0	40	-2.0	-84.58	335.14	-1.35	-85.93
C[PH](C)([O-])C(=O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029651990	0	45	-2.0	-84.60	364.64	0.19	-84.41
O=C(NC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029652081	0	43	-2.0	-99.62	355.94	2.10	-97.52
O=C(NC1CCN(C(=O)C2=NC(=O)N[N-]2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029652110	0	39	-2.0	-85.59	329.92	-2.12	-87.71
O=C(NC1CCN(C(=O)C2=CC=CN([O-])C2=O)C12CCC2)C1=CC(=O)[N-]O1	REAL300029652116	0	43	-2.0	-106.59	359.59	2.30	-104.29
O=C(NC1CCN(C(=O)C2=CC(F)=CC=C2O)C12CCC2)C1=CC(=O)[N-]O1	REAL300029652273	0	43	-2.0	-90.53	357.77	2.73	-87.80
O=C(NC1CCN(C(=O)C2=CC(F)=CC=C2[O-])C12CCC2)C1=CC(=O)[N-]O1	REAL300029652273	1	43	-2.0	-90.53	357.77	2.73	-87.80
CC1=CC=NC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)=C1O	REAL300029652335	0	45	-2.0	-95.44	367.35	2.84	-92.60
CC1=CC=NC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)=C1[O-]	REAL300029652335	1	45	-2.0	-95.44	367.35	2.84	-92.60
O=C(NC1CCN(C(=O)C2=CN=CC(O)=C2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029652450	0	42	-2.0	-89.32	345.03	-0.31	-89.63
O=C(NC1CCN(C(=O)C2=CN=CC([O-])=C2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029652450	1	42	-2.0	-89.32	345.03	-0.31	-89.63
O=C(NC1CCN(C(=O)C2=CC=CC(=S)N2[O-])C12CCC2)C1=CC(=O)[N-]O1	REAL300029652460	0	43	-2.0	-114.70	364.35	3.97	-110.73
O=C(NC1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029652573	0	42	-2.0	-81.71	364.70	1.23	-80.48
O=C(NC1CCN(C(=O)C2=CC=C(O)C=C2Cl)C12CCC2)C1=CC(=O)[N-]O1	REAL300029652617	0	43	-2.0	-86.73	362.55	2.09	-84.64
O=C(NC1CCN(C(=O)C2=CC=C([O-])C=C2Cl)C12CCC2)C1=CC(=O)[N-]O1	REAL300029652617	1	43	-2.0	-86.73	362.55	2.09	-84.64
N#CC1=CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)=C([O-])C=C1N	REAL300029652618	0	46	-2.0	-91.03	381.61	1.27	-89.76
O=C(CC1=NC([O-])=CS1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029652625	0	42	-2.0	-104.03	364.48	-1.59	-105.62
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029652639	0	45	-2.0	-90.21	379.73	-0.96	-91.17
O=C(CC1SC(=O)[N-]C1=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029652735	0	43	-2.0	-84.46	371.73	-2.36	-86.82
O=C(NC1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C12CCC2)C1=CC(=O)[N-]O1	REAL300029652756	0	43	-2.0	-87.63	364.10	1.73	-85.90
O=C(NC1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C12CCC2)C1=CC(=O)[N-]O1	REAL300029652763	0	43	-2.0	-94.40	363.90	3.54	-90.86
CC1=CC(=O)C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)=N[N-]1	REAL300029652789	0	44	-2.0	-88.24	363.79	2.28	-85.96
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029652792	0	48	-2.0	-97.84	395.61	1.91	-95.93
O=C(NC1CCN(C(=O)C2=CC=CC(=O)N2[O-])C12CCC2)C1=CC(=O)[N-]O1	REAL300029652811	0	43	-2.0	-112.42	353.24	2.94	-109.48
N#CC1=CC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)C(=O)[N-]1	REAL300029652834	0	43	-2.0	-86.40	369.16	0.05	-86.35
CN1N=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)[N-]C1=O	REAL300029652884	0	42	-2.0	-90.74	352.64	-1.16	-91.90
[N-]=[N+]=NC1=CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)=CC=C1[O-]	REAL300029652907	0	45	-2.0	-86.76	376.55	-0.10	-86.86
N#CC1=CC=C([O-])C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)=C1	REAL300029652943	0	44	-2.0	-88.06	372.22	3.08	-84.98
O=C(NC1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653035	0	43	-2.0	-87.21	364.46	-0.23	-87.44
O=C(NC1CCN(C(=O)C2=CC=C(F)C(O)=C2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653085	0	43	-2.0	-87.59	354.96	2.09	-85.50
O=C(NC1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653085	1	43	-2.0	-87.59	354.96	2.09	-85.50
O=C(NC1CCN(C(=O)C2=CC=C(Cl)C=C2O)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653102	0	43	-2.0	-93.83	364.58	3.50	-90.33
O=C(NC1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C12CCC2)C1=CC(=O)[N-]O1	REAL300029653102	1	43	-2.0	-93.83	364.58	3.50	-90.33
O=C(NC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653167	0	41	-2.0	-88.04	348.16	-3.82	-91.86
O=C(NC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653167	1	41	-2.0	-81.98	348.75	-3.04	-85.02
O=C(NC1CCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653181	0	45	-2.0	-95.37	372.25	0.58	-94.79
O=C(NC1CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653210	0	39	-2.0	-85.75	350.19	-0.65	-86.40
NC1=NC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)C(=O)[N-]1	REAL300029653224	1	43	-2.0	-90.81	357.53	-1.06	-91.87
CC1=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)[N-]C(=O)C(C#N)=C1	REAL300029653247	0	46	-2.0	-84.08	384.91	1.85	-82.23
O=C(NC1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653259	0	43	-2.0	-94.82	364.04	1.70	-93.12
COC1=NC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)=CC(=O)[N-]1	REAL300029653307	0	45	-2.0	-88.20	373.92	-2.82	-91.02
O=C(NC1CCN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653308	0	45	-2.0	-89.07	374.35	0.40	-88.67
O=C(NC1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C12CCC2)C1=CC(=O)[N-]O1	REAL300029653314	0	42	-2.0	-91.72	363.21	2.67	-89.05
O=C(NC1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653347	0	43	-2.0	-84.12	364.76	2.60	-81.52
O=C(NC1CCN(C(=O)C2=CC=NC=C2[O-])C12CCC2)C1=CC(=O)[N-]O1	REAL300029653356	0	42	-2.0	-94.05	343.08	1.19	-92.86
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653361	0	39	-2.0	-88.60	330.13	-1.17	-89.77
CC1=C([O-])N=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)S1	REAL300029653382	1	42	-2.0	-92.93	362.07	-0.72	-93.65
O=C(NC1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653472	1	45	-2.0	-86.16	372.81	1.86	-84.30
O=C(NC1CCN(C(=O)C2=CN=C(C=N[O-])S2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653495	0	42	-2.0	-96.49	368.68	-0.30	-96.79
O=C(NC1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653516	1	42	-2.0	-81.23	365.01	2.19	-79.04
O=C(NC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653539	0	43	-2.0	-83.25	357.79	-2.77	-86.02
CCN1[N-]C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)=CC1=O	REAL300029653599	0	46	-2.0	-87.73	379.69	1.30	-86.43
CN1[N-]C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)=CC1=O	REAL300029653616	0	43	-2.0	-87.03	357.88	0.36	-86.67
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029653626	0	43	-2.0	-87.73	374.97	-1.66	-89.39
O=C(CC1=CC(=O)N[N-]1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C12CCC2	REAL300029653746	1	43	-2.0	-92.04	358.61	-0.88	-92.92
O=C(NC1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653751	1	43	-2.0	-88.61	354.93	2.14	-86.47
O=C(NC1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653794	0	43	-2.0	-88.99	362.42	1.72	-87.27
O=C(NC1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C12CCC2)C1=CC(=O)[N-]O1	REAL300029653799	0	42	-2.0	-92.10	359.27	1.62	-90.48
CC1=C(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)C(=O)N(C)[N-]1	REAL300029653813	0	49	-2.0	-91.57	401.42	1.52	-90.05
CC1=CN=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C23CCC3)C([O-])=C1	REAL300029653849	1	45	-2.0	-96.98	368.47	2.79	-94.19
O=C(NC1CCN(C(=O)C2=CC([O-])=CS2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653870	0	40	-2.0	-93.67	342.45	0.54	-93.13
O=C(NC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C12CCC2)C1=CC(=O)[N-]O1	REAL300029653883	0	43	-2.0	-98.74	355.53	2.09	-96.65
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CCC2)C1=CN([O-])C(=O)NC1=O	REAL300029653913	0	43	-2.0	-86.06	361.03	0.04	-86.02
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)C1=COC(=O)[N-]1)CC2	REAL300029654333	1	48	-2.0	-92.21	378.79	1.34	-90.87
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)C1=CC(=O)N[N-]1)CC2	REAL300029654424	0	49	-2.0	-89.99	382.13	1.16	-88.83
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)C1=NC(=O)N[N-]1)CC2	REAL300029654506	0	48	-2.0	-92.49	378.18	0.60	-91.89
CC(C)C1N(C(=O)C2=COC(=O)[N-]2)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029654940	1	48	-2.0	-91.30	377.21	0.28	-91.02
CC(C)C1N(C(=O)C2=CC(=O)N[N-]2)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029655002	0	49	-2.0	-91.04	382.07	0.80	-90.24
CC(C)C1N(C(=O)C2=NC(=O)N[N-]2)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029655013	0	48	-2.0	-92.50	383.34	0.21	-92.29
CC(C)C1N(C(=O)C2=CC(=O)[N-]O2)CC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029655158	0	48	-2.0	-95.32	378.13	1.26	-94.06
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656065	0	41	-2.0	-83.95	373.64	-2.04	-85.99
O=C(CCCN1C(=O)[N-]NC1=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656615	0	42	-2.0	-92.74	379.18	-2.67	-95.41
CC(C)CN1[N-]C(CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029656811	0	48	-2.0	-98.22	414.04	1.10	-97.12
O=C(CCC1=NNC(=O)[N-]C1=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029656905	0	40	-2.0	-92.39	367.18	-5.32	-97.71
CC(=O)[N-]C1=NC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029656906	1	38	-2.0	-88.58	361.42	-1.82	-90.40
O=C(CCN1C=C[N-]C(=O)C1=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657120	1	41	-2.0	-99.94	372.93	-1.16	-101.10
COC1=C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029657265	1	39	-2.0	-95.26	356.61	-4.13	-99.39
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]C1=O	REAL300029657416	0	34	-2.0	-92.33	322.84	-5.44	-97.77
O=C(CN1C(=O)[N-]NC1=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657557	0	36	-2.0	-92.82	336.65	-3.86	-96.68
O=C(CN1[N-]C=C2C1=NC=NC2=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029657737	0	40	-2.0	-94.75	370.51	-0.90	-95.65
O=C([N-]CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)(F)C(F)F	REAL300029658633	0	34	-2.0	-86.98	337.25	-0.40	-87.38
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)C=C1	REAL300029658650	0	36	-2.0	-103.95	333.60	0.62	-103.33
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)NC([O-])=C1	REAL300029658858	0	36	-2.0	-89.62	334.38	-4.20	-93.82
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300029658875	1	32	-2.0	-92.51	306.46	-4.36	-96.87
O=C([N-]CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)(F)F	REAL300029659026	0	31	-2.0	-82.36	313.13	-1.10	-83.46
CCN1[N-]C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029659161	0	39	-2.0	-92.43	355.51	-0.81	-93.24
O=C(CC1=CC(=O)N[N-]1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659172	1	36	-2.0	-95.28	332.05	-2.83	-98.11
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=S)N1[O-]	REAL300029659199	0	36	-2.0	-117.34	342.54	2.73	-114.61
O=C(CC1SC(=O)[N-]C1=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659218	0	36	-2.0	-87.87	345.18	-4.31	-92.18
CN1N=C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029659238	0	35	-2.0	-95.21	328.64	-3.25	-98.46
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300029659386	0	34	-2.0	-84.28	315.51	-1.22	-85.50
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C2N=NN([O-])C2=C1	REAL300029659431	0	38	-2.0	-100.01	350.48	-0.79	-100.80
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300029659558	0	33	-2.0	-89.56	311.39	-3.47	-93.03
C[PH](C)([O-])C(=O)C(=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659563	0	38	-2.0	-87.14	343.77	-2.05	-89.19
O=C(CCC1=NC(=O)NN1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659607	0	38	-2.0	-101.54	346.90	-3.79	-105.33
O=C(CCC1=NC(=O)[N-]N1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029659607	1	38	-2.0	-101.54	346.90	-3.79	-105.33
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300029659617	0	36	-2.0	-107.05	331.51	0.85	-106.20
CSC1=NC=C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029659643	0	38	-2.0	-92.80	357.65	-1.35	-94.15
CSC1=NC=C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029659643	1	38	-2.0	-92.80	357.65	-1.35	-94.15
CC1SC(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029659671	0	35	-2.0	-100.17	337.83	-3.26	-103.43
CC1=C([O-])N=C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029659671	1	35	-2.0	-100.17	337.83	-3.26	-103.43
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)N1	REAL300029659695	0	35	-2.0	-86.35	341.55	-0.17	-86.52
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300029659695	1	35	-2.0	-86.35	341.55	-0.17	-86.52
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300029659723	0	36	-2.0	-105.19	334.41	0.59	-104.60
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300029659798	0	36	-2.0	-114.59	331.43	1.68	-112.91
O=C(C[N-]C(=O)C(F)(F)F)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029660016	0	35	-2.0	-87.84	341.51	-3.58	-91.42
NC1=NC([O-])=C(CC(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029660017	0	37	-2.0	-104.85	352.61	-4.33	-109.18
O=C(CC1=NC([O-])=CS1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029660096	0	35	-2.0	-105.66	337.90	-3.55	-109.21
O=C(CN1N=CC(=O)[N-]C1=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029660142	0	37	-2.0	-96.43	347.40	-4.99	-101.42
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C(Cl)C(=O)[N-]S1	REAL300029660242	0	32	-2.0	-90.46	328.96	-2.16	-92.62
COCC1=NC=C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029660382	0	41	-2.0	-92.26	369.34	-2.62	-94.88
COCC1=NC=C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029660382	1	41	-2.0	-92.26	369.34	-2.62	-94.88
CC1=CC(=O)C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029660505	0	37	-2.0	-92.15	340.11	0.34	-91.81
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]1	REAL300029660529	0	32	-2.0	-92.69	305.89	-4.92	-97.61
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029660560	0	37	-2.0	-90.97	348.58	-0.46	-91.43
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029660560	1	37	-2.0	-90.97	348.58	-0.46	-91.43
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C=N[O-])S1	REAL300029660723	0	35	-2.0	-101.86	346.77	-1.88	-103.74
CN1[N-]C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029661011	0	36	-2.0	-91.88	333.78	-1.74	-93.62
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300029661021	1	39	-2.0	-101.89	356.81	-1.25	-103.14
O=C(CSC1=NNC(=O)[N-]1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029661025	0	36	-2.0	-93.39	348.26	-3.55	-96.94
CC1=C(C(=O)NCC2(F)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029661026	1	38	-2.0	-104.39	361.70	-2.27	-106.66
O=C([N-]CC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)F	REAL300029661193	1	31	-2.0	-84.48	307.04	-1.23	-85.71
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300029661292	0	34	-2.0	-96.36	324.52	-6.53	-102.89
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300029661292	1	34	-2.0	-88.02	325.05	-5.69	-93.71
O=C(COC1=NC(=O)[N-]C(=O)N1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029661392	0	38	-2.0	-95.64	357.87	-7.31	-102.95
O=C(COC1=NC(=O)NC(=O)[N-]1)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029661392	1	38	-2.0	-88.79	357.82	-7.26	-96.05
O=C(CN1[N-]C(=O)C=CC1=O)NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029661571	0	38	-2.0	-94.03	353.17	-2.87	-96.90
O=C(NCC1(F)CN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029661820	1	35	-2.0	-101.14	322.35	0.28	-100.86
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029661951	1	41	-2.0	-100.37	375.13	-1.08	-101.45
CC(=O)[N-]C1=NC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029661969	1	38	-2.0	-87.57	360.95	-1.52	-89.09
O=C(NCC1(F)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029662010	0	34	-2.0	-93.80	321.95	-5.37	-99.17
COC1=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029662080	1	39	-2.0	-95.31	354.96	-4.10	-99.41
O=C(CN1C(=O)[N-]NC1=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029662291	0	36	-2.0	-94.37	339.01	-3.66	-98.03
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029662361	0	40	-2.0	-95.67	372.56	-0.77	-96.44
O=C(CCCN1C(=O)[N-]NC1=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029663557	0	42	-2.0	-93.61	381.69	-2.49	-96.10
CC(C)CN1[N-]C(CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029663768	0	48	-2.0	-99.57	415.92	1.22	-98.35
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664081	0	41	-2.0	-82.31	373.94	-1.59	-83.90
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029664983	0	40	-2.0	-92.02	369.39	-5.22	-97.24
O=C(NCC1(F)CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029664993	0	38	-2.0	-94.06	352.02	1.63	-92.43
O=C(NCC1(F)CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029665012	1	36	-2.0	-99.27	342.64	1.86	-97.41
N#CC1=CC([O-])=CC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029665053	1	37	-2.0	-89.00	346.61	0.11	-88.89
NC1=CC=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1Cl	REAL300029665090	0	38	-2.0	-103.87	354.71	-0.10	-103.97
O=C(NCC1(F)CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029665162	0	38	-2.0	-107.76	351.93	2.65	-105.11
O=C(NCC1(F)CN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029665231	1	32	-2.0	-91.63	306.17	-3.76	-95.39
O=C(NCC1(F)CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300029665328	0	38	-2.0	-106.94	355.09	1.35	-105.59
O=C(C[N-]C(=O)C(F)(F)F)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665348	0	35	-2.0	-89.05	343.40	-3.47	-92.52
NC1=NC([O-])=C(CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029665349	0	37	-2.0	-105.28	354.66	-4.21	-109.49
O=C(NCC1(F)CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300029665362	0	36	-2.0	-88.68	346.59	0.23	-88.45
O=C(NCC1(F)CN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300029665395	1	36	-2.0	-93.60	332.83	-0.04	-93.64
O=C(NCC1(F)CN(C(=O)C2=CC([O-])=C3SC=CC3=C2)C1)C1=CC(=O)[N-]O1	REAL300029665406	1	39	-2.0	-102.92	363.02	1.15	-101.77
O=C(NCC1(F)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300029665409	0	35	-2.0	-91.39	331.03	-0.66	-92.05
N#CC1=CC=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300029665424	1	37	-2.0	-92.24	346.22	0.23	-92.01
O=C(NCC1(F)CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029665430	0	35	-2.0	-94.71	336.05	0.07	-94.64
N#CC1=CC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=C(N)[N-]C1=O	REAL300029665439	0	38	-2.0	-92.14	361.36	-2.86	-95.00
O=C(CN1N=CC(=O)[N-]C1=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665460	0	37	-2.0	-96.90	349.36	-4.78	-101.68
CC1=CC=C([O-])C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029665573	1	38	-2.0	-101.84	343.96	0.87	-100.97
O=C(CCC1=NC(=O)[N-]N1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665577	1	38	-2.0	-100.52	349.42	-3.60	-104.12
O=C(NCC1(F)CN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300029665606	0	34	-2.0	-91.61	314.30	-0.48	-92.09
O=C(NCC1(F)CN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029665621	0	36	-2.0	-106.72	332.39	1.48	-105.24
O=C(NCC1(F)CN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029665779	1	36	-2.0	-104.13	332.69	-0.04	-104.17
O=C(NCC1(F)CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029665877	0	38	-2.0	-97.47	352.04	1.60	-95.87
O=C(NCC1(F)CN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029665956	0	33	-2.0	-89.68	311.01	-3.22	-92.90
C[PH](C)([O-])C(=O)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665964	0	38	-2.0	-88.91	343.71	-2.09	-91.00
CN1[N-]C(CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029665969	0	39	-2.0	-98.74	356.70	-0.99	-99.73
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029665999	0	41	-2.0	-105.81	378.92	1.46	-104.35
NC1=CC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=C(F)C([O-])=C1F	REAL300029666038	0	38	-2.0	-105.23	352.99	-2.10	-107.33
COCC1=NC=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029666049	1	41	-2.0	-95.26	377.64	-2.88	-98.14
CC1=CC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300029666059	0	41	-2.0	-94.28	372.06	2.32	-91.96
O=C(NCC1(F)CN(C(=O)C2=CC(F)=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029666088	0	36	-2.0	-98.70	338.80	1.53	-97.17
O=C(NCC1(F)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300029666125	0	36	-2.0	-105.78	332.03	0.36	-105.42
O=C(NCC1(F)CN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029666166	0	36	-2.0	-97.20	345.18	0.07	-97.13
O=C(NCC1(F)CN(C(=O)C2=NC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029666168	0	32	-2.0	-91.46	305.44	-4.32	-95.78
O=C(NCC1(F)CN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300029666174	1	36	-2.0	-99.58	349.52	0.61	-98.97
O=C(NCC1(F)CN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300029666184	0	36	-2.0	-108.50	339.94	0.66	-107.84
O=C(NCC1(F)CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029666233	1	36	-2.0	-93.56	346.39	0.19	-93.37
CC1=NC2=NC=C(C(=O)N3CC(F)(CNC(=O)C4=CC(=O)[N-]O4)C3)C(=O)N2[N-]1	REAL300029666328	0	40	-2.0	-93.92	371.92	1.61	-92.31
NC1=CC(=O)[N-]C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029666379	0	36	-2.0	-97.57	334.91	-3.76	-101.33
N#CC1=CN(CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C1=O	REAL300029666395	0	39	-2.0	-99.78	373.71	-2.59	-102.37
O=C(NCC1(F)CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1)C1=CC(=O)[N-]O1	REAL300029666472	0	36	-2.0	-91.43	342.03	0.37	-91.06
O=C(NCC1(F)CN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029666481	1	36	-2.0	-98.86	332.33	1.41	-97.45
CC1=CC=NC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029666597	1	38	-2.0	-101.14	342.67	0.97	-100.17
O=C(NCC1(F)CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029666666	0	36	-2.0	-103.24	348.28	1.91	-101.33
O=C(NCC1(F)CN(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029666808	1	35	-2.0	-95.26	321.12	-2.02	-97.28
O=C(NCC1(F)CN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300029666824	0	36	-2.0	-121.83	340.35	2.43	-119.40
NC1=CC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC([O-])=C1Cl	REAL300029667018	1	38	-2.0	-98.54	354.77	-1.70	-100.24
O=C(NCC1(F)CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=CC(=O)[N-]O1	REAL300029667023	0	35	-2.0	-87.73	340.98	-0.82	-88.55
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667101	0	40	-2.0	-95.00	364.29	-0.16	-95.16
O=C(NCC1(F)CN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300029667108	1	36	-2.0	-92.27	340.99	0.41	-91.86
N#CC1=CC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=C([O-])C=C1N	REAL300029667111	0	39	-2.0	-98.23	359.64	-0.37	-98.60
O=C(CC1=NC([O-])=CS1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667126	0	35	-2.0	-105.54	339.79	-3.42	-108.96
O=C(NCC1(F)CN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=CC(=O)[N-]O1	REAL300029667154	0	36	-2.0	-100.40	340.02	0.23	-100.17
O=C(CN1[N-]C(=O)C=CC1=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667158	0	38	-2.0	-96.00	355.06	-2.78	-98.78
O=C(NCC1(F)CN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029667163	0	36	-2.0	-101.00	332.57	1.49	-99.51
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667223	0	39	-2.0	-107.99	359.05	0.70	-107.29
O=C(CC1SC(=O)[N-]C1=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667338	0	36	-2.0	-87.24	346.93	-4.20	-91.44
O=C(NCC1(F)CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=CC(=O)[N-]O1	REAL300029667372	0	36	-2.0	-95.63	338.66	-0.03	-95.66
O=C(NCC1(F)CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029667376	1	37	-2.0	-86.00	356.24	-1.36	-87.36
O=C(NCC1(F)CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029667383	0	36	-2.0	-101.42	342.20	1.95	-99.47
CC1=CC(=O)C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029667427	0	37	-2.0	-93.64	339.11	0.51	-93.13
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667433	0	41	-2.0	-103.55	371.59	0.37	-103.18
O=C(NCC1(F)CN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300029667472	0	36	-2.0	-119.38	329.23	1.39	-117.99
N#CC1=CC=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029667522	0	36	-2.0	-96.75	349.22	-1.70	-98.45
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667523	0	38	-2.0	-95.12	360.39	-7.10	-102.22
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029667523	1	38	-2.0	-88.94	360.33	-7.05	-95.99
O=C(NCC1(F)CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300029667555	0	38	-2.0	-88.66	355.88	1.53	-87.13
CN1N=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029667605	0	35	-2.0	-95.75	328.40	-3.01	-98.76
[N-]=[N+]=NC1=CC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC=C1[O-]	REAL300029667652	0	38	-2.0	-88.58	353.82	-2.34	-90.92
O=C(NCC1(F)CN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C1=CC(=O)[N-]O1	REAL300029667699	0	37	-2.0	-96.78	350.76	-1.72	-98.50
O=C(NCC1(F)CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029667699	1	37	-2.0	-96.78	350.76	-1.72	-98.50
N#CC1=CC=C([O-])C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029667714	0	37	-2.0	-96.25	346.75	1.76	-94.49
O=C(NCC1(F)CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=CC(=O)[N-]O1	REAL300029667877	0	36	-2.0	-95.48	335.53	-0.90	-96.38
O=C(NCC1(F)CN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029667921	0	36	-2.0	-95.76	348.47	1.91	-93.85
O=C(NCC1(F)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029667961	1	36	-2.0	-100.69	332.27	-0.14	-100.83
O=C(NCC1(F)CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029667971	1	41	-2.0	-113.14	366.66	1.82	-111.32
O=C(NCC1(F)CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029667975	0	38	-2.0	-97.85	354.33	2.08	-95.77
O=C(NCC1(F)CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029667979	0	38	-2.0	-92.28	354.08	2.02	-90.26
O=C(NCC1(F)CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029667993	1	36	-2.0	-100.86	342.89	1.93	-98.93
O=C(NCC1(F)CN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029668025	0	38	-2.0	-88.41	353.96	0.39	-88.02
O=C(NCC1(F)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300029668134	0	34	-2.0	-87.80	324.61	-5.21	-93.01
O=C(NCC1(F)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029668134	1	34	-2.0	-87.80	324.61	-5.21	-93.01
O=C(NCC1(F)CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1)C1=CC(=O)[N-]O1	REAL300029668185	0	38	-2.0	-97.68	347.96	-1.21	-98.89
O=C(NCC1(F)CN(C(=O)C2=C(O)C3=CC=CC=C3C=N2)C1)C1=CC(=O)[N-]O1	REAL300029668234	0	41	-2.0	-105.36	367.89	2.72	-102.64
O=C(NCC1(F)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1)C1=CC(=O)[N-]O1	REAL300029668234	1	41	-2.0	-105.36	367.89	2.72	-102.64
O=C(NCC1(F)CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=CC(=O)[N-]O1	REAL300029668235	0	32	-2.0	-91.14	326.81	-2.22	-93.36
CC1=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029668307	0	39	-2.0	-89.11	360.49	-0.24	-89.35
O=C(NCC1(F)CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1)C1=CC(=O)[N-]O1	REAL300029668409	0	36	-2.0	-91.47	348.26	0.46	-91.01
O=C(NCC1(F)CN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029668418	0	37	-2.0	-90.05	345.88	-0.75	-90.80
O=C(NCC1(F)CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029668418	1	37	-2.0	-90.05	345.88	-0.75	-90.80
O=C(NCC1(F)CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1)C1=CC(=O)[N-]O1	REAL300029668428	0	38	-2.0	-92.68	354.56	-1.49	-94.17
O=C(NCC1(F)CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029668441	0	35	-2.0	-96.83	338.89	0.90	-95.93
O=C(CC1=CC=C(O)C(Cl)=C1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668448	0	39	-2.0	-97.90	370.94	1.40	-96.50
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668448	1	39	-2.0	-97.90	370.94	1.40	-96.50
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300029668522	0	32	-2.0	-94.47	305.71	-2.97	-97.44
CC1SC(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029668573	0	35	-2.0	-98.93	337.34	-2.92	-101.85
CC1=C([O-])N=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029668573	1	35	-2.0	-98.93	337.34	-2.92	-101.85
O=C(NCC1(F)CN(C(=O)C2=C(O)C=CC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300029668635	0	42	-2.0	-107.87	378.55	2.28	-105.59
O=C(NCC1(F)CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300029668635	1	42	-2.0	-107.87	378.55	2.28	-105.59
O=C(NCC1(F)CN(C(=O)C2=C(O)C3=CC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029668655	0	42	-2.0	-106.47	371.06	3.73	-102.74
O=C(NCC1(F)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029668655	1	42	-2.0	-106.47	371.06	3.73	-102.74
O=C(NCC1(F)CN(C(=O)C2=CC3=CC=CC=C3C=C2O)C1)C1=CC(=O)[N-]O1	REAL300029668664	0	42	-2.0	-110.11	371.96	3.64	-106.47
O=C(NCC1(F)CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029668664	1	42	-2.0	-110.11	371.96	3.64	-106.47
O=C(NCC1(F)CN(C(=O)C(=O)C2=CC=C(O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300029668724	0	38	-2.0	-91.08	348.40	-0.06	-91.14
O=C(NCC1(F)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300029668724	1	38	-2.0	-91.08	348.40	-0.06	-91.14
O=C(NCC1(F)CN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=CC(=O)[N-]O1	REAL300029668764	0	35	-2.0	-102.16	344.18	-2.01	-104.17
O=C(NCC1(F)CN(C(=O)C2=CC(=O)C=C(Cl)N2)C1)C1=CC(=O)[N-]O1	REAL300029668802	0	35	-2.0	-86.32	340.36	0.11	-86.21
O=C(NCC1(F)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029668802	1	35	-2.0	-86.32	340.36	0.11	-86.21
CSC1=NC=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029668833	0	38	-2.0	-95.22	366.02	-1.62	-96.84
CSC1=NC=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029668833	1	38	-2.0	-95.22	366.02	-1.62	-96.84
O=C(NCC1(F)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029668843	0	36	-2.0	-89.72	331.34	-4.55	-94.27
CCN1[N-]C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029668942	0	39	-2.0	-92.56	355.55	-0.57	-93.13
O=C(CNC(=O)C1=NC=CC=C1[O-])N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668954	1	42	-2.0	-103.16	384.30	-1.43	-104.59
CN1[N-]C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029668968	0	36	-2.0	-91.96	333.82	-1.50	-93.46
O=C(NCC1(F)CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1)C1=CC(=O)[N-]O1	REAL300029668982	1	39	-2.0	-107.15	357.13	-1.63	-108.78
O=C(CSC1=NNC(=O)[N-]1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029668987	0	36	-2.0	-92.86	350.47	-3.44	-96.30
CC1=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029668989	1	38	-2.0	-108.93	363.74	-2.14	-111.07
O=C(NCC1(F)CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300029669067	1	41	-2.0	-103.05	373.18	0.39	-102.66
O=C(CC1=CC(=O)N[N-]1)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029669195	1	36	-2.0	-96.51	333.94	-2.71	-99.22
O=C(NCC1(F)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029669202	1	36	-2.0	-95.24	332.23	-0.10	-95.34
O=C(NCC1(F)CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029669276	0	36	-2.0	-94.72	337.62	-0.03	-94.75
O=C(NCC1(F)CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029669282	0	35	-2.0	-98.37	335.37	0.10	-98.27
CC1=C(CC(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029669307	0	42	-2.0	-99.97	377.03	-0.25	-100.22
O=C(CCC(=O)N1CC(F)(CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C([O-])C=C1	REAL300029669319	1	44	-2.0	-93.13	396.60	1.58	-91.55
CC1=CN=C(C(=O)N2CC(F)(CNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029669363	1	38	-2.0	-102.07	344.14	1.02	-101.05
O=C(NCC1(F)CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029669382	0	37	-2.0	-102.22	360.48	-2.16	-104.38
O=C(NCC1(F)CN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300029669408	0	33	-2.0	-98.97	317.95	-1.18	-100.15
O=C(NCC1(F)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300029669436	0	36	-2.0	-104.68	331.61	0.37	-104.31
O=C(NCC1(F)CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029669444	0	36	-2.0	-94.96	348.60	2.02	-92.94
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)NC1=O	REAL300029669502	0	36	-2.0	-90.93	336.77	-1.67	-92.60
O=C(NCC1(F)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029669542	1	37	-2.0	-83.50	347.93	-1.14	-84.64
CC1(C)C[C@@H](CNC(=O)C2=NNC(=O)[N-]C2=O)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670882	0	43	-2.0	-96.91	367.96	-3.66	-100.57
CC1(C)C[C@@H](CNC(=O)CN2C(=O)[N-]NC2=O)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029670978	0	45	-2.0	-100.71	382.25	-2.00	-102.71
CC1(C)C[C@@H](CNC(=O)C2=CN([O-])C(=O)C=C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671631	0	45	-2.0	-107.69	379.24	2.51	-105.18
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)NC([O-])=C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671753	0	45	-2.0	-89.36	380.54	-2.45	-91.81
CC1(C)C[C@@H](CNC(=O)C2=COC(=O)[N-]2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671764	1	41	-2.0	-88.58	351.60	-2.59	-91.17
CC1(C)C[C@@H](C[N-]C(=O)C(F)(F)C(F)(F)F)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671859	1	40	-2.0	-96.88	353.04	2.50	-94.38
CCN1[N-]C(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029671942	0	48	-2.0	-94.51	400.96	1.04	-93.47
CC1(C)C[C@@H](CNC(=O)CC2=CC(=O)N[N-]2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671950	1	45	-2.0	-104.61	378.07	-0.98	-105.59
CC1(C)C[C@@H](CNC(=O)C2=CC=CC(=S)N2[O-])N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671969	0	45	-2.0	-130.66	387.79	4.55	-126.11
CC1(C)C[C@@H](CNC(=O)CC2SC(=O)[N-]C2=O)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029671979	0	45	-2.0	-90.23	390.60	-2.46	-92.69
CN1N=C(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029671995	0	44	-2.0	-97.42	373.76	-1.39	-98.81
CC1(C)C[C@@H](CNC(=O)C2=C[N-]N=CC2=O)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672087	0	43	-2.0	-97.71	352.03	2.55	-95.16
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)N[N-]2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672197	0	42	-2.0	-90.57	356.41	-1.60	-92.17
CC1(C)C[C@@H](CNC(=O)C(=O)[PH](C)(C)[O-])N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672202	0	47	-2.0	-90.44	390.57	-0.09	-90.53
CC1(C)C[C@@H](CNC(=O)CCC2=NC(=O)NN2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672231	0	47	-2.0	-99.45	392.50	-1.93	-101.38
CC1(C)C[C@@H](CNC(=O)CCC2=NC(=O)[N-]N2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672231	1	47	-2.0	-99.45	392.50	-1.93	-101.38
CC1(C)C[C@@H](CNC(=O)C2=CC=CN([O-])C2=O)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672236	0	45	-2.0	-99.06	376.67	2.62	-96.44
CC1SC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300029672267	0	44	-2.0	-93.31	383.37	-1.47	-94.78
CC1=C([O-])N=C(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300029672267	1	44	-2.0	-93.31	383.37	-1.47	-94.78
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)C=C(Cl)N2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672281	0	44	-2.0	-86.76	386.76	1.72	-85.04
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)C=C(Cl)[N-]2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672281	1	44	-2.0	-86.76	386.76	1.72	-85.04
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)N([O-])C=C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672300	0	45	-2.0	-108.55	380.44	2.47	-106.08
CC1(C)C[C@@H](CNC(=O)C2=CC=CC(=O)N2[O-])N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672339	0	45	-2.0	-127.20	376.68	3.51	-123.69
CC1(C)C[C@@H](CNC(=O)CC2=C([O-])N=C(N)S2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672470	0	46	-2.0	-114.89	397.91	-2.55	-117.44
CC1(C)C[C@@H](CNC(=O)CC2=NC([O-])=CS2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672518	0	44	-2.0	-115.13	383.08	-1.68	-116.81
CCC1=NC=C(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029672536	0	49	-2.0	-89.23	401.57	0.92	-88.31
CCC1=NC=C(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029672536	1	49	-2.0	-89.23	401.57	0.92	-88.31
CC1=CC(=O)C(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029672766	0	46	-2.0	-96.09	385.32	2.24	-93.85
CC1(C)C[C@@H](CNC(=O)C2=NNC(=O)[N-]2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672782	0	41	-2.0	-94.05	350.92	-3.05	-97.10
CC1(C)C[C@@H](CNC(=O)C2=CN=C(C=N[O-])S2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029672904	0	44	-2.0	-100.77	391.98	0.01	-100.76
COC1=NC(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300029672919	0	47	-2.0	-94.26	397.32	-3.56	-97.82
CN1[N-]C(C(=O)NC[C@@H]2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029673083	0	45	-2.0	-93.51	379.15	0.11	-93.40
CC1(C)C[C@@H](CNC(=O)CSC2=NNC(=O)[N-]2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029673090	0	45	-2.0	-95.87	394.39	-1.79	-97.66
CC1(C)C[C@@H](CNC(=O)C2=NC(=O)[N-]C(=O)N2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029673257	0	43	-2.0	-89.19	369.54	-4.65	-93.84
CC1(C)C[C@@H](CNC(=O)C2=NC(=O)NC(=O)[N-]2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029673257	1	43	-2.0	-86.45	371.20	-3.92	-90.37
CC1(C)C[C@@H](CNC(=O)CN2[N-]C(=O)C=CC2=O)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029673416	0	47	-2.0	-102.07	399.19	-1.04	-103.11
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=NC=CC=C2[O-])C1	REAL300029673669	1	44	-2.0	-106.37	369.33	2.40	-103.97
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300029673789	0	43	-2.0	-95.83	368.92	-3.43	-99.26
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300029673945	0	45	-2.0	-98.81	385.76	-1.92	-100.73
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300029675185	1	45	-2.0	-114.77	382.74	4.33	-110.44
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300029675209	1	46	-2.0	-92.62	391.93	2.65	-89.97
CCC1=NC=C(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029675283	1	49	-2.0	-102.09	400.34	1.38	-100.71
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=COC(=O)[N-]2)C1	REAL300029675299	1	41	-2.0	-88.34	351.32	-1.34	-89.68
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300029675369	0	44	-2.0	-89.73	389.94	-1.58	-91.31
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300029675370	0	46	-2.0	-114.03	401.53	-2.43	-116.46
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300029675391	1	45	-2.0	-103.59	372.83	2.57	-101.02
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300029675397	0	44	-2.0	-88.65	377.72	1.12	-87.53
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300029675404	1	46	-2.0	-110.28	388.03	2.89	-107.39
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300029675407	0	44	-2.0	-110.59	377.94	2.48	-108.11
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300029675421	0	46	-2.0	-103.17	395.84	-3.01	-106.18
CC1=CC=C([O-])C(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029675480	1	47	-2.0	-107.68	391.02	2.96	-104.72
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CCC2=NNC(=O)[N-]2)C1	REAL300029675481	0	47	-2.0	-93.33	396.11	-1.30	-94.63
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=C[N-]N=CC2=O)C1	REAL300029675499	0	43	-2.0	-94.51	358.77	1.09	-93.42
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300029675507	0	45	-2.0	-124.56	372.32	3.92	-120.64
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300029675595	1	45	-2.0	-120.03	372.63	2.56	-117.47
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(=O)N[N-]2)C1	REAL300029675687	0	42	-2.0	-90.59	356.16	-1.26	-91.85
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300029675692	0	47	-2.0	-90.73	390.70	0.04	-90.69
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300029675776	0	45	-2.0	-116.38	373.77	3.06	-113.32
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=NNC(=O)[N-]2)C1	REAL300029675802	0	41	-2.0	-93.57	351.05	-2.71	-96.28
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300029675807	0	45	-2.0	-112.80	375.72	3.07	-109.73
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=NC(N)=CC(=O)[N-]2)C1	REAL300029675904	0	45	-2.0	-101.00	380.24	-1.56	-102.56
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300029675949	0	45	-2.0	-100.31	383.96	3.04	-97.27
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300029675954	1	45	-2.0	-113.65	372.42	3.89	-109.76
CC1=CC=NC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300029676014	1	47	-2.0	-107.55	388.42	3.11	-104.44
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CN=CC([O-])=C2)C1	REAL300029676122	1	44	-2.0	-110.13	362.30	0.48	-109.65
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300029676132	0	45	-2.0	-121.87	393.26	3.73	-118.14
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300029676238	0	44	-2.0	-85.24	386.39	1.29	-83.95
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300029676281	1	45	-2.0	-101.34	381.00	3.02	-98.32
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1	REAL300029676282	0	48	-2.0	-111.83	399.81	2.11	-109.72
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC2=NC([O-])=CS2)C1	REAL300029676289	0	44	-2.0	-112.06	386.34	-1.52	-113.58
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300029676303	0	47	-2.0	-99.13	401.98	-0.92	-100.05
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300029676304	0	45	-2.0	-117.67	372.55	3.90	-113.77
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300029676391	0	45	-2.0	-88.96	393.82	-2.33	-91.29
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300029676411	0	45	-2.0	-106.00	378.88	2.64	-103.36
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300029676418	0	45	-2.0	-118.44	382.12	4.38	-114.06
CC1=CC(=O)C(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029676442	0	46	-2.0	-96.74	384.79	2.48	-94.26
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300029676462	0	45	-2.0	-120.37	382.15	3.08	-117.29
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300029676484	0	45	-2.0	-96.98	386.86	0.86	-96.12
CN1N=C(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029676531	0	44	-2.0	-97.93	373.79	-1.05	-98.98
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300029676581	0	46	-2.0	-109.50	386.89	4.22	-105.28
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300029676666	0	45	-2.0	-101.16	385.17	0.67	-100.49
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300029676714	0	45	-2.0	-115.45	374.20	2.52	-112.93
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300029676714	1	45	-2.0	-115.45	374.20	2.52	-112.93
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C(Cl)C=C2O)C1	REAL300029676730	0	45	-2.0	-117.49	382.86	4.35	-113.14
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300029676730	1	45	-2.0	-117.49	382.86	4.35	-113.14
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300029676790	0	43	-2.0	-89.16	370.48	-3.76	-92.92
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300029676790	1	43	-2.0	-86.04	371.10	-2.99	-89.03
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300029676839	1	45	-2.0	-102.34	373.77	-0.26	-102.60
CC1=C(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300029676860	0	48	-2.0	-83.70	406.05	2.02	-81.68
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300029676872	0	45	-2.0	-118.88	378.83	2.63	-116.25
COC1=NC(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300029676917	0	47	-2.0	-94.66	396.04	-2.78	-97.44
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300029676923	0	44	-2.0	-103.46	384.21	2.92	-100.54
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300029676954	0	45	-2.0	-111.43	383.99	3.01	-108.42
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=NC=C2[O-])C1	REAL300029676962	0	44	-2.0	-117.64	361.09	2.05	-115.59
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029676967	0	41	-2.0	-93.00	351.18	-1.11	-94.11
CC1=C([O-])N=C(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300029676987	1	44	-2.0	-93.79	384.10	-0.67	-94.46
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300029677074	1	47	-2.0	-92.43	393.80	1.91	-90.52
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300029677094	0	44	-2.0	-109.49	385.64	0.50	-108.99
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300029677114	1	44	-2.0	-86.85	387.33	2.27	-84.58
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300029677136	0	45	-2.0	-98.24	373.95	-1.88	-100.12
CCN1[N-]C(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029677193	0	48	-2.0	-94.18	402.01	1.34	-92.84
CN1[N-]C(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029677209	0	45	-2.0	-93.09	380.18	0.38	-92.71
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300029677218	0	45	-2.0	-92.46	396.75	-1.61	-94.07
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300029677329	1	45	-2.0	-100.41	380.49	-0.81	-101.22
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300029677334	1	45	-2.0	-104.42	374.17	2.56	-101.86
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300029677372	0	45	-2.0	-101.77	380.77	2.48	-99.29
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300029677376	0	44	-2.0	-115.53	377.24	2.50	-113.03
CC1=C(CC(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300029677390	0	51	-2.0	-101.85	423.58	1.53	-100.32
CC1=CN=C(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300029677426	1	47	-2.0	-109.20	389.50	3.03	-106.17
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC([O-])=CS2)C1	REAL300029677447	0	42	-2.0	-114.01	359.68	1.33	-112.68
CC1(C)C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300029677460	0	45	-2.0	-117.02	373.55	3.02	-114.00
CC1(C)C[C@@H](CNC(=O)C2=CN([O-])C(=O)NC2=O)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029677487	0	45	-2.0	-90.54	381.89	0.12	-90.42
CC1(C)CC(CNC(=O)C2=NNC(=O)[N-]C2=O)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678821	0	43	-2.0	-95.90	368.12	-3.65	-99.55
CC1(C)CC(CNC(=O)CN2C(=O)[N-]NC2=O)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029678917	0	45	-2.0	-100.70	382.06	-2.03	-102.73
CC1(C)CC(CNC(=O)C2=CN([O-])C(=O)C=C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679570	0	45	-2.0	-107.63	379.20	2.48	-105.15
CC1(C)CC(CNC(=O)C2=CC(=O)NC([O-])=C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679692	0	45	-2.0	-89.29	380.55	-2.45	-91.74
CC1(C)CC(CNC(=O)C2=COC(=O)[N-]2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679703	1	41	-2.0	-88.73	352.64	-2.61	-91.34
CC1(C)CC(C[N-]C(=O)C(F)(F)C(F)(F)F)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679798	1	40	-2.0	-97.35	354.41	2.53	-94.82
CCN1[N-]C(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029679881	0	48	-2.0	-94.75	402.02	1.03	-93.72
CC1(C)CC(CNC(=O)CC2=CC(=O)N[N-]2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679889	1	45	-2.0	-104.24	377.06	-0.99	-105.23
CC1(C)CC(CNC(=O)C2=CC=CC(=S)N2[O-])N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679908	0	45	-2.0	-132.28	387.65	4.50	-127.78
CC1(C)CC(CNC(=O)CC2SC(=O)[N-]C2=O)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029679918	0	45	-2.0	-91.98	390.81	-2.44	-94.42
CN1N=C(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029679934	0	44	-2.0	-96.50	373.81	-1.38	-97.88
CC1(C)CC(CNC(=O)C2=C[N-]N=CC2=O)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680026	0	43	-2.0	-98.64	354.32	2.16	-96.48
CC1(C)CC(CNC(=O)C2=CC(=O)N[N-]2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680136	0	42	-2.0	-89.77	356.56	-1.59	-91.36
CC1(C)CC(CNC(=O)C(=O)[PH](C)(C)[O-])N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680141	0	47	-2.0	-90.52	390.56	-0.08	-90.60
CC1(C)CC(CNC(=O)CCC2=NC(=O)NN2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680170	0	47	-2.0	-99.47	392.49	-1.92	-101.39
CC1(C)CC(CNC(=O)CCC2=NC(=O)[N-]N2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680170	1	47	-2.0	-99.47	392.49	-1.92	-101.39
CC1(C)CC(CNC(=O)C2=CC=CN([O-])C2=O)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680175	0	45	-2.0	-124.09	369.74	4.27	-119.82
CC1SC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300029680206	0	44	-2.0	-93.54	383.11	-1.47	-95.01
CC1=C([O-])N=C(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300029680206	1	44	-2.0	-93.54	383.11	-1.47	-95.01
CC1(C)CC(CNC(=O)C2=CC(=O)C=C(Cl)N2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680220	0	44	-2.0	-87.71	386.54	1.68	-86.03
CC1(C)CC(CNC(=O)C2=CC(=O)C=C(Cl)[N-]2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680220	1	44	-2.0	-87.71	386.54	1.68	-86.03
CC1(C)CC(CNC(=O)C2=CC(=O)N([O-])C=C2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680239	0	45	-2.0	-107.28	379.57	2.47	-104.81
CC1(C)CC(CNC(=O)C2=CC=CC(=O)N2[O-])N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680278	0	45	-2.0	-128.73	376.53	3.46	-125.27
CC1(C)CC(CNC(=O)CC2=C([O-])N=C(N)S2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680409	0	46	-2.0	-109.36	398.03	-2.54	-111.90
CC1(C)CC(CNC(=O)CC2=NC([O-])=CS2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680457	0	44	-2.0	-115.14	383.08	-1.68	-116.82
CCC1=NC=C(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300029680475	0	49	-2.0	-108.36	394.77	2.74	-105.62
CCC1=NC=C(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029680475	1	49	-2.0	-108.36	394.77	2.74	-105.62
CC1=CC(=O)C(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029680705	0	46	-2.0	-97.50	386.21	2.20	-95.30
CC1(C)CC(CNC(=O)C2=NNC(=O)[N-]2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680721	0	41	-2.0	-94.39	351.96	-3.07	-97.46
CC1(C)CC(CNC(=O)C2=CN=C(C=N[O-])S2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029680843	0	44	-2.0	-101.63	392.87	-0.03	-101.66
COC1=NC(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300029680858	0	47	-2.0	-95.47	398.21	-3.60	-99.07
CN1[N-]C(C(=O)NCC2CC(C)(C)CN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029681022	0	45	-2.0	-93.78	380.29	0.09	-93.69
CC1(C)CC(CNC(=O)CSC2=NNC(=O)[N-]2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029681029	0	45	-2.0	-94.81	393.54	-1.77	-96.58
CC1(C)CC(CNC(=O)C2=NC(=O)[N-]C(=O)N2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029681196	0	43	-2.0	-89.32	370.61	-4.67	-93.99
CC1(C)CC(CNC(=O)C2=NC(=O)NC(=O)[N-]2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029681196	1	43	-2.0	-85.65	370.46	-3.89	-89.54
CC1(C)CC(CNC(=O)CN2[N-]C(=O)C=CC2=O)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029681355	0	47	-2.0	-100.55	398.35	-1.03	-101.58
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=NC=CC=C2[O-])C1	REAL300029681608	1	44	-2.0	-106.54	369.35	2.36	-104.18
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300029681728	0	43	-2.0	-95.83	368.94	-3.42	-99.25
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300029681884	0	45	-2.0	-97.82	385.44	-1.91	-99.73
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300029683124	1	45	-2.0	-114.82	383.18	4.29	-110.53
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300029683148	1	46	-2.0	-92.68	392.03	2.66	-90.02
CCC1=NC=C(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029683222	1	49	-2.0	-102.38	401.06	1.35	-101.03
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=COC(=O)[N-]2)C1	REAL300029683238	1	41	-2.0	-87.84	351.46	-1.35	-89.19
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300029683308	0	44	-2.0	-90.79	390.22	-1.63	-92.42
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300029683309	0	46	-2.0	-113.04	400.95	-2.41	-115.45
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300029683330	1	45	-2.0	-103.50	372.78	2.53	-100.97
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300029683336	0	44	-2.0	-89.16	376.43	1.12	-88.04
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300029683343	1	46	-2.0	-94.63	388.20	2.90	-91.73
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300029683346	0	44	-2.0	-110.49	377.93	2.48	-108.01
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300029683360	0	46	-2.0	-103.31	395.79	-3.03	-106.34
CC1=CC=C([O-])C(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029683419	1	47	-2.0	-107.63	390.99	2.93	-104.70
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CCC2=NNC(=O)[N-]2)C1	REAL300029683420	0	47	-2.0	-93.20	396.10	-1.26	-94.46
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=C[N-]N=CC2=O)C1	REAL300029683438	0	43	-2.0	-95.50	360.67	1.02	-94.48
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300029683446	0	45	-2.0	-124.44	372.27	3.88	-120.56
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300029683534	1	45	-2.0	-119.85	372.58	2.54	-117.31
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(=O)N[N-]2)C1	REAL300029683626	0	42	-2.0	-89.88	356.33	-1.26	-91.14
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300029683631	0	47	-2.0	-92.24	390.68	0.04	-92.20
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300029683715	0	45	-2.0	-116.26	373.83	3.04	-113.22
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=NNC(=O)[N-]2)C1	REAL300029683741	0	41	-2.0	-93.96	352.13	-2.80	-96.76
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300029683746	0	45	-2.0	-112.96	375.70	3.10	-109.86
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300029683888	0	45	-2.0	-98.01	384.06	3.02	-94.99
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300029683893	1	45	-2.0	-113.79	372.87	3.85	-109.94
CC1=CC=NC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300029683953	1	47	-2.0	-106.55	389.70	3.05	-103.50
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CN=CC([O-])=C2)C1	REAL300029684061	1	44	-2.0	-108.15	362.81	0.59	-107.56
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300029684071	0	45	-2.0	-142.69	382.78	4.82	-137.87
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300029684177	0	44	-2.0	-85.10	387.69	1.22	-83.88
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300029684220	1	45	-2.0	-101.33	381.01	2.97	-98.36
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1	REAL300029684221	0	48	-2.0	-112.06	400.12	2.08	-109.98
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC2=NC([O-])=CS2)C1	REAL300029684228	0	44	-2.0	-113.01	386.14	-1.55	-114.56
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300029684242	0	47	-2.0	-98.33	401.55	-0.91	-99.24
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300029684243	0	45	-2.0	-117.17	372.53	3.82	-113.35
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300029684330	0	45	-2.0	-89.92	393.56	-2.32	-92.24
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300029684350	0	45	-2.0	-105.96	379.14	2.52	-103.44
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300029684357	0	45	-2.0	-118.27	382.07	4.35	-113.92
CC1=CC(=O)C(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029684381	0	46	-2.0	-96.08	386.17	2.49	-93.59
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300029684401	0	45	-2.0	-139.38	371.67	3.83	-135.55
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300029684423	0	45	-2.0	-95.46	385.28	0.90	-94.56
CN1N=C(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029684470	0	44	-2.0	-97.23	374.93	-1.11	-98.34
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300029684520	0	46	-2.0	-109.56	386.87	4.22	-105.34
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300029684605	0	45	-2.0	-100.43	380.52	0.57	-99.86
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300029684653	0	45	-2.0	-99.09	374.27	2.51	-96.58
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300029684653	1	45	-2.0	-99.09	374.27	2.51	-96.58
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C(Cl)C=C2O)C1	REAL300029684669	0	45	-2.0	-117.08	382.86	4.26	-112.82
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300029684669	1	45	-2.0	-117.08	382.86	4.26	-112.82
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300029684729	0	43	-2.0	-89.15	370.54	-3.75	-92.90
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300029684729	1	43	-2.0	-85.47	369.96	-2.91	-88.38
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300029684778	1	45	-2.0	-102.67	374.48	-0.27	-102.94
CC1=C(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300029684799	0	48	-2.0	-83.80	406.08	2.02	-81.78
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300029684811	0	45	-2.0	-119.00	379.10	2.52	-116.48
COC1=NC(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300029684856	0	47	-2.0	-94.70	396.11	-2.76	-97.46
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300029684862	0	44	-2.0	-102.49	385.57	2.89	-99.60
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300029684893	0	45	-2.0	-96.01	384.05	3.02	-92.99
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=NC=C2[O-])C1	REAL300029684901	0	44	-2.0	-116.26	361.82	1.87	-114.39
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029684906	0	41	-2.0	-93.23	352.23	-1.13	-94.36
CC1=C([O-])N=C(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300029684926	1	44	-2.0	-93.19	383.28	-0.57	-93.76
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300029685013	1	47	-2.0	-91.42	395.28	1.90	-89.52
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300029685033	0	44	-2.0	-109.73	385.92	0.46	-109.27
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300029685053	1	44	-2.0	-86.95	387.40	2.25	-84.70
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300029685075	0	45	-2.0	-96.71	376.80	-1.94	-98.65
CCN1[N-]C(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029685132	0	48	-2.0	-94.17	402.01	1.35	-92.82
CN1[N-]C(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029685148	0	45	-2.0	-93.20	380.23	0.41	-92.79
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300029685157	0	45	-2.0	-92.44	396.87	-1.59	-94.03
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300029685268	1	45	-2.0	-100.53	380.43	-0.84	-101.37
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300029685273	1	45	-2.0	-100.73	374.26	2.54	-98.19
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300029685311	0	45	-2.0	-100.07	383.61	2.44	-97.63
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300029685315	0	44	-2.0	-115.39	377.26	2.50	-112.89
CC1=C(CC(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300029685329	0	51	-2.0	-101.08	423.25	1.57	-99.51
CC1=CN=C(C(=O)N2CC(C)(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300029685365	1	47	-2.0	-108.12	390.80	3.00	-105.12
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CC([O-])=CS2)C1	REAL300029685386	0	42	-2.0	-113.94	359.48	1.35	-112.59
CC1(C)CC(CNC(=O)C2=CC(=O)[N-]O2)N(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300029685399	0	45	-2.0	-117.73	373.93	2.81	-114.92
CC1(C)CC(CNC(=O)C2=CN([O-])C(=O)NC2=O)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029685426	0	45	-2.0	-100.13	375.34	1.83	-98.30
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C2CC2)[N-]C1=O	REAL300029685975	1	45	-2.0	-91.97	384.27	1.34	-90.63
O=C(CCCN1C(=O)[N-]NC1=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029686741	0	46	-2.0	-91.07	396.25	-0.99	-92.06
O=C(CCC1=NNC(=O)[N-]C1=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687000	0	44	-2.0	-90.70	382.82	-3.65	-94.35
CC(=O)[N-]C1=NC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CS1	REAL300029687001	1	42	-2.0	-86.82	378.17	-0.23	-87.05
O=C(CCN1C=C[N-]C(=O)C1=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687191	1	45	-2.0	-96.98	389.69	0.43	-96.55
COC1=C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)NC(=O)[N-]C1=O	REAL300029687327	1	43	-2.0	-93.02	373.37	-2.53	-95.55
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NNC(=O)[N-]C1=O	REAL300029687468	0	38	-2.0	-96.17	339.77	-4.01	-100.18
O=C(CN1C(=O)[N-]NC1=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029687601	0	40	-2.0	-91.40	352.60	-2.12	-93.52
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)C=C1	REAL300029688622	0	40	-2.0	-101.75	350.69	2.29	-99.46
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)NC([O-])=C1	REAL300029688813	0	40	-2.0	-86.64	350.03	-2.55	-89.19
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=COC(=O)[N-]1	REAL300029688827	1	36	-2.0	-90.75	323.22	-2.78	-93.53
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C2CCC2)[N-]C1=O	REAL300029688884	1	48	-2.0	-91.97	400.03	1.89	-90.08
O=C([N-]CC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C(F)(F)C(F)(F)F	REAL300029688963	1	35	-2.0	-79.82	330.06	0.83	-78.99
CCN1[N-]C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029689090	0	43	-2.0	-89.24	371.47	0.92	-88.32
O=C(CC1=CC(=O)N[N-]1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689099	1	40	-2.0	-94.31	347.59	-1.08	-95.39
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=S)N1[O-]	REAL300029689124	0	40	-2.0	-115.82	359.25	4.33	-111.49
O=C(CC1SC(=O)[N-]C1=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689142	0	40	-2.0	-92.82	362.00	-2.81	-95.63
CN1N=C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300029689161	0	39	-2.0	-93.11	345.30	-1.58	-94.69
CC1=C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)NC(C2CC2)=N1	REAL300029689280	0	48	-2.0	-93.36	400.62	1.95	-91.41
CC1=C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]C(C2CC2)=N1	REAL300029689280	1	48	-2.0	-93.36	400.62	1.95	-91.41
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]N=CC1=O	REAL300029689295	0	38	-2.0	-82.99	332.27	0.38	-82.61
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C2N=NN([O-])C2=C1	REAL300029689337	0	42	-2.0	-97.83	367.25	0.81	-97.02
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N[N-]1	REAL300029689450	0	37	-2.0	-87.56	328.05	-1.79	-89.35
C[PH](C)([O-])C(=O)C(=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689455	0	42	-2.0	-89.49	360.96	-0.64	-90.13
O=C(CCC1=NC(=O)NN1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689497	0	42	-2.0	-99.23	363.98	-2.12	-101.35
O=C(CCC1=NC(=O)[N-]N1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689497	1	42	-2.0	-99.23	363.98	-2.12	-101.35
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CN([O-])C1=O	REAL300029689506	0	40	-2.0	-106.17	348.28	2.44	-103.73
CSC1=NC=C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300029689527	0	42	-2.0	-88.45	373.27	0.35	-88.10
CSC1=NC=C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029689527	1	42	-2.0	-88.45	373.27	0.35	-88.10
CC1SC(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300029689553	0	39	-2.0	-98.50	354.59	-1.67	-100.17
CC1=C([O-])N=C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029689553	1	39	-2.0	-98.50	354.59	-1.67	-100.17
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)C=C(Cl)N1	REAL300029689577	0	39	-2.0	-84.42	358.20	1.51	-82.91
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)C=C(Cl)[N-]1	REAL300029689577	1	39	-2.0	-84.42	358.20	1.51	-82.91
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N([O-])C=C1	REAL300029689604	0	40	-2.0	-102.84	351.06	2.28	-100.56
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=O)N1[O-]	REAL300029689671	0	40	-2.0	-113.20	348.13	3.30	-109.90
O=C(C[N-]C(=O)C(F)(F)F)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689872	0	39	-2.0	-86.04	358.17	-1.90	-87.94
NC1=NC([O-])=C(CC(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029689873	0	41	-2.0	-105.08	368.25	-2.66	-107.74
O=C(CC1=NC([O-])=CS1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689941	0	39	-2.0	-105.64	353.44	-1.80	-107.44
CCC1=NC=C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029689970	1	44	-2.0	-90.59	373.19	0.75	-89.84
O=C(CN1N=CC(=O)[N-]C1=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029689983	0	41	-2.0	-95.09	364.07	-3.31	-98.40
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C(Cl)C(=O)[N-]S1	REAL300029690072	0	36	-2.0	-88.23	345.62	-0.49	-88.72
COCC1=NC=C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300029690199	0	45	-2.0	-91.19	386.12	-1.01	-92.20
COCC1=NC=C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029690199	1	45	-2.0	-91.19	386.12	-1.01	-92.20
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(CC2CC2)NC1=O	REAL300029690212	0	48	-2.0	-87.37	402.93	2.43	-84.94
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(CC2CC2)[N-]C1=O	REAL300029690212	1	48	-2.0	-87.37	402.93	2.43	-84.94
CC1=CC(=O)C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300029690311	0	41	-2.0	-96.69	356.93	1.85	-94.84
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)N[N-]1	REAL300029690334	0	36	-2.0	-92.23	322.81	-3.25	-95.48
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029690363	0	41	-2.0	-87.72	364.11	1.30	-86.42
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029690363	1	41	-2.0	-87.72	364.11	1.30	-86.42
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C=N[O-])S1	REAL300029690514	0	39	-2.0	-102.32	363.59	-0.38	-102.70
CN1[N-]C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029690779	0	40	-2.0	-89.86	350.87	-0.07	-89.93
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC2=C1C(=O)NC2=O	REAL300029690790	0	43	-2.0	-109.68	373.74	0.18	-109.50
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300029690790	1	43	-2.0	-109.68	373.74	0.18	-109.50
O=C(CSC1=NNC(=O)[N-]1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029690794	0	40	-2.0	-91.26	365.03	-1.95	-93.21
CC1=C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=S)NC(=O)N1	REAL300029690795	0	42	-2.0	-98.54	377.34	-0.60	-99.14
CC1=C(C(=O)NCC23CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=S)[N-]C(=O)N1	REAL300029690795	1	42	-2.0	-98.54	377.34	-0.60	-99.14
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)[N-]C(=O)N1	REAL300029691030	0	38	-2.0	-86.24	341.82	-4.07	-90.31
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)NC(=O)[N-]1	REAL300029691030	1	38	-2.0	-86.24	341.82	-4.07	-90.31
O=C(COC1=NC(=O)[N-]C(=O)N1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029691116	0	42	-2.0	-86.87	374.89	-5.58	-92.45
O=C(COC1=NC(=O)NC(=O)[N-]1)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029691116	1	42	-2.0	-86.87	374.89	-5.58	-92.45
O=C(CN1[N-]C(=O)C=CC1=O)NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029691277	0	42	-2.0	-92.38	368.71	-1.13	-93.51
O=C(NCC12CC1CN(C(=O)C1=NC=CC=C1O)C2)C1=CC(=O)[N-]O1	REAL300029691535	0	39	-2.0	-100.32	339.78	2.27	-98.05
O=C(NCC12CC1CN(C(=O)C1=NC=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029691535	1	39	-2.0	-100.32	339.78	2.27	-98.05
O=C(CCN1C=CNC(=O)C1=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029691662	0	45	-2.0	-112.99	393.46	0.23	-112.76
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029691662	1	45	-2.0	-112.99	393.46	0.23	-112.76
CC(=O)NC1=NC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029691680	0	42	-2.0	-84.48	377.89	0.40	-84.08
CC(=O)[N-]C1=NC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029691680	1	42	-2.0	-84.48	377.89	0.40	-84.08
O=C(NCC12CC1CN(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300029691716	0	38	-2.0	-95.82	339.31	-3.52	-99.34
COC1=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)NC1=O	REAL300029691778	0	43	-2.0	-92.56	374.64	-2.40	-94.96
COC1=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029691778	1	43	-2.0	-92.56	374.64	-2.40	-94.96
O=C(CN1C(=O)[N-]NC1=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029691978	0	40	-2.0	-98.78	357.02	-2.06	-100.84
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029692045	0	44	-2.0	-106.98	391.05	0.50	-106.48
O=C(CCCN1C(=O)[N-]NC1=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029693158	0	46	-2.0	-97.02	399.47	-0.86	-97.88
O=C(NCC12CC1CN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300029693405	1	45	-2.0	-101.04	394.04	1.07	-99.97
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694437	0	44	-2.0	-96.29	387.28	-3.77	-100.06
O=C(NCC12CC1CN(C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029694447	0	42	-2.0	-91.67	369.51	3.35	-88.32
O=C(NCC12CC1CN(C(=O)C1=CC(Cl)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029694463	1	40	-2.0	-99.35	361.79	3.35	-96.00
N#CC1=CC([O-])=CC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029694500	1	41	-2.0	-96.78	365.40	1.83	-94.95
NC1=CC=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1Cl	REAL300029694535	0	42	-2.0	-102.74	373.59	1.34	-101.40
O=C(NCC12CC1CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029694604	0	42	-2.0	-106.64	370.23	4.18	-102.46
CCC1=NC=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029694641	1	44	-2.0	-99.71	382.96	0.48	-99.23
O=C(NCC12CC1CN(C(=O)C1=COC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029694668	1	36	-2.0	-87.07	322.95	-1.55	-88.62
O=C(NCC12CC1CN(C(=O)C1=CC=CC([O-])=C1[N+](=O)[O-])C2)C1=CC(=O)[N-]O1	REAL300029694758	0	42	-2.0	-105.00	374.27	2.88	-102.12
O=C(C[N-]C(=O)C(F)(F)F)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694777	0	39	-2.0	-89.98	361.39	-1.79	-91.77
NC1=NC([O-])=C(CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029694778	0	41	-2.0	-115.83	372.38	-2.77	-118.60
O=C(NCC12CC1CN(C(=O)C1=C(F)C=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300029694789	0	40	-2.0	-86.56	363.63	1.89	-84.67
O=C(NCC12CC1CN(C(=O)C1=CC=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300029694813	1	40	-2.0	-98.48	351.68	1.57	-96.91
O=C(NCC12CC1CN(C(=O)C1=CC([O-])=C3SC=CC3=C1)C2)C1=CC(=O)[N-]O1	REAL300029694821	1	43	-2.0	-108.32	381.44	2.79	-105.53
O=C(NCC12CC1CN(C(=O)C1=CC([O-])=CC(=O)O1)C2)C1=CC(=O)[N-]O1	REAL300029694824	0	39	-2.0	-88.23	348.13	0.98	-87.25
N#CC1=CC=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300029694838	1	41	-2.0	-101.82	364.69	1.88	-99.94
O=C(NCC12CC1CN(C(=O)C1=CC(Cl)=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029694844	0	39	-2.0	-98.19	357.10	1.41	-96.78
N#CC1=CC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=C(N)[N-]C1=O	REAL300029694851	0	42	-2.0	-88.53	380.05	-1.20	-89.73
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029694870	0	41	-2.0	-114.48	367.85	-3.51	-117.99
CC1=CC=C([O-])C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029694972	1	42	-2.0	-107.64	361.42	2.85	-104.79
O=C(NCC12CC1CN(C(=O)C1=C[N-]N=CC1=O)C2)C1=CC(=O)[N-]O1	REAL300029695002	0	38	-2.0	-87.70	340.72	0.21	-87.49
O=C(NCC12CC1CN(C(=O)C1=CC=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029695016	0	40	-2.0	-105.42	351.28	2.90	-102.52
O=C(NCC12CC1CN(C(=O)C1=CC=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300029695162	1	40	-2.0	-104.39	351.53	1.57	-102.82
O=C(NCC12CC1CN(C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029695254	0	42	-2.0	-95.75	369.52	3.32	-92.43
O=C(NCC12CC1CN(C(=O)C1=CC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029695327	0	37	-2.0	-89.47	327.88	-1.41	-90.88
C[PH](C)([O-])C(=O)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695335	0	42	-2.0	-86.53	361.13	-0.35	-86.88
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029695365	0	45	-2.0	-102.36	394.75	3.28	-99.08
O=C(NCC12CC1CN(C(=O)C1=CN=C(CC3CC3)NC1=O)C2)C1=CC(=O)[N-]O1	REAL300029695388	0	48	-2.0	-99.60	413.88	2.07	-97.53
O=C(NCC12CC1CN(C(=O)C1=CN=C(CC3CC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300029695388	1	48	-2.0	-99.60	413.88	2.07	-97.53
COCC1=NC=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029695412	0	45	-2.0	-99.89	395.89	-1.28	-101.17
COCC1=NC=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029695412	1	45	-2.0	-99.89	395.89	-1.28	-101.17
O=C(NCC12CC1CN(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300029695477	0	40	-2.0	-100.36	358.86	2.29	-98.07
O=C(NCC12CC1CN(C(=O)C1=CC(F)=C(F)C([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300029695514	0	40	-2.0	-99.85	364.00	1.69	-98.16
O=C(NCC12CC1CN(C(=O)C1=NNC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029695516	0	36	-2.0	-93.55	322.50	-2.90	-96.45
O=C(NCC12CC1CN(C(=O)C1=C(O)C=CC=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300029695522	0	40	-2.0	-99.75	367.36	2.18	-97.57
O=C(NCC12CC1CN(C(=O)C1=C([O-])C=CC=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300029695522	1	40	-2.0	-99.75	367.36	2.18	-97.57
O=C(NCC12CC1CN(C(=O)C1=CC=CN([O-])C1=O)C2)C1=CC(=O)[N-]O1	REAL300029695531	0	40	-2.0	-115.63	358.18	2.25	-113.38
O=C(NCC12CC1CN(C(=O)C1=C(F)C=CC(O)=C1F)C2)C1=CC(=O)[N-]O1	REAL300029695574	0	40	-2.0	-92.49	363.47	1.86	-90.63
O=C(NCC12CC1CN(C(=O)C1=C(F)C=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300029695574	1	40	-2.0	-92.49	363.47	1.86	-90.63
O=C(NCC12CC1CN(C(=O)C1=CC(F)=CC=C1O)C2)C1=CC(=O)[N-]O1	REAL300029695801	0	40	-2.0	-99.41	351.47	2.90	-96.51
O=C(NCC12CC1CN(C(=O)C1=CC(F)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029695801	1	40	-2.0	-99.41	351.47	2.90	-96.51
CC1=CC=NC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029695902	1	42	-2.0	-100.35	360.11	2.96	-97.39
O=C(NCC12CC1CN(C(=O)C1=CC=C(Cl)C(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029695969	0	40	-2.0	-107.53	367.77	3.28	-104.25
O=C(NCC12CC1CN(C(=O)C1=CN=CC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029696102	1	39	-2.0	-100.63	339.36	-0.35	-100.98
O=C(NCC12CC1CN(C(=O)C1=CC=CC(=S)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300029696116	0	40	-2.0	-116.70	369.04	2.69	-114.01
O=C(NCC12CC1CN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300029696274	1	48	-2.0	-92.30	403.74	1.54	-90.76
NC1=CC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC([O-])=C1Cl	REAL300029696292	1	42	-2.0	-103.45	373.22	-0.07	-103.52
O=C(NCC12CC1CN(C(=O)C1=CC=C([O-])C(Cl)=N1)C2)C1=CC(=O)[N-]O1	REAL300029696297	0	39	-2.0	-84.27	358.10	1.10	-83.17
O=C(NCC12CC1CN(C(=O)C1=CC=C([O-])C=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300029696374	1	40	-2.0	-97.70	360.39	2.02	-95.68
N#CC1=CC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=C([O-])C=C1N	REAL300029696377	0	43	-2.0	-99.33	378.81	1.13	-98.20
O=C(CC1=NC([O-])=CS1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696391	0	39	-2.0	-113.40	357.92	-1.92	-115.32
O=C(NCC12CC1CN(C(=O)C1=C([O-])C=CC=C1F)C2)C1=CC(=O)[N-]O1	REAL300029696416	0	40	-2.0	-101.05	358.26	1.82	-99.23
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696419	0	42	-2.0	-104.91	373.61	-1.41	-106.32
O=C(NCC12CC1CN(C(=O)C1=CC=C(F)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029696422	0	40	-2.0	-100.86	351.47	2.91	-97.95
CC1=CC=C(F)C([O-])=C1C(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696477	0	43	-2.0	-100.39	376.54	2.44	-97.95
O=C(CC1SC(=O)[N-]C1=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696577	0	40	-2.0	-88.99	365.51	-2.49	-91.48
O=C(NCC12CC1CN(C(=O)C1=CC=C([O-])C(F)=C1F)C2)C1=CC(=O)[N-]O1	REAL300029696610	0	40	-2.0	-95.26	358.13	1.65	-93.61
O=C(NCC12CC1CN(C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300029696614	1	41	-2.0	-88.93	374.48	0.24	-88.69
O=C(NCC12CC1CN(C(=O)C1=CC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029696620	0	40	-2.0	-100.67	361.08	3.38	-97.29
CC1=CC(=O)C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029696658	0	41	-2.0	-95.54	356.51	2.36	-93.18
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696664	0	45	-2.0	-107.21	387.31	2.06	-105.15
CN1N=CC2=C1[N-]C=C(C(=O)N1CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C1)C2=O	REAL300029696668	0	45	-2.0	-94.34	396.66	1.97	-92.37
O=C(NCC12CC1CN(C(=O)C1=CC=CC(=O)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300029696700	0	40	-2.0	-117.61	356.46	2.11	-115.50
N#CC1=CC=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029696748	0	40	-2.0	-90.93	366.75	0.05	-90.88
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696749	0	42	-2.0	-100.74	378.72	-5.76	-106.50
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029696749	1	42	-2.0	-89.35	378.10	-5.41	-94.76
O=C(NCC12CC1CN(C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C2)C1=CC(=O)[N-]O1	REAL300029696780	0	42	-2.0	-85.49	372.63	3.06	-82.43
CN1N=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029696826	0	39	-2.0	-96.89	345.34	-1.24	-98.13
[N-]=[N+]=NC1=CC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC=C1[O-]	REAL300029696868	0	42	-2.0	-95.49	372.38	-0.71	-96.20
O=C(NCC12CC1CN(C(=O)C1=C(F)C=CC(O)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029696912	1	41	-2.0	-102.22	369.00	-0.12	-102.34
N#CC1=CC=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029696913	0	41	-2.0	-98.55	365.88	3.24	-95.31
N#CC1=CC=C([O-])C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029696925	0	41	-2.0	-97.70	365.91	3.25	-94.45
O=C(NCC12CC1CN(C(=O)C1=CN([O-])C(=O)NC1=O)C2)C1=CC(=O)[N-]O1	REAL300029697072	0	40	-2.0	-92.15	362.62	-0.36	-92.51
O=C(NCC12CC1CN(C(=O)C1=CC=C(F)C(O)=C1)C2)C1=CC(=O)[N-]O1	REAL300029697150	0	40	-2.0	-102.32	350.75	1.50	-100.82
O=C(NCC12CC1CN(C(=O)C1=CC=C(F)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029697150	1	40	-2.0	-102.32	350.75	1.50	-100.82
O=C(NCC12CC1CN(C(=O)C1=C(O)C3=NC=CC=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300029697160	0	45	-2.0	-110.67	385.92	3.32	-107.35
O=C(NCC12CC1CN(C(=O)C1=C([O-])C3=NC=CC=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300029697160	1	45	-2.0	-110.67	385.92	3.32	-107.35
O=C(NCC12CC1CN(C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029697164	0	42	-2.0	-97.93	373.21	3.51	-94.42
O=C(NCC12CC1CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029697167	0	42	-2.0	-94.90	373.23	3.51	-91.39
O=C(NCC12CC1CN(C(=O)C1=CC=C(Cl)C=C1O)C2)C1=CC(=O)[N-]O1	REAL300029697181	0	40	-2.0	-100.56	361.78	3.36	-97.20
O=C(NCC12CC1CN(C(=O)C1=CC=C(Cl)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029697181	1	40	-2.0	-100.56	361.78	3.36	-97.20
O=C(NCC12CC1CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2)C1=CC(=O)[N-]O1	REAL300029697296	0	38	-2.0	-88.07	340.86	-3.89	-91.96
O=C(NCC12CC1CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029697296	1	38	-2.0	-84.85	341.51	-3.08	-87.93
O=C(NCC12CC1CN(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2)C1=CC(=O)[N-]O1	REAL300029697339	0	42	-2.0	-110.54	366.79	0.49	-110.05
O=C(NCC12CC1CN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2)C1=CC(=O)[N-]O1	REAL300029697385	1	45	-2.0	-112.25	385.03	4.60	-107.65
O=C(NCC12CC1CN(C(=O)C1=C(Cl)C(=O)[N-]S1)C2)C1=CC(=O)[N-]O1	REAL300029697386	0	36	-2.0	-91.31	343.70	-0.76	-92.07
NC1=NC=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029697412	1	40	-2.0	-100.15	356.33	-1.19	-101.34
CC1=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029697449	0	43	-2.0	-82.39	377.10	1.86	-80.53
O=C(NCC12CC1CN(C(=O)C1=CC=C(F)C([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300029697476	0	40	-2.0	-105.95	358.08	1.63	-104.32
O=C(NCC12CC1CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2)C1=CC(=O)[N-]O1	REAL300029697540	0	40	-2.0	-98.09	366.71	2.09	-96.00
O=C(NCC12CC1CN(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029697549	1	41	-2.0	-88.57	373.21	1.25	-87.32
COC1=NC(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029697555	0	42	-2.0	-94.21	365.49	-2.97	-97.18
O=C(NCC12CC1CN(C(=O)C1=CC=C3N[N-]N=C3C1=O)C2)C1=CC(=O)[N-]O1	REAL300029697558	0	42	-2.0	-99.28	372.94	0.24	-99.04
O=C(NCC12CC1CN(C(=O)C1=NC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029697571	0	39	-2.0	-99.55	354.90	2.84	-96.71
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029697577	1	43	-2.0	-103.15	388.93	3.10	-100.05
O=C(NCC12CC1CN(C(=O)C1=CC=C(Cl)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029697623	0	40	-2.0	-98.28	360.54	1.99	-96.29
O=C(NCC12CC1CN(C(=O)C1=CC=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029697634	0	39	-2.0	-105.33	340.36	0.89	-104.44
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)[N-]O1	REAL300029697644	0	36	-2.0	-92.36	322.79	-1.30	-93.66
CC1=C([O-])N=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029697688	1	39	-2.0	-92.36	354.76	-0.77	-93.13
O=C(NCC12CC1CN(C(=O)C1=C([O-])C=CC3=CC=CC=C31)C2)C1=CC(=O)[N-]O1	REAL300029697747	1	46	-2.0	-108.49	395.20	4.01	-104.48
O=C(NCC12CC1CN(C(=O)C1=C([O-])C3=CC=CC=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300029697767	1	46	-2.0	-105.48	390.08	5.17	-100.31
O=C(NCC12CC1CN(C(=O)C1=CC3=CC=CC=C3C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029697775	1	46	-2.0	-107.29	391.21	5.11	-102.18
O=C(NCC12CC1CN(C(=O)C(=O)C1=CC=C([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300029697831	1	42	-2.0	-98.25	366.08	1.43	-96.82
O=C(NCC12CC1CN(C(=O)C1=CN=C(C=N[O-])S1)C2)C1=CC(=O)[N-]O1	REAL300029697870	0	39	-2.0	-101.40	361.45	-0.51	-101.91
O=C(NCC12CC1CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029697908	1	39	-2.0	-86.20	357.78	2.10	-84.10
CSC1=NC=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029697934	1	42	-2.0	-100.65	384.27	-0.02	-100.67
O=C(NCC12CC1CN(C(=O)C1=CC(=O)NC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029697943	0	40	-2.0	-87.39	358.95	-2.64	-90.03
CCN1[N-]C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029698031	0	43	-2.0	-93.45	372.36	1.20	-92.25
CN1[N-]C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029698055	0	40	-2.0	-92.49	350.54	0.27	-92.22
O=C(NCC12CC1CN(C(=O)C1=CC=CC3=C1C(=O)[N-]C3=O)C2)C1=CC(=O)[N-]O1	REAL300029698070	1	43	-2.0	-112.79	377.26	-0.18	-112.97
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029698075	0	40	-2.0	-100.08	368.81	-2.10	-102.18
CC1=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029698077	1	42	-2.0	-106.44	382.30	-0.52	-106.96
CC1=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300029698088	1	48	-2.0	-102.95	412.47	1.72	-101.23
O=C(NCC12CC1CN(C(=O)C1=C([O-])C=NC3=CC=CC=C31)C2)C1=CC(=O)[N-]O1	REAL300029698153	1	45	-2.0	-101.27	391.89	2.09	-99.18
O=C(CC1=CC(=O)N[N-]1)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029698273	1	40	-2.0	-108.16	352.50	-1.33	-109.49
O=C(NCC12CC1CN(C(=O)C1=CC=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300029698280	1	40	-2.0	-100.69	350.72	1.54	-99.15
O=C(NCC12CC1CN(C(=O)C1=CC(F)=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300029698348	0	40	-2.0	-101.45	356.93	1.61	-99.84
O=C(NCC12CC1CN(C(=O)C1=CC=NC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029698354	0	39	-2.0	-103.07	356.33	1.45	-101.62
CC1=C(CC(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029698376	0	46	-2.0	-103.62	395.37	1.07	-102.55
O=C(CCC(=O)N1CC2CC2(CNC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C([O-])C=C1	REAL300029698389	1	48	-2.0	-94.10	414.38	3.21	-90.89
CC1=CN=C(C(=O)N2CC3CC3(CNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029698430	1	42	-2.0	-101.48	361.22	2.90	-98.58
O=C(NCC12CC1CN(C(=O)C1=C(O)C=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029698447	0	41	-2.0	-98.08	378.71	-0.49	-98.57
O=C(NCC12CC1CN(C(=O)C1=CC([O-])=CS1)C2)C1=CC(=O)[N-]O1	REAL300029698472	0	37	-2.0	-101.37	335.27	0.31	-101.06
O=C(NCC12CC1CN(C(=O)C1=CN([O-])C(=O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300029698498	0	40	-2.0	-99.91	358.66	2.29	-97.62
O=C(NCC12CC1CN(C(=O)C1=CC(F)=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029698504	0	40	-2.0	-96.00	367.49	3.44	-92.56
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)NC1=O	REAL300029698561	0	40	-2.0	-87.39	352.37	0.00	-87.39
O=C(NCC12CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029698598	1	41	-2.0	-84.29	364.75	0.36	-83.93
CC(C)(CNC(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699379	1	47	-2.0	-86.98	372.39	-1.45	-88.43
CC(C)(CNC(=O)CC1=CC(=O)N[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699458	1	51	-2.0	-95.49	397.89	0.18	-95.31
CN1N=C(C(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300029699467	0	50	-2.0	-92.70	394.48	-0.24	-92.94
CC(C)(CNC(=O)C1=C[N-]N=CC1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699499	0	49	-2.0	-80.09	381.45	1.70	-78.39
CC(C)(CNC(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699533	0	48	-2.0	-86.53	377.22	-0.45	-86.98
CC(C)(CNC(=O)C1=NC(=O)N[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300029699711	0	47	-2.0	-86.77	371.81	-1.74	-88.51
CN1[N-]C(C(=O)NCC(C)(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029699799	0	51	-2.0	-89.17	400.04	1.25	-87.92
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300029700155	1	50	-2.0	-101.15	389.17	3.61	-97.54
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O=C(CC1SC(=O)[N-]C1=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708609	0	43	-2.0	-107.44	363.21	-2.46	-109.90
CN1N=C(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)[N-]C1=O	REAL300029708623	0	42	-2.0	-95.96	352.04	-1.26	-97.22
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=C[N-]N=CC1=O	REAL300029708710	0	41	-2.0	-88.97	338.76	0.70	-88.27
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC=C2N=NN([O-])C2=C1	REAL300029708743	0	45	-2.0	-96.41	371.33	1.17	-95.24
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC(=O)N[N-]1	REAL300029708815	0	40	-2.0	-110.49	329.43	-1.58	-112.07
C[PH](C)([O-])C(=O)C(=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029708819	0	45	-2.0	-89.87	365.48	-0.12	-89.99
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC=CN([O-])C1=O	REAL300029708852	0	43	-2.0	-114.46	355.26	2.78	-111.68
CC1=C([O-])N=C(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)S1	REAL300029708882	1	42	-2.0	-102.88	361.07	-1.36	-104.24
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC(=O)C=C(Cl)[N-]1	REAL300029708894	1	42	-2.0	-87.32	364.67	1.81	-85.51
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC(=O)N([O-])C=C1	REAL300029708909	0	43	-2.0	-127.45	352.44	2.48	-124.97
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC=CC(=O)N1[O-]	REAL300029708947	0	43	-2.0	-114.81	354.04	2.57	-112.24
O=C(C[N-]C(=O)C(F)(F)F)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709064	0	42	-2.0	-110.89	359.56	-1.70	-112.59
NC1=NC([O-])=C(CC(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)S1	REAL300029709065	0	44	-2.0	-127.74	370.76	-2.55	-130.29
O=C(CC1=NC([O-])=CS1)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709109	0	42	-2.0	-103.29	362.19	-1.54	-104.83
CCC1=NC=C(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)C(=O)[N-]1	REAL300029709126	1	47	-2.0	-98.09	379.76	1.05	-97.04
O=C(CN1N=CC(=O)[N-]C1=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709137	0	44	-2.0	-94.39	367.76	-2.98	-97.37
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=C(Cl)C(=O)[N-]S1	REAL300029709194	0	39	-2.0	-89.93	352.09	-0.16	-90.09
CC1=CC(=O)C(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)=N[N-]1	REAL300029709342	0	44	-2.0	-94.75	363.24	2.30	-92.45
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=NNC(=O)[N-]1	REAL300029709356	0	39	-2.0	-93.18	329.21	-2.92	-96.10
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CN=C(C=N[O-])S1	REAL300029709464	0	42	-2.0	-99.48	369.90	0.12	-99.36
COC1=NC(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)=CC(=O)[N-]1	REAL300029709479	0	45	-2.0	-92.60	375.25	-3.46	-96.06
CN1[N-]C(C(=O)NC23CC2CN(C(=O)C2=CC(=O)[N-]O2)CCC3)=CC1=O	REAL300029709636	0	43	-2.0	-93.19	357.54	0.27	-92.92
O=C(CSC1=NNC(=O)[N-]1)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709643	0	43	-2.0	-90.92	369.12	-1.58	-92.50
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=NC(=O)[N-]C(=O)N1	REAL300029709791	0	41	-2.0	-104.85	342.56	-4.66	-109.51
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=NC(=O)NC(=O)[N-]1	REAL300029709791	1	41	-2.0	-105.88	343.20	-3.86	-109.74
O=C(CN1[N-]C(=O)C=CC1=O)NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029709935	0	45	-2.0	-95.76	377.46	-0.86	-96.62
O=C(NC12CC1CN(C(=O)C1=NC=CC=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029710188	1	42	-2.0	-101.31	345.20	3.04	-98.27
O=C(NC12CC1CN(C(=O)C1=NNC(=O)[N-]C1=O)CCC2)C1=CC(=O)[N-]O1	REAL300029710323	0	41	-2.0	-112.66	340.26	-3.11	-115.77
O=C(CN1C(=O)[N-]NC1=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029710516	0	43	-2.0	-96.29	362.22	-1.72	-98.01
O=C(NC12CC1CN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)CCC2)C1=CC(=O)[N-]O1	REAL300029711480	1	48	-2.0	-87.72	389.81	1.11	-86.61
O=C(NC12CC1CN(C(=O)C1=CC(Cl)=CC=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029712168	1	43	-2.0	-94.51	367.95	2.68	-91.83
N#CC1=CC([O-])=CC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=C1	REAL300029712195	1	44	-2.0	-87.32	369.69	2.11	-85.21
CCC1=NC=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C(=O)[N-]1	REAL300029712294	1	47	-2.0	-102.10	389.46	0.78	-101.32
O=C(NC12CC1CN(C(=O)C1=COC(=O)[N-]1)CCC2)C1=CC(=O)[N-]O1	REAL300029712314	1	39	-2.0	-87.96	326.37	-0.37	-88.33
O=C(C[N-]C(=O)C(F)(F)F)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712391	0	42	-2.0	-90.91	366.65	-1.45	-92.36
NC1=NC([O-])=C(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)S1	REAL300029712392	0	44	-2.0	-117.68	375.53	-2.35	-120.03
O=C(NC12CC1CN(C(=O)C1=C(F)C=C([O-])C=C1F)CCC2)C1=CC(=O)[N-]O1	REAL300029712402	0	43	-2.0	-105.16	363.64	2.04	-103.12
O=C(NC12CC1CN(C(=O)C1=CC=C([O-])C=C1F)CCC2)C1=CC(=O)[N-]O1	REAL300029712418	1	43	-2.0	-91.23	360.63	1.94	-89.29
O=C(NC12CC1CN(C(=O)C1=CC([O-])=CC(=O)O1)CCC2)C1=CC(=O)[N-]O1	REAL300029712424	0	42	-2.0	-106.20	349.00	1.16	-105.04
N#CC1=CC=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C=C1[O-]	REAL300029712433	1	44	-2.0	-97.32	366.10	2.13	-95.19
O=C(NC12CC1CN(C(=O)C1=CC(Cl)=NC=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029712437	0	42	-2.0	-112.24	354.33	1.49	-110.75
N#CC1=CC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=C(N)[N-]C1=O	REAL300029712443	0	45	-2.0	-90.75	383.31	-0.90	-91.65
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712460	0	44	-2.0	-103.87	374.88	-2.83	-106.70
CC1=CC=C([O-])C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=N1	REAL300029712531	1	45	-2.0	-102.38	367.61	3.41	-98.97
O=C(CCC1=NNC(=O)[N-]1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712533	0	45	-2.0	-94.02	372.55	-1.08	-95.10
O=C(NC12CC1CN(C(=O)C1=C[N-]N=CC1=O)CCC2)C1=CC(=O)[N-]O1	REAL300029712552	0	41	-2.0	-86.83	349.20	0.48	-86.35
O=C(NC12CC1CN(C(=O)C1=CC=CC(F)=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029712563	0	43	-2.0	-99.57	357.45	2.21	-97.36
O=C(NC12CC1CN(C(=O)C1=CC=CC([O-])=C1F)CCC2)C1=CC(=O)[N-]O1	REAL300029712667	1	43	-2.0	-118.24	348.88	1.65	-116.59
O=C(NC12CC1CN(C(=O)C1=CC(=O)N[N-]1)CCC2)C1=CC(=O)[N-]O1	REAL300029712792	0	40	-2.0	-88.94	334.78	-0.94	-89.88
C[PH](C)([O-])C(=O)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029712798	0	45	-2.0	-87.04	367.91	-0.01	-87.05
O=C(NC12CC1CN(C(=O)C1=CC(F)=CC(F)=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029712878	0	43	-2.0	-115.28	354.98	3.04	-112.24
O=C(NC12CC1CN(C(=O)C1=CC(=O)N([O-])C=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029712906	0	43	-2.0	-105.17	351.86	2.25	-102.92
O=C(NC12CC1CN(C(=O)C1=NC(=O)N[N-]1)CCC2)C1=CC(=O)[N-]O1	REAL300029712935	0	39	-2.0	-87.59	326.93	-1.45	-89.04
O=C(NC12CC1CN(C(=O)C1=C([O-])C=CC=C1Cl)CCC2)C1=CC(=O)[N-]O1	REAL300029712939	1	43	-2.0	-93.81	372.91	2.53	-91.28
O=C(NC12CC1CN(C(=O)C1=CC=CN([O-])C1=O)CCC2)C1=CC(=O)[N-]O1	REAL300029712944	0	43	-2.0	-105.24	365.49	2.60	-102.64
O=C(NC12CC1CN(C(=O)C1=C(F)C=CC([O-])=C1F)CCC2)C1=CC(=O)[N-]O1	REAL300029712974	1	43	-2.0	-101.17	372.93	2.14	-99.03
NC1=CC(=O)[N-]C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=N1	REAL300029713072	0	43	-2.0	-99.56	355.07	-0.99	-100.55
O=C(NC12CC1CN(C(=O)C1=CC=C([O-])C(Cl)=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029713131	0	43	-2.0	-91.87	361.59	2.27	-89.60
O=C(NC12CC1CN(C(=O)C1=CC(F)=CC=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029713136	1	43	-2.0	-94.56	357.64	2.22	-92.34
CC1=CC=NC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=C1[O-]	REAL300029713203	1	45	-2.0	-101.35	366.31	3.53	-97.82
O=C(NC12CC1CN(C(=O)C1=CN=CC([O-])=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029713334	1	42	-2.0	-96.41	340.67	-0.18	-96.59
O=C(NC12CC1CN(C(=O)C1=CC=CC(=S)N1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029713344	0	43	-2.0	-100.47	366.96	3.01	-97.46
O=C(NC12CC1CN(C(=O)C1=CC=C([O-])C(Cl)=N1)CCC2)C1=CC(=O)[N-]O1	REAL300029713472	0	42	-2.0	-85.28	364.27	1.72	-83.56
O=C(NC12CC1CN(C(=O)C1=CC=C([O-])C=C1Cl)CCC2)C1=CC(=O)[N-]O1	REAL300029713518	1	43	-2.0	-90.75	369.26	2.36	-88.39
N#CC1=CC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=C([O-])C=C1N	REAL300029713520	0	46	-2.0	-94.36	384.93	0.49	-93.87
O=C(CC1=NC([O-])=CS1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713530	0	42	-2.0	-105.51	366.06	-1.34	-106.85
O=C(NC12CC1CN(C(=O)C1=C([O-])C=CC=C1F)CCC2)C1=CC(=O)[N-]O1	REAL300029713545	0	43	-2.0	-104.79	363.79	2.16	-102.63
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713547	0	45	-2.0	-96.88	382.44	-0.69	-97.57
O=C(NC12CC1CN(C(=O)C1=CC=C(F)C=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029713549	0	43	-2.0	-94.46	360.39	2.23	-92.23
CC1=CC=C(F)C([O-])=C1C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713589	0	46	-2.0	-95.64	384.04	2.67	-92.97
O=C(CC1SC(=O)[N-]C1=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713664	0	43	-2.0	-92.00	370.82	-2.11	-94.11
O=C(NC12CC1CN(C(=O)C1=CC=C([O-])C(F)=C1F)CCC2)C1=CC(=O)[N-]O1	REAL300029713690	0	43	-2.0	-92.35	363.96	1.99	-90.36
O=C(NC12CC1CN(C(=O)C1=CC=CC(Cl)=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029713697	0	43	-2.0	-95.13	367.25	2.71	-92.42
CC1=CC(=O)C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=N[N-]1	REAL300029713728	0	44	-2.0	-112.40	357.45	2.76	-109.64
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029713732	0	48	-2.0	-107.47	393.74	2.36	-105.11
O=C(NC12CC1CN(C(=O)C1=CC=CC(=O)N1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029713756	0	43	-2.0	-96.48	355.87	2.21	-94.27
N#CC1=CC=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C(=O)[N-]1	REAL300029713789	0	43	-2.0	-87.92	375.20	0.31	-87.61
CN1N=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)[N-]C1=O	REAL300029713844	0	42	-2.0	-96.27	351.19	-0.77	-97.04
[N-]=[N+]=NC1=CC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=CC=C1[O-]	REAL300029713870	0	45	-2.0	-91.30	373.38	-0.46	-91.76
O=C(NC12CC1CN(C(=O)C1=C(F)C=CC(O)=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029713906	1	44	-2.0	-103.46	377.30	0.24	-103.22
N#CC1=CC=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C([O-])=C1	REAL300029713907	0	44	-2.0	-92.21	374.77	2.58	-89.63
N#CC1=CC=C([O-])C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=C1	REAL300029713916	0	44	-2.0	-92.79	372.05	2.62	-90.17
O=C(NC12CC1CN(C(=O)C1=CN([O-])C(=O)NC1=O)CCC2)C1=CC(=O)[N-]O1	REAL300029714018	0	43	-2.0	-93.73	369.79	-0.02	-93.75
O=C(NC12CC1CN(C(=O)C1=CC=C(F)C([O-])=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029714077	1	43	-2.0	-102.65	351.85	1.74	-100.91
O=C(NC12CC1CN(C(=O)C1=CC=C(Cl)C=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029714097	1	43	-2.0	-94.54	370.71	2.68	-91.86
O=C(NC12CC1CN(C(=O)C1=NC(=O)[N-]C(=O)N1)CCC2)C1=CC(=O)[N-]O1	REAL300029714175	0	41	-2.0	-101.99	342.30	-2.19	-104.18
O=C(NC12CC1CN(C(=O)C1=NC(=O)NC(=O)[N-]1)CCC2)C1=CC(=O)[N-]O1	REAL300029714175	1	41	-2.0	-101.99	342.30	-2.19	-104.18
O=C(NC12CC1CN(C(=O)C1=CC=C3N=NN([O-])C3=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029714196	0	45	-2.0	-102.19	370.35	0.77	-101.42
O=C(NC12CC1CN(C(=O)C1=C(Cl)C(=O)[N-]S1)CCC2)C1=CC(=O)[N-]O1	REAL300029714227	0	39	-2.0	-92.67	345.49	-0.54	-93.21
NC1=NC=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C(=O)N1	REAL300029714245	0	43	-2.0	-110.56	343.23	-0.02	-110.58
NC1=NC=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C(=O)[N-]1	REAL300029714245	1	43	-2.0	-110.56	343.23	-0.02	-110.58
CC1=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)[N-]C(=O)C(C#N)=C1	REAL300029714271	0	46	-2.0	-118.36	388.60	0.78	-117.58
O=C(NC12CC1CN(C(=O)C1=CC=C3N[N-]N=C3C1=O)CCC2)C1=CC(=O)[N-]O1	REAL300029714340	0	45	-2.0	-89.95	380.12	0.59	-89.36
O=C(NC12CC1CN(C(=O)C1=NC=CC(Cl)=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029714350	0	42	-2.0	-97.91	362.19	3.36	-94.55
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC(=O)[N-]O1	REAL300029714406	0	39	-2.0	-111.94	324.17	-1.11	-113.05
CC1SC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=NC1=O	REAL300029714432	0	42	-2.0	-92.57	359.01	0.00	-92.57
CC1=C([O-])N=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)S1	REAL300029714432	1	42	-2.0	-92.57	359.01	0.00	-92.57
O=C(NC12CC1CN(C(=O)C(=O)C1=CC=C(O)C=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029714531	0	45	-2.0	-91.78	369.86	2.14	-89.64
O=C(NC12CC1CN(C(=O)C(=O)C1=CC=C([O-])C=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029714531	1	45	-2.0	-91.78	369.86	2.14	-89.64
O=C(NC12CC1CN(C(=O)C1=CN=C(C=N[O-])S1)CCC2)C1=CC(=O)[N-]O1	REAL300029714557	0	42	-2.0	-103.88	362.83	-0.30	-104.18
O=C(NC12CC1CN(C(=O)C1=CC(=O)C=C(Cl)N1)CCC2)C1=CC(=O)[N-]O1	REAL300029714582	0	42	-2.0	-102.27	358.49	2.76	-99.51
O=C(NC12CC1CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)CCC2)C1=CC(=O)[N-]O1	REAL300029714582	1	42	-2.0	-102.27	358.49	2.76	-99.51
O=C(NC12CC1CN(C(=O)C1=CC(=O)NC([O-])=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029714607	0	43	-2.0	-90.81	366.47	-2.25	-93.06
CCN1[N-]C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=CC1=O	REAL300029714671	0	46	-2.0	-111.49	373.44	1.64	-109.85
CN1[N-]C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)=CC1=O	REAL300029714693	0	43	-2.0	-110.34	351.63	0.70	-109.64
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714705	0	43	-2.0	-107.19	371.20	-1.53	-108.72
O=C(CC1=CC(=O)N[N-]1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029714853	1	43	-2.0	-97.85	357.21	-0.63	-98.48
O=C(NC12CC1CN(C(=O)C1=CC=C([O-])C(F)=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029714858	1	43	-2.0	-95.73	351.79	1.79	-93.94
O=C(NC12CC1CN(C(=O)C1=CC(F)=C([O-])C(F)=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029714912	0	43	-2.0	-108.00	356.31	1.75	-106.25
O=C(NC12CC1CN(C(=O)C1=CC=NC(Cl)=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029714918	0	42	-2.0	-114.93	353.66	1.51	-113.42
CC1=C(CC(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C(=O)N(C)[N-]1	REAL300029714933	0	49	-2.0	-104.89	400.10	1.77	-103.12
CC1=CN=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CC3C2)C([O-])=C1	REAL300029714971	1	45	-2.0	-104.57	364.75	3.49	-101.08
O=C(NC12CC1CN(C(=O)C1=CC([O-])=CS1)CCC2)C1=CC(=O)[N-]O1	REAL300029714996	0	40	-2.0	-120.25	333.93	0.30	-119.95
O=C(NC12CC1CN(C(=O)C1=CN([O-])C(=O)C=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029715012	0	43	-2.0	-117.15	349.52	2.13	-115.02
O=C(NC12CC1CN(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CN([O-])C(=O)NC1=O	REAL300029715045	0	43	-2.0	-106.40	356.21	0.15	-106.25
CC1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716073	1	41	-2.0	-97.72	356.87	-0.58	-98.30
CC1(NC(=O)CCCN2C(=O)[N-]NC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029716780	0	42	-2.0	-98.17	368.62	-2.97	-101.14
CC(C)CN1[N-]C(CC(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029716937	0	48	-2.0	-106.22	405.48	1.21	-105.01
CC1(NC(=O)CCC2=NNC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717012	0	40	-2.0	-95.29	356.31	-5.68	-100.97
CC(=O)[N-]C1=NC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029717013	1	38	-2.0	-93.24	350.50	-2.18	-95.42
CC1(NC(=O)CCN2C=C[N-]C(=O)C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717186	1	41	-2.0	-96.92	362.06	-1.55	-98.47
COC1=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029717300	1	39	-2.0	-97.89	345.55	-4.62	-102.51
CC1(NC(=O)C2=NNC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717429	0	34	-2.0	-97.46	311.95	-5.84	-103.30
CC1(NC(=O)CN2C(=O)[N-]NC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029717543	0	36	-2.0	-101.16	326.12	-4.16	-105.32
CC1(NC(=O)C2=CN([O-])C(=O)C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718437	0	36	-2.0	-107.78	323.02	0.40	-107.38
CC1(NC(=O)C2=CC(=O)NC([O-])=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718613	0	36	-2.0	-93.07	323.54	-4.60	-97.67
CC1(NC(=O)C2=COC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718628	1	32	-2.0	-96.02	295.55	-4.66	-100.68
CC1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718680	1	44	-2.0	-97.73	372.63	-0.02	-97.75
CCN1[N-]C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029718855	0	39	-2.0	-98.07	344.93	-1.11	-99.18
CC1(NC(=O)CC2=CC(=O)N[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718864	1	36	-2.0	-99.71	321.10	-3.11	-102.82
CC1(NC(=O)C2=CC=CC(=S)N2[O-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718887	0	36	-2.0	-123.36	331.57	2.26	-121.10
CC1(NC(=O)CC2SC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029718903	0	36	-2.0	-95.07	334.18	-4.54	-99.61
CN1N=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029718919	0	35	-2.0	-100.45	317.71	-3.48	-103.93
CC1(NC(=O)C2=C[N-]N=CC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719043	0	34	-2.0	-89.26	304.64	-1.59	-90.85
CC1(NC(=O)C2=CC=C3N=NN([O-])C3=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719082	0	38	-2.0	-104.12	339.58	-1.10	-105.22
CC1(NC(=O)C2=CC(=O)N[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719184	0	33	-2.0	-94.25	300.39	-3.67	-97.92
CC1(NC(=O)C(=O)[PH](C)(C)[O-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719188	0	38	-2.0	-88.24	334.68	-2.18	-90.42
CC1(NC(=O)C2=CC=CN([O-])C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719231	0	36	-2.0	-109.89	320.88	0.55	-109.34
CSC1=NC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029719255	0	38	-2.0	-97.91	347.05	-1.72	-99.63
CSC1=NC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029719255	1	38	-2.0	-97.91	347.05	-1.72	-99.63
CC1SC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029719277	0	35	-2.0	-102.97	327.16	-3.56	-106.53
CC1=C([O-])N=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029719277	1	35	-2.0	-102.97	327.16	-3.56	-106.53
CC1(NC(=O)C2=CC(=O)C=C(Cl)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719297	0	35	-2.0	-90.79	330.53	-0.39	-91.18
CC1(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719297	1	35	-2.0	-90.79	330.53	-0.39	-91.18
CC1(NC(=O)C2=CC(=O)N([O-])C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719315	0	36	-2.0	-108.46	323.40	0.40	-108.06
CC1(NC(=O)C2=CC=CC(=O)N2[O-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719377	0	36	-2.0	-121.06	320.45	1.22	-119.84
CC1(NC(=O)CC2=C([O-])N=C(N)S2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719561	0	37	-2.0	-119.43	341.72	-4.61	-124.04
CC1(NC(=O)CC2=NC([O-])=CS2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719628	0	35	-2.0	-115.00	326.90	-3.84	-118.84
CCC1=NC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029719654	0	40	-2.0	-96.93	345.80	-1.24	-98.17
CCC1=NC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029719654	1	40	-2.0	-96.93	345.80	-1.24	-98.17
CC1(NC(=O)C2=C(Cl)C(=O)[N-]S2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719751	0	32	-2.0	-94.51	317.98	-2.44	-96.95
COCC1=NC=C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029719859	1	41	-2.0	-97.66	358.73	-3.00	-100.66
CC1(NC(=O)C2=CN=C(CC3CC3)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719872	1	44	-2.0	-97.16	376.73	0.36	-96.80
CC1=CC(=O)C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029719969	0	37	-2.0	-98.23	329.14	0.04	-98.19
CC1(NC(=O)C2=NC(=O)N[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029719989	0	32	-2.0	-96.28	294.99	-5.05	-101.33
CC1(NC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720006	1	37	-2.0	-93.02	337.56	-0.67	-93.69
CC1=NC2=NC=C(C(=O)NC3(C)CN(C(=O)C4=CC(=O)[N-]O4)C3)C(=O)N2[N-]1	REAL300029720033	0	40	-2.0	-95.13	352.93	1.59	-93.54
CC1(NC(=O)C2=CN=C(C=N[O-])S2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720140	0	35	-2.0	-103.44	335.79	-2.17	-105.61
COC1=NC(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029720158	0	38	-2.0	-98.04	341.11	-5.73	-103.77
CN1[N-]C(C(=O)NC2(C)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029720375	0	36	-2.0	-96.85	323.13	-1.96	-98.81
CC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720386	0	36	-2.0	-96.31	337.29	-3.85	-100.16
CC1(NC(=O)C2=NC(=O)[N-]C(=O)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720600	0	34	-2.0	-97.96	313.52	-6.74	-104.70
CC1(NC(=O)C2=NC(=O)NC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720600	1	34	-2.0	-92.32	314.21	-6.03	-98.35
CC1(NC(=O)COC2=NC(=O)[N-]C(=O)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720680	0	38	-2.0	-97.92	347.32	-7.71	-105.63
CC1(NC(=O)COC2=NC(=O)NC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720680	1	38	-2.0	-92.25	347.26	-7.65	-99.90
CC1(NC(=O)CN2[N-]C(=O)C=CC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029720828	0	38	-2.0	-101.49	342.22	-3.17	-104.66
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300029721033	1	35	-2.0	-104.33	311.80	0.07	-104.26
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1	REAL300029721155	1	41	-2.0	-96.08	364.29	-1.35	-97.43
CC(=O)[N-]C1=NC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029721173	1	38	-2.0	-92.17	350.06	-1.84	-94.01
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300029721214	0	34	-2.0	-96.73	311.40	-5.58	-102.31
COC1=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029721284	1	39	-2.0	-99.31	343.47	-4.38	-103.69
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300029721498	0	36	-2.0	-99.14	328.32	-3.97	-103.11
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2[N-]C=C3C2=NC=NC3=O)C1	REAL300029721568	0	40	-2.0	-98.45	361.65	-1.09	-99.54
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCN2C(=O)[N-]NC2=O)C1	REAL300029722761	0	42	-2.0	-94.81	370.53	-2.83	-97.64
CC(C)CN1[N-]C(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029722971	0	48	-2.0	-103.91	407.48	1.33	-102.58
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300029723031	1	41	-2.0	-109.52	364.66	-0.76	-110.28
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029723286	0	41	-2.0	-89.67	361.54	-1.54	-91.21
CC1=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C(C)C)=N1	REAL300029723837	1	46	-2.0	-111.22	393.54	-0.32	-111.54
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2=NNC(=O)[N-]C2=O)C1	REAL300029724182	0	40	-2.0	-93.63	358.54	-5.50	-99.13
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1	REAL300029724192	0	38	-2.0	-96.38	340.69	1.32	-95.06
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300029724211	1	36	-2.0	-103.45	332.97	1.48	-101.97
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300029724249	1	37	-2.0	-95.22	335.60	-0.12	-95.34
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C1	REAL300029724285	0	38	-2.0	-108.72	344.76	-0.53	-109.25
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1	REAL300029724355	0	38	-2.0	-112.00	342.25	2.32	-109.68
CCC1=NC=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029724394	1	40	-2.0	-107.25	353.83	-1.42	-108.67
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300029724424	1	32	-2.0	-96.04	295.28	-4.08	-100.12
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1	REAL300029724516	0	38	-2.0	-111.49	345.47	1.00	-110.49
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300029724535	0	35	-2.0	-92.65	332.77	-3.68	-96.33
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300029724536	0	37	-2.0	-116.60	343.97	-4.52	-121.12
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300029724549	0	36	-2.0	-92.68	335.90	-0.08	-92.76
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300029724582	1	36	-2.0	-97.40	322.85	-0.36	-97.76
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=C3SC=CC3=C2)C1	REAL300029724593	1	39	-2.0	-106.64	351.70	0.85	-105.79
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300029724596	0	35	-2.0	-94.92	320.13	-0.98	-95.90
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300029724611	1	37	-2.0	-98.73	334.89	-0.07	-98.80
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300029724617	0	35	-2.0	-97.78	324.70	-0.23	-98.01
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(N)[N-]C(=O)C(C#N)=C2)C1	REAL300029724626	0	38	-2.0	-97.10	350.92	-3.10	-100.20
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300029724647	0	37	-2.0	-104.34	338.45	-5.10	-109.44
CC1=CC=C([O-])C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029724758	1	38	-2.0	-105.43	333.40	0.66	-104.77
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2=NNC(=O)[N-]2)C1	REAL300029724762	0	38	-2.0	-94.70	338.66	-3.35	-98.05
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300029724791	0	34	-2.0	-94.83	302.96	-0.81	-95.64
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300029724805	0	36	-2.0	-111.59	322.44	1.05	-110.54
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300029724958	1	36	-2.0	-109.10	322.69	-0.37	-109.47
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1	REAL300029725052	0	38	-2.0	-100.10	340.71	1.23	-98.87
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300029725131	0	33	-2.0	-93.73	300.12	-3.52	-97.25
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300029725139	0	38	-2.0	-93.65	334.50	-2.13	-95.78
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(=O)C=C([O-])C2=CC=CC=N2)C1	REAL300029725171	0	41	-2.0	-111.38	367.95	1.19	-110.19
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(CC3CC3)NC2=O)C1	REAL300029725195	0	44	-2.0	-107.44	384.75	0.18	-107.26
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)C1	REAL300029725195	1	44	-2.0	-107.44	384.75	0.18	-107.26
COCC1=NC=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029725221	0	41	-2.0	-107.15	366.76	-3.18	-110.33
COCC1=NC=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029725221	1	41	-2.0	-107.15	366.76	-3.18	-110.33
CC1=CC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300029725231	0	41	-2.0	-96.12	360.74	2.04	-94.08
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300029725297	0	36	-2.0	-108.09	320.70	0.07	-108.02
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C1	REAL300029725338	0	36	-2.0	-101.62	335.16	-0.26	-101.88
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300029725340	0	32	-2.0	-95.78	294.86	-4.53	-100.31
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(O)C=CC=C2Cl)C1	REAL300029725345	0	36	-2.0	-96.35	338.63	0.29	-96.06
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300029725345	1	36	-2.0	-96.35	338.63	0.29	-96.06
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300029725355	0	36	-2.0	-126.83	329.05	0.37	-126.46
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300029725402	0	36	-2.0	-105.39	335.51	-0.11	-105.50
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300029725402	1	36	-2.0	-105.39	335.51	-0.11	-105.50
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C=C(C#N)C(=O)[N-]C2=O)C1	REAL300029725558	0	39	-2.0	-108.39	362.78	-2.87	-111.26
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300029725644	0	36	-2.0	-102.76	322.66	1.03	-101.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300029725644	1	36	-2.0	-102.76	322.66	1.03	-101.73
CC1=CC=NC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1O	REAL300029725756	0	38	-2.0	-104.43	332.11	0.76	-103.67
CC1=CC=NC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029725756	1	38	-2.0	-104.43	332.11	0.76	-103.67
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1	REAL300029725825	0	36	-2.0	-107.39	338.59	1.55	-105.84
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300029725963	1	35	-2.0	-98.45	309.76	-2.32	-100.77
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300029725978	0	36	-2.0	-123.34	329.03	2.12	-121.22
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300029726149	1	44	-2.0	-105.84	370.40	0.78	-105.06
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C1	REAL300029726168	1	38	-2.0	-98.44	343.44	-2.03	-100.47
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300029726173	0	35	-2.0	-91.43	330.10	-1.13	-92.56
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2N)C1	REAL300029726250	0	40	-2.0	-98.06	354.87	-0.46	-98.52
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300029726257	1	36	-2.0	-96.24	331.41	0.09	-96.15
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1	REAL300029726260	0	39	-2.0	-101.53	349.97	-0.73	-102.26
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300029726275	0	35	-2.0	-111.57	328.94	-3.64	-115.21
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300029726303	0	36	-2.0	-108.29	329.14	-0.08	-108.37
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300029726307	0	38	-2.0	-97.63	344.20	-2.98	-100.61
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300029726312	0	36	-2.0	-105.71	322.64	1.03	-104.68
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(C)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029726372	0	39	-2.0	-117.73	348.46	0.40	-117.33
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300029726483	0	36	-2.0	-88.62	336.48	-4.42	-93.04
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300029726516	0	36	-2.0	-99.35	328.93	-0.29	-99.64
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1	REAL300029726520	1	37	-2.0	-95.24	345.35	-1.66	-96.90
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300029726527	0	36	-2.0	-106.24	332.25	1.52	-104.72
CC1=CC(=O)C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029726570	0	37	-2.0	-97.64	328.55	0.29	-97.35
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C1	REAL300029726575	0	41	-2.0	-106.95	360.75	0.09	-106.86
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300029726613	0	36	-2.0	-121.52	317.92	1.09	-120.43
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300029726661	0	36	-2.0	-103.46	338.76	-1.91	-105.37
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C1	REAL300029726662	0	38	-2.0	-97.05	349.54	-7.39	-104.44
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C1	REAL300029726662	1	38	-2.0	-91.40	349.48	-7.33	-98.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1	REAL300029726694	0	38	-2.0	-91.67	345.03	1.26	-90.41
CN1N=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029726743	0	35	-2.0	-99.99	317.50	-3.31	-103.30
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C1	REAL300029726790	0	38	-2.0	-92.09	342.49	-2.64	-94.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300029726836	0	37	-2.0	-108.92	339.88	-2.01	-110.93
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300029726836	1	37	-2.0	-108.92	339.88	-2.01	-110.93
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300029726850	0	37	-2.0	-99.41	337.09	1.39	-98.02
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300029727010	0	36	-2.0	-97.74	334.16	-2.24	-99.98
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300029727092	0	36	-2.0	-103.29	320.95	-0.44	-103.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300029727092	1	36	-2.0	-103.29	320.95	-0.44	-103.73
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(O)C3=NC=CC=C3C=C2)C1	REAL300029727101	0	41	-2.0	-118.25	357.09	1.46	-116.79
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1	REAL300029727101	1	41	-2.0	-118.25	357.09	1.46	-116.79
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1	REAL300029727104	0	38	-2.0	-102.52	344.39	1.63	-100.89
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1	REAL300029727108	0	38	-2.0	-95.72	344.41	1.63	-94.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(Cl)C=C2O)C1	REAL300029727122	0	36	-2.0	-105.58	332.95	1.48	-104.10
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300029727122	1	36	-2.0	-105.58	332.95	1.48	-104.10
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300029727263	0	34	-2.0	-98.46	312.94	-6.24	-104.70
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300029727263	1	34	-2.0	-91.88	313.52	-5.48	-97.36
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1	REAL300029727313	0	38	-2.0	-101.31	336.95	-1.45	-102.76
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300029727361	1	41	-2.0	-109.74	357.00	2.41	-107.33
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1	REAL300029727362	0	32	-2.0	-94.40	315.91	-2.52	-96.92
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300029727390	1	36	-2.0	-107.54	327.20	-3.09	-110.63
CC1=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029727433	0	39	-2.0	-94.10	349.47	-0.50	-94.60
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300029727462	0	36	-2.0	-108.57	328.88	-0.32	-108.89
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300029727533	0	36	-2.0	-94.39	336.92	0.14	-94.25
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1	REAL300029727542	1	37	-2.0	-93.23	334.83	-1.01	-94.24
COC1=NC(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029727549	0	38	-2.0	-96.91	339.13	-5.23	-102.14
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1	REAL300029727552	0	38	-2.0	-106.47	343.72	-1.67	-108.14
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300029727565	0	35	-2.0	-100.34	327.99	0.59	-99.75
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C1	REAL300029727572	1	39	-2.0	-98.43	360.31	1.19	-97.24
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300029727619	0	36	-2.0	-99.50	330.76	0.04	-99.46
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300029727631	0	35	-2.0	-102.96	307.80	-0.65	-103.61
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029727641	0	32	-2.0	-98.20	295.13	-3.20	-101.40
CC1=C([O-])N=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029727691	1	35	-2.0	-103.48	326.77	-3.12	-106.60
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1	REAL300029727752	1	42	-2.0	-116.52	368.08	2.07	-114.45
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1	REAL300029727771	1	42	-2.0	-112.08	361.24	3.32	-108.76
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1	REAL300029727780	1	42	-2.0	-115.68	362.36	3.25	-112.43
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300029727836	1	38	-2.0	-93.72	337.67	-0.26	-93.98
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300029727876	0	35	-2.0	-103.31	333.57	-2.27	-105.58
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300029727914	1	35	-2.0	-89.96	329.80	-0.11	-90.07
CSC1=NC=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029727945	1	38	-2.0	-108.89	355.14	-1.92	-110.81
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300029727955	0	36	-2.0	-93.15	320.83	-4.83	-97.98
CCN1[N-]C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029728052	0	39	-2.0	-97.41	344.66	-0.96	-98.37
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CNC(=O)C2=NC=CC=C2[O-])C1	REAL300029728063	1	42	-2.0	-106.16	373.67	-1.63	-107.79
CN1[N-]C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029728076	0	36	-2.0	-96.24	322.93	-1.81	-98.05
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1	REAL300029728090	1	39	-2.0	-111.56	347.92	-1.95	-113.51
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300029728095	0	36	-2.0	-95.12	339.63	-3.72	-98.84
CC1=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029728097	1	38	-2.0	-118.18	351.93	-2.18	-120.36
CC1=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300029728107	1	44	-2.0	-111.82	383.73	-0.11	-111.93
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1	REAL300029728171	1	41	-2.0	-111.36	362.71	0.16	-111.20
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300029728298	1	36	-2.0	-99.07	323.09	-2.93	-102.00
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300029728305	1	36	-2.0	-98.11	320.92	-0.41	-98.52
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300029728376	0	36	-2.0	-97.56	327.12	-0.33	-97.89
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300029728382	0	35	-2.0	-100.97	324.01	-0.21	-101.18
CC1=C(CC(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029728405	0	42	-2.0	-97.64	365.87	-0.60	-98.24
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC(=O)C2=CC=C([O-])C=C2)C1	REAL300029728416	1	44	-2.0	-94.34	385.75	1.30	-93.04
CC1=CN=C(C(=O)N2CC(C)(NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029728458	1	38	-2.0	-105.98	333.24	0.71	-105.27
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1	REAL300029728477	0	37	-2.0	-107.48	349.60	-2.38	-109.86
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300029728502	0	33	-2.0	-101.69	307.35	-1.40	-103.09
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300029728529	0	36	-2.0	-107.01	320.30	0.06	-106.95
CC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1	REAL300029728537	0	36	-2.0	-99.28	338.64	1.59	-97.69
CC1(NC(=O)C2=CN([O-])C(=O)NC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029728587	0	36	-2.0	-94.16	326.14	-1.97	-96.13
CC1(NC(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029728619	1	37	-2.0	-88.07	337.21	-1.43	-89.50
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300029729784	0	43	-2.0	-100.75	353.73	-3.48	-104.23
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CN1C(=O)[N-]NC1=O	REAL300029729863	0	45	-2.0	-101.24	367.49	-1.94	-103.18
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300029730410	0	45	-2.0	-109.24	364.45	2.55	-106.69
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300029730512	0	45	-2.0	-97.27	364.92	-2.36	-99.63
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=COC(=O)[N-]1	REAL300029730523	1	41	-2.0	-88.90	337.39	-2.45	-91.35
CCN1[N-]C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)=CC1=O	REAL300029730679	0	48	-2.0	-95.95	386.50	1.07	-94.88
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CC1=CC(=O)N[N-]1	REAL300029730686	1	45	-2.0	-103.23	362.48	-0.91	-104.14
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=CC=CC(=S)N1[O-]	REAL300029730702	0	45	-2.0	-123.78	373.08	4.56	-119.22
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CC1SC(=O)[N-]C1=O	REAL300029730711	0	45	-2.0	-92.97	375.65	-2.46	-95.43
CN1N=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)[N-]C1=O	REAL300029730724	0	44	-2.0	-99.19	359.18	-1.40	-100.59
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=C[N-]N=CC1=O	REAL300029730806	0	43	-2.0	-95.21	346.04	0.61	-94.60
CC1=C(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C(=O)N(C)[N-]1	REAL300029730847	0	51	-2.0	-100.76	405.29	1.50	-99.26
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=CC(=O)N[N-]1	REAL300029730901	0	42	-2.0	-91.92	341.86	-1.61	-93.53
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300029730905	0	47	-2.0	-95.51	376.31	0.10	-95.41
CN1[N-]C(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)=CC1=O	REAL300029730908	0	48	-2.0	-106.17	385.31	0.81	-105.36
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=CC=CN([O-])C1=O	REAL300029730936	0	45	-2.0	-98.46	362.02	2.63	-95.83
CC1=C([O-])N=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)S1	REAL300029730963	1	44	-2.0	-108.41	368.94	-1.28	-109.69
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029730975	1	44	-2.0	-94.99	372.32	1.90	-93.09
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300029730989	0	45	-2.0	-110.18	364.82	2.54	-107.64
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300029731023	0	45	-2.0	-122.83	361.97	3.53	-119.30
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C[N-]C(=O)C(F)(F)F	REAL300029731134	0	44	-2.0	-97.55	371.94	-1.65	-99.20
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CC1=C([O-])N=C(N)S1	REAL300029731135	0	46	-2.0	-113.20	383.20	-2.57	-115.77
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CC1=NC([O-])=CS1	REAL300029731175	0	44	-2.0	-116.21	368.33	-1.63	-117.84
CCC1=NC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)C(=O)[N-]1	REAL300029731189	1	49	-2.0	-89.47	386.91	0.92	-88.55
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CN1N=CC(=O)[N-]C1=O	REAL300029731198	0	46	-2.0	-106.16	377.89	-3.13	-109.29
CC1=CC(=O)C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)=N[N-]1	REAL300029731390	0	46	-2.0	-103.91	370.92	2.39	-101.52
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=NC(=O)N[N-]1	REAL300029731404	0	41	-2.0	-89.84	336.55	-2.88	-92.72
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=CN=C(C=N[O-])S1	REAL300029731502	0	44	-2.0	-105.64	377.19	0.05	-105.59
COC1=NC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)=CC(=O)[N-]1	REAL300029731516	0	47	-2.0	-96.68	382.68	-3.56	-100.24
CN1[N-]C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)=CC1=O	REAL300029731661	0	45	-2.0	-94.87	364.69	0.13	-94.74
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CSC1=NNC(=O)[N-]1	REAL300029731668	0	45	-2.0	-96.60	378.83	-1.79	-98.39
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029731809	0	43	-2.0	-89.80	354.98	-4.66	-94.46
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029731809	1	43	-2.0	-96.27	355.94	-3.69	-99.96
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300029731947	0	47	-2.0	-104.43	383.65	-1.03	-105.46
CC1(C)CCN(C(=O)C2=NC=CC=C2[O-])CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029732199	1	44	-2.0	-112.06	354.16	2.58	-109.48
CC1(C)CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029732330	0	43	-2.0	-99.62	353.74	-3.26	-102.88
CC1(C)CCN(C(=O)CN2C(=O)[N-]NC2=O)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029732510	0	45	-2.0	-103.21	370.74	-1.76	-104.97
CC1(C)CCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029733999	1	45	-2.0	-108.80	378.76	2.71	-106.09
CC1(C)CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734025	1	46	-2.0	-93.01	383.39	2.35	-90.66
CCC1=NC=C(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029734117	1	49	-2.0	-104.47	396.05	0.83	-103.64
CC1(C)CCN(C(=O)C2=COC(=O)[N-]2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734136	1	41	-2.0	-93.07	337.11	-0.90	-93.97
CC1(C)CCN(C(=O)C[N-]C(=O)C(F)(F)F)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734207	0	44	-2.0	-93.55	375.18	-1.46	-95.01
CC1(C)CCN(C(=O)CC2=C([O-])N=C(N)S2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734208	0	46	-2.0	-117.70	386.38	-2.26	-119.96
CC1(C)CCN(C(=O)C2=C(F)C=C([O-])C=C2F)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734218	0	45	-2.0	-97.27	378.79	2.23	-95.04
CC1(C)CCN(C(=O)C2=CC=C([O-])C=C2F)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734234	1	45	-2.0	-96.30	368.68	1.96	-94.34
CC1(C)CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734240	0	44	-2.0	-90.03	364.47	1.35	-88.68
CC1(C)CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734248	1	46	-2.0	-89.04	382.71	2.31	-86.73
CC1(C)CCN(C(=O)C2=CC(Cl)=NC=C2[O-])CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734251	0	44	-2.0	-102.72	375.15	0.73	-101.99
CC1(C)CCN(C(=O)CN2N=CC(=O)[N-]C2=O)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734269	0	46	-2.0	-108.79	381.06	-2.87	-111.66
CC1=CC=C([O-])C(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029734334	1	47	-2.0	-120.89	375.70	3.23	-117.66
CC1(C)CCN(C(=O)CCC2=NC(=O)[N-]N2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734336	1	47	-2.0	-104.18	380.98	-1.56	-105.74
CC1(C)CCN(C(=O)C2=C[N-]N=CC2=O)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734355	0	43	-2.0	-91.97	355.18	0.41	-91.56
CC1(C)CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734366	0	45	-2.0	-117.36	369.34	2.32	-115.04
CC1(C)CCN(C(=O)C2=CC=CC([O-])=C2F)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734465	1	45	-2.0	-109.43	368.52	1.95	-107.48
CC1(C)CCN(C(=O)C2=CC(=O)N[N-]2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734576	0	42	-2.0	-91.71	341.66	-1.08	-92.79
CC1(C)CCN(C(=O)C(=O)[PH](C)(C)[O-])CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734582	0	47	-2.0	-98.73	376.80	0.53	-98.20
CC1(C)CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734680	0	45	-2.0	-102.92	372.15	2.58	-100.34
CC1(C)CCN(C(=O)C2=NNC(=O)[N-]2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734706	0	41	-2.0	-96.08	336.70	-2.55	-98.63
CC1(C)CCN(C(=O)C2=C(O)C=CC=C2Cl)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734709	0	45	-2.0	-115.42	381.74	2.60	-112.82
CC1(C)CCN(C(=O)C2=C([O-])C=CC=C2Cl)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734709	1	45	-2.0	-115.42	381.74	2.60	-112.82
CC1(C)CCN(C(=O)C2=CC=CN([O-])C2=O)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734714	0	45	-2.0	-137.17	371.58	2.64	-134.53
CC1(C)CCN(C(=O)C2=C(F)C=CC(O)=C2F)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734743	0	45	-2.0	-96.94	378.62	2.12	-94.82
CC1(C)CCN(C(=O)C2=C(F)C=CC([O-])=C2F)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734743	1	45	-2.0	-96.94	378.62	2.12	-94.82
CC1(C)CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734887	0	45	-2.0	-91.25	376.75	2.41	-88.84
CC1(C)CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029734892	1	45	-2.0	-107.80	368.44	2.27	-105.53
CC1=CC=NC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029734957	1	47	-2.0	-112.66	377.00	2.71	-109.95
CC1(C)CCN(C(=O)C2=CN=CC([O-])=C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735078	1	44	-2.0	-99.09	356.36	-0.02	-99.11
CC1(C)CCN(C(=O)C2=CC=CC(=S)N2[O-])CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735088	0	45	-2.0	-126.31	382.98	2.98	-123.33
CC1(C)CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735205	0	44	-2.0	-85.83	372.93	1.38	-84.45
CC1(C)CCN(C(=O)C2=CC=C([O-])C=C2Cl)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735249	1	45	-2.0	-94.29	377.35	2.38	-91.91
CC1(C)CCN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735251	0	48	-2.0	-106.50	395.79	0.51	-105.99
CC1(C)CCN(C(=O)CC2=NC([O-])=CS2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735261	0	44	-2.0	-117.48	371.59	-1.38	-118.86
CC1(C)CCN(C(=O)C2=C([O-])C=CC=C2F)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735276	0	45	-2.0	-107.08	372.25	2.22	-104.86
CC1(C)CCN(C(=O)CN2[N-]C(=O)C=CC2=O)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735278	0	47	-2.0	-103.83	386.83	-0.77	-104.60
CC1(C)CCN(C(=O)C2=CC=C(F)C=C2[O-])CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735279	0	45	-2.0	-111.69	368.43	2.27	-109.42
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC(C)(C)C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029735316	0	48	-2.0	-106.52	391.69	2.70	-103.82
CC1(C)CCN(C(=O)CC2SC(=O)[N-]C2=O)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735387	0	45	-2.0	-93.41	379.31	-2.13	-95.54
CC1(C)CCN(C(=O)C2=CC=C([O-])C(F)=C2F)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735412	0	45	-2.0	-98.51	374.75	2.02	-96.49
CC1(C)CCN(C(=O)C2=CC=CC(Cl)=C2[O-])CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735419	0	45	-2.0	-111.68	379.14	2.80	-108.88
CC1=CC(=O)C(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029735448	0	46	-2.0	-99.38	370.94	2.62	-96.76
CC1(C)CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735474	0	45	-2.0	-123.37	371.87	2.35	-121.02
CC1(C)CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735504	0	45	-2.0	-98.27	381.00	0.36	-97.91
CN1N=C(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029735556	0	44	-2.0	-99.49	359.19	-0.92	-100.41
CC1(C)CCN(C(=O)C2=C(F)C=CC(O)=C2O)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735610	0	46	-2.0	-103.85	383.00	0.21	-103.64
CC1(C)CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735610	1	46	-2.0	-103.85	383.00	0.21	-103.64
CC1(C)CCN(C(=O)C2=CC(C#N)=CC=C2[O-])CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735619	0	46	-2.0	-104.44	382.87	2.63	-101.81
CC1(C)CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735714	0	45	-2.0	-102.36	376.96	-0.05	-102.41
CC1(C)CCN(C(=O)C2=CC=C(F)C(O)=C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735770	0	45	-2.0	-92.17	366.98	1.88	-90.29
CC1(C)CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735770	1	45	-2.0	-92.17	366.98	1.88	-90.29
CC1(C)CCN(C(=O)C2=CC=C(Cl)C=C2O)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735789	0	45	-2.0	-111.57	378.76	2.70	-108.87
CC1(C)CCN(C(=O)C2=CC=C(Cl)C=C2[O-])CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735789	1	45	-2.0	-111.57	378.76	2.70	-108.87
CC1(C)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735861	0	43	-2.0	-87.94	355.50	-3.57	-91.51
CC1(C)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735861	1	43	-2.0	-86.55	356.12	-2.80	-89.35
CC1(C)CCN(C(=O)C2=CN=C(N)[N-]C2=O)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735921	1	45	-2.0	-91.56	362.54	-1.01	-92.57
CC1=C(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029735943	0	48	-2.0	-97.59	400.83	0.75	-96.84
CC1(C)CCN(C(=O)C2=CC=C(F)C([O-])=C2F)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029735957	0	45	-2.0	-110.01	374.70	2.02	-107.99
COC1=NC(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029736004	0	47	-2.0	-96.97	384.65	-2.67	-99.64
CC1(C)CCN(C(=O)C2=NC=CC(Cl)=C2[O-])CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736014	0	44	-2.0	-108.55	372.90	2.54	-106.01
CC1(C)CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736052	0	45	-2.0	-89.25	377.24	2.39	-86.86
CC1(C)CCN(C(=O)C2=CC=NC=C2[O-])CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736061	0	44	-2.0	-110.95	357.10	0.27	-110.68
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736067	0	41	-2.0	-94.11	336.96	-0.99	-95.10
CC1=C([O-])N=C(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029736092	1	44	-2.0	-92.30	369.01	-0.30	-92.60
CC1(C)CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736188	1	47	-2.0	-93.15	388.46	1.91	-91.24
CC1(C)CCN(C(=O)C2=CN=C(C=N[O-])S2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736211	0	44	-2.0	-102.83	377.35	-0.09	-102.92
CC1(C)CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736235	1	44	-2.0	-89.29	374.00	2.30	-86.99
CC1(C)CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736259	0	45	-2.0	-96.76	372.06	-2.25	-99.01
CCN1[N-]C(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029736320	0	48	-2.0	-104.03	386.54	1.67	-102.36
CN1[N-]C(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029736341	0	45	-2.0	-95.00	364.74	0.64	-94.36
CC1(C)CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736351	0	45	-2.0	-102.38	382.03	-1.34	-103.72
CC1(C)CCN(C(=O)CC2=CC(=O)N[N-]2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736488	1	45	-2.0	-105.87	365.74	-0.67	-106.54
CC1(C)CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736493	1	45	-2.0	-93.85	367.37	1.96	-91.89
CC1(C)CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736541	0	45	-2.0	-101.96	374.34	2.10	-99.86
CC1(C)CCN(C(=O)C2=CC=NC(Cl)=C2[O-])CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736546	0	44	-2.0	-107.81	374.46	0.78	-107.03
CC1=C(CC(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029736561	0	51	-2.0	-109.56	408.61	1.73	-107.83
CC1=CN=C(C(=O)N2CCC(C)(C)C(NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029736598	1	47	-2.0	-114.35	378.14	2.66	-111.69
CC1(C)CCN(C(=O)C2=CC([O-])=CS2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736621	0	42	-2.0	-102.79	352.23	0.80	-101.99
CC1(C)CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1NC(=O)C1=CC(=O)[N-]O1	REAL300029736637	0	45	-2.0	-110.25	372.29	2.58	-107.67
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300029736665	0	45	-2.0	-98.02	367.29	0.19	-97.83
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=COC(=O)[N-]1	REAL300029737401	1	45	-2.0	-92.50	360.66	-1.28	-93.78
O=C(CC1=CC(=O)N[N-]1)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737475	1	49	-2.0	-99.25	386.16	0.35	-98.90
CN1N=C(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)[N-]C1=O	REAL300029737482	0	48	-2.0	-100.55	382.81	-0.08	-100.63
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=C[N-]N=CC1=O	REAL300029737511	0	47	-2.0	-89.55	370.03	1.99	-87.56
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC(=O)N[N-]1	REAL300029737544	0	46	-2.0	-91.63	365.81	-0.17	-91.80
C[PH](C)([O-])C(=O)C(=O)NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300029737547	0	51	-2.0	-91.84	403.95	1.04	-90.80
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=NC(=O)N[N-]1	REAL300029737706	0	45	-2.0	-91.87	360.41	-1.46	-93.33
CN1[N-]C(C(=O)NC2CCCC23CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=CC1=O	REAL300029737785	0	49	-2.0	-94.18	388.54	1.54	-92.64
O=C(NC1CCCC12CCN(C(=O)C1=NC=CC=C1[O-])CC2)C1=CC(=O)[N-]O1	REAL300029738135	1	48	-2.0	-107.43	377.76	3.88	-103.55
O=C(NC1CCCC12CCN(C(=O)C1=COC(=O)[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300029738695	1	45	-2.0	-88.51	360.78	0.32	-88.19
O=C(NC1CCCC12CCN(C(=O)C1=C[N-]N=CC1=O)CC2)C1=CC(=O)[N-]O1	REAL300029738777	0	47	-2.0	-86.40	373.29	1.70	-84.70
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)N[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300029738850	0	46	-2.0	-91.22	365.63	0.24	-90.98
C[PH](C)([O-])C(=O)C(=O)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029738854	0	51	-2.0	-91.72	404.76	1.18	-90.54
O=C(NC1CCCC12CCN(C(=O)C1=NC(=O)N[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300029738888	0	45	-2.0	-92.78	360.40	-0.38	-93.16
O=C(NC1CCCC12CCN(C(=O)C1=CN=CC([O-])=C1)CC2)C1=CC(=O)[N-]O1	REAL300029739019	1	48	-2.0	-94.04	381.05	1.42	-92.62
CN1N=C(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300029739147	0	48	-2.0	-99.79	382.75	0.43	-99.36
O=C(NC1CCCC12CCN(C(=O)C1=CC=NC=C1[O-])CC2)C1=CC(=O)[N-]O1	REAL300029739306	0	48	-2.0	-109.79	380.64	1.61	-108.18
O=C(NC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC(=O)[N-]O1	REAL300029739309	0	45	-2.0	-94.97	360.55	0.31	-94.66
CN1[N-]C(C(=O)N2CCC3(CCCC3NC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029739404	0	49	-2.0	-94.25	388.43	1.97	-92.28
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CCCC2NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300029739458	1	49	-2.0	-102.52	389.38	0.64	-101.88
O=C(NC1CCCC12CCN(C(=O)C1=CC([O-])=CS1)CC2)C1=CC(=O)[N-]O1	REAL300029739506	0	46	-2.0	-105.54	375.06	2.08	-103.46
O=C(CCCN1C(=O)[N-]NC1=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740619	0	45	-2.0	-93.46	385.52	-1.94	-95.40
O=C(CCC1=NNC(=O)[N-]C1=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740826	0	43	-2.0	-93.62	371.93	-4.58	-98.20
CC(=O)[N-]C1=NC(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)=CS1	REAL300029740827	1	41	-2.0	-86.38	367.48	-1.17	-87.55
O=C(CCN1C=C[N-]C(=O)C1=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029740978	1	44	-2.0	-95.06	379.35	-0.52	-95.58
COC1=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)NC(=O)[N-]C1=O	REAL300029741084	1	42	-2.0	-92.63	363.05	-3.48	-96.11
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=NNC(=O)[N-]C1=O	REAL300029741193	0	37	-2.0	-88.99	330.48	-4.66	-93.65
O=C(CN1C(=O)[N-]NC1=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029741309	0	39	-2.0	-93.33	343.15	-3.11	-96.44
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CN([O-])C(=O)C=C1	REAL300029742146	0	39	-2.0	-106.25	338.67	1.43	-104.82
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC(=O)NC([O-])=C1	REAL300029742305	0	39	-2.0	-83.60	342.04	-3.41	-87.01
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=COC(=O)[N-]1	REAL300029742317	1	35	-2.0	-85.43	314.12	-3.55	-88.98
O=C([N-]C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C(F)(F)C(F)(F)F	REAL300029742436	0	34	-2.0	-81.10	315.90	-0.30	-81.40
CCN1[N-]C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)=CC1=O	REAL300029742540	0	42	-2.0	-91.66	361.89	-0.09	-91.75
O=C(CC1=CC(=O)N[N-]1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742548	1	39	-2.0	-96.03	338.34	-1.98	-98.01
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC=CC(=S)N1[O-]	REAL300029742571	0	39	-2.0	-125.81	347.04	3.30	-122.51
O=C(CC1SC(=O)[N-]C1=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742585	0	39	-2.0	-82.94	352.73	-3.42	-86.36
CN1N=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)[N-]C1=O	REAL300029742604	0	38	-2.0	-89.67	336.24	-2.37	-92.04
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=C[N-]N=CC1=O	REAL300029742718	0	37	-2.0	-82.49	322.09	-0.54	-83.03
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC=C2N=NN([O-])C2=C1	REAL300029742757	0	41	-2.0	-95.97	358.11	0.01	-95.96
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC(=O)N[N-]1	REAL300029742855	0	36	-2.0	-88.30	317.34	-2.74	-91.04
C[PH](C)([O-])C(=O)C(=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742860	0	41	-2.0	-88.58	350.54	-1.30	-89.88
CN1[N-]C(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)=CC1=O	REAL300029742863	0	42	-2.0	-95.35	361.57	-0.25	-95.60
O=C(CCC1=NC(=O)[N-]N1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029742900	1	41	-2.0	-98.00	353.64	-3.05	-101.05
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC=CN([O-])C1=O	REAL300029742908	0	39	-2.0	-102.70	337.90	1.52	-101.18
CSC1=NC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C(=O)[N-]1	REAL300029742927	1	41	-2.0	-88.64	364.41	-0.57	-89.21
CC1=C([O-])N=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)S1	REAL300029742951	1	38	-2.0	-91.50	345.70	-2.47	-93.97
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC(=O)C=C(Cl)[N-]1	REAL300029742969	1	38	-2.0	-82.63	348.18	0.69	-81.94
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC(=O)N([O-])C=C1	REAL300029742991	0	39	-2.0	-101.01	341.93	1.49	-99.52
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC=CC(=O)N1[O-]	REAL300029743050	0	39	-2.0	-116.22	335.58	2.24	-113.98
O=C(C[N-]C(=O)C(F)(F)F)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743218	0	38	-2.0	-84.61	347.84	-2.83	-87.44
NC1=NC([O-])=C(CC(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)S1	REAL300029743219	0	40	-2.0	-102.56	359.00	-3.56	-106.12
O=C(CC1=NC([O-])=CS1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743278	0	38	-2.0	-109.65	343.83	-2.82	-112.47
O=C(CN1N=CC(=O)[N-]C1=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029743315	0	40	-2.0	-94.37	354.94	-4.09	-98.46
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=C(Cl)C(=O)[N-]S1	REAL300029743391	0	35	-2.0	-88.90	334.95	-1.41	-90.31
COCC1=NC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C(=O)N1	REAL300029743497	0	44	-2.0	-88.40	376.09	-1.88	-90.28
COCC1=NC=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C(=O)[N-]1	REAL300029743497	1	44	-2.0	-88.40	376.09	-1.88	-90.28
CC1=CC(=O)C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)=N[N-]1	REAL300029743596	0	40	-2.0	-88.73	347.68	1.21	-87.52
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=NNC(=O)[N-]1	REAL300029743615	0	35	-2.0	-86.81	313.43	-4.03	-90.84
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029743640	0	40	-2.0	-86.67	354.90	0.31	-86.36
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029743640	1	40	-2.0	-86.67	354.90	0.31	-86.36
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CN=C(C=N[O-])S1	REAL300029743775	0	38	-2.0	-95.90	354.30	-0.98	-96.88
CN1[N-]C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)=CC1=O	REAL300029744008	0	39	-2.0	-88.09	338.77	-0.95	-89.04
O=C(CSC1=NNC(=O)[N-]1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029744020	0	39	-2.0	-93.50	353.01	-2.82	-96.32
CC1=C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2F)C(=S)[N-]C(=O)N1	REAL300029744021	1	41	-2.0	-95.84	367.68	-1.62	-97.46
O=C([N-]C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C(F)(F)C(F)F	REAL300029744154	0	34	-2.0	-82.31	309.81	-0.43	-82.74
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=NC(=O)[N-]C(=O)N1	REAL300029744234	0	37	-2.0	-91.75	330.79	-5.67	-97.42
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=NC(=O)NC(=O)[N-]1	REAL300029744234	1	37	-2.0	-81.60	332.69	-4.88	-86.48
O=C(COC1=NC(=O)[N-]C(=O)N1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029744306	0	41	-2.0	-94.68	362.93	-6.55	-101.23
O=C(COC1=NC(=O)NC(=O)[N-]1)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029744306	1	41	-2.0	-85.63	364.55	-6.53	-92.16
O=C(CN1[N-]C(=O)C=CC1=O)NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F	REAL300029744442	0	41	-2.0	-92.51	360.70	-1.99	-94.50
O=C(NC1CCN(C(=O)C2=NC=CC=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029744700	1	38	-2.0	-100.48	329.63	1.45	-99.03
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029744817	1	44	-2.0	-99.31	382.14	-0.24	-99.55
CC(=O)[N-]C1=NC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=CS1	REAL300029744829	1	41	-2.0	-80.86	366.04	-0.42	-81.28
O=C(NC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1F)C1=CC(=O)[N-]O1	REAL300029744860	0	37	-2.0	-91.19	328.59	-4.63	-95.82
COC1=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)NC(=O)[N-]C1=O	REAL300029744912	1	42	-2.0	-91.60	372.45	-4.67	-96.27
O=C(CN1C(=O)[N-]NC1=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029745078	0	39	-2.0	-93.96	346.19	-2.90	-96.86
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029746036	0	45	-2.0	-90.73	389.94	-1.62	-92.35
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747066	0	43	-2.0	-89.11	377.67	-4.34	-93.45
O=C(NC1CCN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029747076	0	41	-2.0	-88.18	363.95	2.57	-85.61
O=C(NC1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029747090	1	39	-2.0	-92.53	352.83	2.47	-90.06
N#CC1=CC([O-])=CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=C1	REAL300029747121	1	40	-2.0	-87.31	360.13	1.17	-86.14
NC1=CC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C([O-])=C1Cl	REAL300029747146	0	41	-2.0	-97.40	367.03	0.08	-97.32
O=C(NC1CCN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029747208	0	41	-2.0	-101.42	364.09	3.21	-98.21
O=C(NC1CCN(C(=O)C2=COC(=O)[N-]2)CC1F)C1=CC(=O)[N-]O1	REAL300029747262	1	35	-2.0	-84.06	312.96	-2.10	-86.16
O=C(NC1CCN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029747339	0	41	-2.0	-99.91	367.59	1.81	-98.10
O=C(C[N-]C(=O)C(F)(F)F)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747357	0	38	-2.0	-83.37	351.91	-2.56	-85.93
NC1=NC([O-])=C(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)S1	REAL300029747358	0	40	-2.0	-108.45	361.83	-3.40	-111.85
O=C(NC1CCN(C(=O)C2=C(F)C=C([O-])C=C2F)CC1F)C1=CC(=O)[N-]O1	REAL300029747369	0	39	-2.0	-86.70	354.24	1.02	-85.68
O=C(NC1CCN(C(=O)C2=CC=C([O-])C=C2F)CC1F)C1=CC(=O)[N-]O1	REAL300029747390	1	39	-2.0	-92.51	344.51	0.86	-91.65
O=C(NC1CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1F)C1=CC(=O)[N-]O1	REAL300029747398	0	38	-2.0	-86.82	340.19	0.22	-86.60
N#CC1=CC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C=C1[O-]	REAL300029747408	1	40	-2.0	-85.58	357.62	1.17	-84.41
O=C(NC1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029747412	0	38	-2.0	-89.02	348.12	0.53	-88.49
N#CC1=CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=C(N)[N-]C1=O	REAL300029747419	0	41	-2.0	-90.22	367.14	-2.24	-92.46
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747436	0	40	-2.0	-95.04	357.80	-3.98	-99.02
CC1=CC=C([O-])C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=N1	REAL300029747518	1	41	-2.0	-99.93	349.58	1.97	-97.96
O=C(CCC1=NC(=O)[N-]N1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747521	1	41	-2.0	-96.12	357.70	-2.73	-98.85
O=C(NC1CCN(C(=O)C2=C[N-]N=CC2=O)CC1F)C1=CC(=O)[N-]O1	REAL300029747544	0	37	-2.0	-88.37	331.35	-0.69	-89.06
O=C(NC1CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029747557	0	39	-2.0	-108.45	341.44	2.02	-106.43
O=C(NC1CCN(C(=O)C2=CC=CC([O-])=C2F)CC1F)C1=CC(=O)[N-]O1	REAL300029747679	1	39	-2.0	-104.39	341.75	0.80	-103.59
O=C(NC1CCN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029747758	0	41	-2.0	-87.20	363.42	2.55	-84.65
O=C(NC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1F)C1=CC(=O)[N-]O1	REAL300029747823	0	36	-2.0	-85.78	317.84	-2.17	-87.95
C[PH](C)([O-])C(=O)C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029747831	0	41	-2.0	-85.10	351.28	-1.24	-86.34
COCC1=NC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C(=O)[N-]1	REAL300029747895	1	44	-2.0	-98.52	385.14	-2.12	-100.64
O=C(NC1CCN(C(=O)C2=CC(F)=CC(F)=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029747924	0	39	-2.0	-94.30	348.48	1.18	-93.12
O=C(NC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029747954	0	39	-2.0	-99.89	348.39	1.50	-98.39
O=C(NC1CCN(C(=O)C2=NC(=O)N[N-]2)CC1F)C1=CC(=O)[N-]O1	REAL300029747989	0	35	-2.0	-83.64	310.59	-2.87	-86.51
O=C(NC1CCN(C(=O)C2=C([O-])C=CC=C2Cl)CC1F)C1=CC(=O)[N-]O1	REAL300029747994	1	39	-2.0	-92.31	356.00	1.38	-90.93
O=C(NC1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1F)C1=CC(=O)[N-]O1	REAL300029748002	0	39	-2.0	-111.95	345.43	1.35	-110.60
O=C(NC1CCN(C(=O)C2=C(F)C=CC([O-])=C2F)CC1F)C1=CC(=O)[N-]O1	REAL300029748036	1	39	-2.0	-92.01	352.41	0.94	-91.07
NC1=CC(=O)[N-]C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=N1	REAL300029748150	0	39	-2.0	-95.63	342.07	-2.62	-98.25
O=C(NC1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029748219	0	39	-2.0	-84.87	353.42	1.32	-83.55
O=C(NC1CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029748226	1	39	-2.0	-92.04	342.52	2.04	-90.00
CC1=CC=NC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=C1[O-]	REAL300029748316	1	41	-2.0	-100.53	350.29	2.14	-98.39
O=C(NC1CCN(C(=O)C2=CN=CC([O-])=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029748485	1	38	-2.0	-89.61	333.22	-1.13	-90.74
O=C(NC1CCN(C(=O)C2=CC=CC(=S)N2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029748498	0	39	-2.0	-113.87	359.46	1.90	-111.97
NC1=CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=CC([O-])=C1Cl	REAL300029748652	1	41	-2.0	-98.02	366.69	-0.77	-98.79
O=C(NC1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC1F)C1=CC(=O)[N-]O1	REAL300029748657	0	38	-2.0	-81.73	346.37	0.23	-81.50
O=C(NC1CCN(C(=O)C2=CC=C([O-])C=C2Cl)CC1F)C1=CC(=O)[N-]O1	REAL300029748719	1	39	-2.0	-91.30	353.20	1.27	-90.03
N#CC1=CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=C([O-])C=C1N	REAL300029748722	0	42	-2.0	-91.09	372.25	-0.11	-91.20
O=C(CC1=NC([O-])=CS1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748734	0	38	-2.0	-107.12	347.03	-2.53	-109.65
O=C(NC1CCN(C(=O)C2=C([O-])C=CC=C2F)CC1F)C1=CC(=O)[N-]O1	REAL300029748755	0	39	-2.0	-93.47	348.10	1.04	-92.43
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748758	0	41	-2.0	-90.84	363.57	-1.88	-92.72
O=C(NC1CCN(C(=O)C2=CC=C(F)C=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029748760	0	39	-2.0	-100.40	344.27	1.18	-99.22
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748807	0	42	-2.0	-99.04	365.49	1.53	-97.51
O=C(CC1SC(=O)[N-]C1=O)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748895	0	39	-2.0	-84.28	356.05	-3.22	-87.50
O=C(NC1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)CC1F)C1=CC(=O)[N-]O1	REAL300029748927	0	39	-2.0	-93.12	348.56	0.84	-92.28
O=C(NC1CCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CC1F)C1=CC(=O)[N-]O1	REAL300029748930	1	40	-2.0	-80.25	358.64	-0.64	-80.89
O=C(NC1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029748936	0	39	-2.0	-102.83	351.25	2.50	-100.33
CC1=CC(=O)C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=N[N-]1	REAL300029748972	0	40	-2.0	-90.41	345.77	1.25	-89.16
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029748978	0	44	-2.0	-102.13	377.89	1.16	-100.97
O=C(NC1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029749008	0	39	-2.0	-111.82	346.98	1.21	-110.61
N#CC1=CC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C(=O)[N-]1	REAL300029749050	0	39	-2.0	-94.65	357.12	-0.84	-95.49
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749051	0	41	-2.0	-92.88	367.40	-6.27	-99.15
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749051	1	41	-2.0	-86.92	367.34	-6.22	-93.14
O=C(NC1CCN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029749080	0	41	-2.0	-86.43	362.94	2.25	-84.18
CN1N=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)[N-]C1=O	REAL300029749124	0	38	-2.0	-88.88	336.05	-2.00	-90.88
[N-]=[N+]=NC1=CC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=CC=C1[O-]	REAL300029749157	0	41	-2.0	-85.65	366.74	-1.36	-87.01
O=C(NC1CCN(C(=O)C2=C(F)C=CC(O)=C2O)CC1F)C1=CC(=O)[N-]O1	REAL300029749199	0	40	-2.0	-92.94	359.73	-0.89	-93.83
O=C(NC1CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029749199	1	40	-2.0	-92.94	359.73	-0.89	-93.83
N#CC1=CC=C([O-])C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=C1	REAL300029749209	0	40	-2.0	-89.63	356.96	2.37	-87.26
O=C(NC1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1F)C1=CC(=O)[N-]O1	REAL300029749334	0	39	-2.0	-92.40	352.39	-1.19	-93.59
O=C(NC1CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029749399	1	39	-2.0	-88.94	343.66	0.79	-88.15
O=C(NC1CCN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029749410	0	41	-2.0	-97.57	366.02	1.77	-95.80
O=C(NC1CCN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029749413	0	41	-2.0	-90.53	363.00	2.60	-87.93
O=C(NC1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029749426	1	39	-2.0	-100.11	354.59	1.63	-98.48
O=C(NC1CCN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029749447	0	41	-2.0	-85.57	366.17	1.43	-84.14
O=C(NC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1F)C1=CC(=O)[N-]O1	REAL300029749524	0	37	-2.0	-86.38	331.14	-4.60	-90.98
O=C(NC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1F)C1=CC(=O)[N-]O1	REAL300029749524	1	37	-2.0	-84.39	331.39	-3.95	-88.34
O=C(NC1CCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029749558	0	41	-2.0	-102.28	360.24	-0.19	-102.47
O=C(NC1CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)CC1F)C1=CC(=O)[N-]O1	REAL300029749599	0	35	-2.0	-89.47	335.10	-1.54	-91.01
CC1=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)[N-]C(=O)C(C#N)=C1	REAL300029749653	0	42	-2.0	-95.12	376.45	-0.40	-95.52
O=C(NC1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)CC1F)C1=CC(=O)[N-]O1	REAL300029749673	0	39	-2.0	-100.39	348.51	0.82	-99.57
O=C(NC1CCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029749733	1	40	-2.0	-88.23	359.27	0.28	-87.95
COC1=NC(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=CC(=O)[N-]1	REAL300029749739	0	41	-2.0	-90.33	356.08	-3.65	-93.98
O=C(NC1CCN(C(=O)C2=CC=C3N[N-]N=C3C2=O)CC1F)C1=CC(=O)[N-]O1	REAL300029749741	0	41	-2.0	-89.36	361.89	-0.60	-89.96
O=C(NC1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029749754	0	38	-2.0	-96.96	346.16	1.96	-95.00
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029749760	1	42	-2.0	-97.09	378.17	2.30	-94.79
O=C(NC1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029749801	0	39	-2.0	-85.23	353.48	1.29	-83.94
O=C(NC1CCN(C(=O)C2=CC=NC=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029749812	0	38	-2.0	-99.11	328.38	0.03	-99.08
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC(=O)[N-]O1	REAL300029749822	0	35	-2.0	-91.93	312.41	-2.12	-94.05
CC1=C([O-])N=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)S1	REAL300029749856	1	38	-2.0	-89.99	344.83	-1.39	-91.38
O=C(NC1CCN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)CC1F)C1=CC(=O)[N-]O1	REAL300029749904	1	45	-2.0	-96.19	387.97	3.19	-93.00
O=C(NC1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029749923	1	45	-2.0	-104.64	378.31	4.23	-100.41
O=C(NC1CCN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029749931	1	45	-2.0	-106.55	381.80	3.78	-102.77
O=C(NC1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029749978	1	41	-2.0	-87.44	365.21	0.82	-86.62
O=C(NC1CCN(C(=O)C2=CN=C(C=N[O-])S2)CC1F)C1=CC(=O)[N-]O1	REAL300029750012	0	38	-2.0	-101.18	352.07	-1.22	-102.40
O=C(NC1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1F)C1=CC(=O)[N-]O1	REAL300029750045	1	38	-2.0	-83.41	349.82	1.17	-82.24
CSC1=NC=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C(=O)[N-]1	REAL300029750070	1	41	-2.0	-99.61	373.51	-0.85	-100.46
O=C(NC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029750077	0	39	-2.0	-85.10	346.83	-3.47	-88.57
CCN1[N-]C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=CC1=O	REAL300029750157	0	42	-2.0	-89.24	362.39	0.47	-88.77
CN1[N-]C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)=CC1=O	REAL300029750179	0	39	-2.0	-87.44	338.58	-0.53	-87.97
O=C(CSC1=NNC(=O)[N-]1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029750196	0	39	-2.0	-89.15	358.76	-2.52	-91.67
CC1=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C(=S)[N-]C(=O)N1	REAL300029750198	1	41	-2.0	-100.36	371.02	-1.24	-101.60
O=C(CC1=CC(=O)N[N-]1)N1CCC(NC(=O)C2=CC(=O)[N-]O2)C(F)C1	REAL300029750371	1	39	-2.0	-93.15	342.45	-1.77	-94.92
O=C(NC1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029750377	1	39	-2.0	-88.30	343.65	0.83	-87.47
O=C(NC1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029750438	0	39	-2.0	-93.12	350.39	0.91	-92.21
O=C(NC1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029750444	0	38	-2.0	-93.25	347.46	0.56	-92.69
CC1=C(CC(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C(=O)N(C)[N-]1	REAL300029750464	0	45	-2.0	-94.91	384.06	0.59	-94.32
CC1=CN=C(C(=O)N2CCC(NC(=O)C3=CC(=O)[N-]O3)C(F)C2)C([O-])=C1	REAL300029750512	1	41	-2.0	-96.26	352.31	2.11	-94.15
O=C(NC1CCN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])CC1F)C1=CC(=O)[N-]O1	REAL300029750526	0	40	-2.0	-95.79	368.19	-1.28	-97.07
O=C(NC1CCN(C(=O)C2=CC([O-])=CS2)CC1F)C1=CC(=O)[N-]O1	REAL300029750546	0	36	-2.0	-96.65	326.09	-0.37	-97.02
O=C(NC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1F)C1=CC(=O)[N-]O1	REAL300029750568	0	39	-2.0	-105.31	347.73	1.47	-103.84
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CN([O-])C(=O)NC1=O	REAL300029750620	0	39	-2.0	-86.16	340.91	-1.06	-87.22
O=C(NC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1F)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029750654	1	40	-2.0	-80.79	354.14	-0.31	-81.10
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C2CC2)[N-]C1=O	REAL300029751133	1	48	-2.0	-98.99	390.68	1.86	-97.13
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300029752100	0	41	-2.0	-95.25	345.97	-3.33	-98.58
O=C(CN1C(=O)[N-]NC1=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029752202	0	43	-2.0	-93.93	356.80	-1.21	-95.14
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300029752909	0	43	-2.0	-105.81	357.04	2.83	-102.98
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300029753040	0	43	-2.0	-84.55	353.83	-1.59	-86.14
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300029753051	1	39	-2.0	-96.77	329.58	-2.25	-99.02
O=C([N-]C1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300029753154	1	38	-2.0	-81.55	330.92	1.70	-79.85
CCN1[N-]C(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029753244	0	46	-2.0	-88.28	375.28	1.88	-86.40
O=C(CC1=CC(=O)N[N-]1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753252	1	43	-2.0	-97.41	351.79	-0.18	-97.59
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=S)N1[O-]	REAL300029753272	0	43	-2.0	-119.42	365.55	4.85	-114.57
O=C(CC1SC(=O)[N-]C1=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753283	0	43	-2.0	-88.83	368.16	-2.13	-90.96
CN1N=C(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029753300	0	42	-2.0	-91.42	348.02	-0.56	-91.98
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300029753397	0	41	-2.0	-77.08	335.05	1.38	-75.70
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=C2N=NN([O-])C2=C1	REAL300029753433	0	45	-2.0	-101.99	369.94	1.83	-100.16
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300029753518	0	40	-2.0	-93.09	334.40	-1.26	-94.35
C[PH](C)([O-])C(=O)C(=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753523	0	45	-2.0	-93.68	367.26	0.05	-93.63
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300029753560	0	43	-2.0	-113.51	354.72	2.97	-110.54
CC1SC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300029753595	0	42	-2.0	-90.10	357.47	-0.66	-90.76
CC1=C([O-])N=C(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)S1	REAL300029753595	1	42	-2.0	-90.10	357.47	-0.66	-90.76
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)N1	REAL300029753609	0	42	-2.0	-89.67	364.56	2.04	-87.63
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)[N-]1	REAL300029753609	1	42	-2.0	-89.67	364.56	2.04	-87.63
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300029753629	0	43	-2.0	-104.01	353.70	3.29	-100.72
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300029753672	0	43	-2.0	-117.46	354.44	3.81	-113.65
NC1=NC([O-])=C(CC(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)S1	REAL300029753811	0	44	-2.0	-105.40	375.73	-2.21	-107.61
O=C(CC1=NC([O-])=CS1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753863	0	42	-2.0	-105.25	360.90	-1.35	-106.60
CCC1=NC=C(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029753884	1	47	-2.0	-97.54	379.60	1.27	-96.27
O=C(CN1N=CC(=O)[N-]C1=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029753895	0	44	-2.0	-96.56	370.69	-2.80	-99.36
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=C(Cl)C(=O)[N-]S1	REAL300029753960	0	39	-2.0	-86.29	348.31	0.55	-85.74
CC1=CC(=O)C(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029754135	0	44	-2.0	-96.81	363.17	2.54	-94.27
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300029754151	0	39	-2.0	-95.82	328.95	-2.56	-98.38
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C=N[O-])S1	REAL300029754285	0	42	-2.0	-98.10	366.08	0.83	-97.27
COC1=NC(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300029754301	0	45	-2.0	-95.34	375.13	-3.24	-98.58
CN1[N-]C(C(=O)NC2CCC3CC2CN3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029754480	0	43	-2.0	-87.41	353.48	0.95	-86.46
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754488	0	43	-2.0	-94.99	371.66	-1.45	-96.44
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300029754663	0	41	-2.0	-99.10	347.50	-4.32	-103.42
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300029754663	1	41	-2.0	-91.51	348.45	-3.57	-95.08
O=C(CN1[N-]C(=O)C=CC1=O)NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1	REAL300029754832	0	45	-2.0	-94.87	372.90	-0.22	-95.09
O=C(NC1CCC2CC1CN2C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029755086	1	42	-2.0	-103.20	345.71	2.72	-100.48
O=C(NC1CCC2CC1CN2C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029755210	0	41	-2.0	-96.38	345.32	-3.03	-99.41
O=C(CN1C(=O)[N-]NC1=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029755375	0	43	-2.0	-96.44	363.08	-1.52	-97.96
O=C(NC1CCC2CC1CN2C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029756193	1	48	-2.0	-106.46	399.61	1.60	-104.86
O=C(NC1CCC2CC1CN2C(=O)C1=CC(Cl)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029756755	1	43	-2.0	-97.46	367.47	3.62	-93.84
N#CC1=CC([O-])=CC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029756780	1	44	-2.0	-83.94	369.54	2.90	-81.04
CCC1=NC=C(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029756859	1	47	-2.0	-104.96	388.52	1.01	-103.95
O=C(NC1CCC2CC1CN2C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029756876	1	39	-2.0	-94.89	329.22	-1.24	-96.13
O=C(C[N-]C(=O)C(F)(F)F)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029756950	0	42	-2.0	-91.71	367.53	-1.23	-92.94
NC1=NC([O-])=C(CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)S1	REAL300029756951	0	44	-2.0	-114.16	378.50	-2.06	-116.22
O=C(NC1CCC2CC1CN2C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300029756972	1	43	-2.0	-94.24	357.37	2.11	-92.13
O=C(NC1CCC2CC1CN2C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300029756978	0	42	-2.0	-94.26	354.08	1.48	-92.78
N#CC1=CC=C(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300029756986	1	44	-2.0	-99.64	368.25	2.34	-97.30
O=C(NC1CCC2CC1CN2C(=O)C1=CC(Cl)=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300029756990	0	42	-2.0	-93.91	362.82	1.63	-92.28
N#CC1=CC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)=C(N)[N-]C1=O	REAL300029756993	0	45	-2.0	-95.71	385.69	-0.67	-96.38
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757007	0	44	-2.0	-95.02	369.60	-2.15	-97.17
CC1=CC=C([O-])C(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029757071	1	45	-2.0	-98.89	363.73	3.81	-95.08
O=C(NC1CCC2CC1CN2C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300029757090	0	41	-2.0	-85.34	343.78	1.18	-84.16
O=C(NC1CCC2CC1CN2C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300029757098	0	43	-2.0	-102.79	356.98	3.14	-99.65
O=C(NC1CCC2CC1CN2C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029757191	1	43	-2.0	-100.45	357.24	2.09	-98.36
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300029757296	0	40	-2.0	-85.36	330.53	-0.49	-85.85
C[PH](C)([O-])C(=O)C(=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757301	0	45	-2.0	-84.94	363.40	0.64	-84.30
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300029757392	0	43	-2.0	-110.69	364.53	2.85	-107.84
O=C(NC1CCC2CC1CN2C(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300029757421	0	39	-2.0	-94.63	328.84	-1.81	-96.44
O=C(NC1CCC2CC1CN2C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300029757427	0	43	-2.0	-109.71	360.11	3.29	-106.42
O=C(NC1CCC2CC1CN2C(=O)C1=CC(F)=CC=C1O)C1=CC(=O)[N-]O1	REAL300029757584	0	43	-2.0	-97.49	357.15	3.16	-94.33
O=C(NC1CCC2CC1CN2C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029757584	1	43	-2.0	-97.49	357.15	3.16	-94.33
CC1=CC=NC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)=C1O	REAL300029757646	0	45	-2.0	-103.09	366.03	3.40	-99.69
CC1=CC=NC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300029757646	1	45	-2.0	-103.09	366.03	3.40	-99.69
O=C(NC1CCC2CC1CN2C(=O)C1=CN=CC(O)=C1)C1=CC(=O)[N-]O1	REAL300029757761	0	42	-2.0	-95.76	343.12	0.12	-95.64
O=C(NC1CCC2CC1CN2C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300029757761	1	42	-2.0	-95.76	343.12	0.12	-95.64
O=C(NC1CCC2CC1CN2C(=O)C1=CC=CC(=S)N1[O-])C1=CC(=O)[N-]O1	REAL300029757771	0	43	-2.0	-110.27	374.71	3.25	-107.02
O=C(NC1CCC2CC1CN2C(=O)C1=CC=C([O-])C(Cl)=N1)C1=CC(=O)[N-]O1	REAL300029757884	0	42	-2.0	-90.78	364.01	1.54	-89.24
O=C(NC1CCC2CC1CN2C(=O)C1=CC=C([O-])C=C1Cl)C1=CC(=O)[N-]O1	REAL300029757928	1	43	-2.0	-93.65	366.04	2.55	-91.10
N#CC1=CC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)=C([O-])C=C1N	REAL300029757929	0	46	-2.0	-97.25	385.20	1.29	-95.96
O=C(CC1=NC([O-])=CS1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757936	0	42	-2.0	-105.70	363.87	-1.19	-106.89
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029757950	0	45	-2.0	-91.75	375.36	-0.04	-91.79
O=C(NC1CCC2CC1CN2C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300029757952	0	43	-2.0	-97.72	357.14	3.17	-94.55
O=C(CC1SC(=O)[N-]C1=O)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758046	0	43	-2.0	-83.71	367.46	-1.47	-85.18
O=C(NC1CCC2CC1CN2C(=O)C1=CC=C([O-])C(F)=C1F)C1=CC(=O)[N-]O1	REAL300029758067	0	43	-2.0	-94.52	364.18	2.17	-92.35
O=C(NC1CCC2CC1CN2C(=O)C1=CC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029758074	0	43	-2.0	-98.24	366.75	3.64	-94.60
CC1=CC(=O)C(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029758100	0	44	-2.0	-89.77	358.94	3.33	-86.44
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758103	0	48	-2.0	-105.99	395.01	2.53	-103.46
O=C(NC1CCC2CC1CN2C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300029758122	0	43	-2.0	-108.77	363.60	2.61	-106.16
N#CC1=CC=C(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029758145	0	43	-2.0	-101.37	373.42	0.50	-100.87
CN1N=C(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029758195	0	42	-2.0	-91.39	347.92	-0.30	-91.69
[N-]=[N+]=NC1=CC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)=CC=C1[O-]	REAL300029758218	0	45	-2.0	-92.00	375.99	-0.25	-92.25
N#CC1=CC=C([O-])C(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029758254	0	44	-2.0	-95.66	372.28	3.38	-92.28
O=C(NC1CCC2CC1CN2C(=O)C1=CN([O-])C(=O)NC1=O)C1=CC(=O)[N-]O1	REAL300029758346	0	43	-2.0	-89.16	365.22	0.72	-88.44
O=C(NC1CCC2CC1CN2C(=O)C1=CC=C(F)C(O)=C1)C1=CC(=O)[N-]O1	REAL300029758396	0	43	-2.0	-100.48	354.32	1.97	-98.51
O=C(NC1CCC2CC1CN2C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300029758396	1	43	-2.0	-100.48	354.32	1.97	-98.51
O=C(NC1CCC2CC1CN2C(=O)C1=CC=C(Cl)C=C1O)C1=CC(=O)[N-]O1	REAL300029758413	0	43	-2.0	-97.74	367.46	3.62	-94.12
O=C(NC1CCC2CC1CN2C(=O)C1=CC=C(Cl)C=C1[O-])C1=CC(=O)[N-]O1	REAL300029758413	1	43	-2.0	-97.74	367.46	3.62	-94.12
O=C(NC1CCC2CC1CN2C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300029758478	0	41	-2.0	-88.29	343.28	-2.96	-91.25
O=C(NC1CCC2CC1CN2C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029758478	1	41	-2.0	-90.55	347.44	-2.72	-93.27
O=C(NC1CCC2CC1CN2C(=O)C1=CC=C2N=NN([O-])C2=C1)C1=CC(=O)[N-]O1	REAL300029758492	0	45	-2.0	-92.22	366.88	1.45	-90.77
O=C(NC1CCC2CC1CN2C(=O)C1=C(Cl)C(=O)[N-]S1)C1=CC(=O)[N-]O1	REAL300029758521	0	39	-2.0	-94.44	349.26	-0.11	-94.55
NC1=NC=C(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029758535	1	43	-2.0	-94.32	358.25	-0.14	-94.46
CC1=C(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300029758558	0	46	-2.0	-84.18	379.71	2.74	-81.44
O=C(NC1CCC2CC1CN2C(=O)C1=CC=C(F)C([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029758570	0	43	-2.0	-99.92	364.12	2.17	-97.75
COC1=NC(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300029758618	0	45	-2.0	-96.03	372.87	-2.47	-98.50
O=C(NC1CCC2CC1CN2C(=O)C1=CC=C2N[N-]N=C2C1=O)C1=CC(=O)[N-]O1	REAL300029758619	0	45	-2.0	-92.99	378.40	0.74	-92.25
O=C(NC1CCC2CC1CN2C(=O)C1=NC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029758625	0	42	-2.0	-99.14	361.90	3.23	-95.91
O=C(NC1CCC2CC1CN2C(=O)C1=CC=C(Cl)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300029758658	0	43	-2.0	-96.46	364.12	2.46	-94.00
O=C(NC1CCC2CC1CN2C(=O)C1=CC=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300029758667	0	42	-2.0	-96.39	342.80	1.63	-94.76
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300029758672	0	39	-2.0	-97.43	329.14	-0.76	-98.19
CC1=C([O-])N=C(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)S1	REAL300029758693	1	42	-2.0	-93.34	357.45	0.08	-93.26
O=C(NC1CCC2CC1CN2C(=O)C(=O)C1=CC=C([O-])C=C1)C1=CC(=O)[N-]O1	REAL300029758783	1	45	-2.0	-92.91	371.73	2.23	-90.68
O=C(NC1CCC2CC1CN2C(=O)C1=CN=C(C=N[O-])S1)C1=CC(=O)[N-]O1	REAL300029758806	0	42	-2.0	-105.23	366.90	0.16	-105.07
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=CC(=O)[N-]O1	REAL300029758827	1	42	-2.0	-82.14	360.15	3.05	-79.09
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300029758850	0	43	-2.0	-92.29	364.90	-2.13	-94.42
CCN1[N-]C(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029758910	0	46	-2.0	-95.39	378.60	1.68	-93.71
CN1[N-]C(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029758927	0	43	-2.0	-94.94	356.79	0.73	-94.21
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029758937	0	43	-2.0	-94.64	374.39	-1.24	-95.88
O=C(CC1=CC(=O)N[N-]1)N1CC2CC1CCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029759057	1	43	-2.0	-97.89	358.02	-0.47	-98.36
O=C(NC1CCC2CC1CN2C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300029759062	1	43	-2.0	-98.11	357.98	2.12	-95.99
O=C(NC1CCC2CC1CN2C(=O)C1=CC(F)=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300029759105	0	43	-2.0	-96.75	364.63	2.15	-94.60
O=C(NC1CCC2CC1CN2C(=O)C1=CC=NC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029759110	0	42	-2.0	-95.84	362.13	1.65	-94.19
CC1=C(CC(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300029759124	0	49	-2.0	-94.99	397.21	2.40	-92.59
CC1=CN=C(C(=O)N2CC3CC2CCC3NC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300029759160	1	45	-2.0	-104.66	367.15	3.35	-101.31
O=C(NC1CCC2CC1CN2C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300029759181	0	40	-2.0	-102.40	340.66	1.02	-101.38
O=C(NC1CCC2CC1CN2C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300029759194	0	43	-2.0	-103.51	364.24	2.81	-100.70
O=C(NC1CCC2CC1CN2C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)NC1=O	REAL300029759226	0	43	-2.0	-85.67	356.02	0.91	-84.76
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]C1=O	REAL300029760562	0	43	-2.0	-93.16	359.20	-3.10	-96.26
O=C(CN1C(=O)[N-]NC1=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029760658	0	45	-2.0	-93.17	373.31	-1.45	-94.62
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)C=C1	REAL300029761311	0	45	-2.0	-101.86	370.21	3.03	-98.83
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)NC([O-])=C1	REAL300029761433	0	45	-2.0	-92.65	370.67	-1.88	-94.53
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300029761444	1	41	-2.0	-98.45	342.75	-2.04	-100.49
CCN1[N-]C(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029761622	0	48	-2.0	-95.36	392.12	1.60	-93.76
O=C(CC1=CC(=O)N[N-]1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761630	1	45	-2.0	-94.65	368.31	-0.42	-95.07
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=S)N1[O-]	REAL300029761649	0	45	-2.0	-113.10	379.36	5.22	-107.88
O=C(CC1SC(=O)[N-]C1=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761659	0	45	-2.0	-87.32	381.82	-1.90	-89.22
CN1N=C(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029761675	0	44	-2.0	-97.40	364.89	-0.83	-98.23
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300029761767	0	43	-2.0	-90.94	351.79	1.11	-89.83
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300029761877	0	42	-2.0	-92.59	347.58	-1.05	-93.64
C[PH](C)([O-])C(=O)C(=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029761882	0	47	-2.0	-91.88	380.58	0.26	-91.62
CN1[N-]C(CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029761885	0	48	-2.0	-97.16	391.14	1.30	-95.86
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300029761916	0	45	-2.0	-117.52	368.39	3.33	-114.19
CC1=C([O-])N=C(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029761947	1	44	-2.0	-107.19	374.18	-0.92	-108.11
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300029761961	1	44	-2.0	-89.16	377.73	2.23	-86.93
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300029761980	0	45	-2.0	-103.36	371.02	3.17	-100.19
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300029762019	0	45	-2.0	-112.17	368.24	4.19	-107.98
O=C(C[N-]C(=O)C(F)(F)F)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762149	0	44	-2.0	-90.10	377.76	-1.16	-91.26
NC1=NC([O-])=C(CC(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029762150	0	46	-2.0	-108.23	388.97	-2.00	-110.23
O=C(CC1=NC([O-])=CS1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762198	0	44	-2.0	-104.69	374.14	-1.13	-105.82
CCC1=NC=C(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029762216	1	49	-2.0	-100.24	393.30	1.61	-98.63
O=C(CN1N=CC(=O)[N-]C1=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762225	0	46	-2.0	-96.86	383.64	-2.57	-99.43
CC1=CC(=O)C(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029762446	0	46	-2.0	-96.72	376.36	2.76	-93.96
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]1	REAL300029762462	0	41	-2.0	-94.95	342.06	-2.50	-97.45
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C=N[O-])S1	REAL300029762584	0	44	-2.0	-101.18	382.94	0.54	-100.64
COC1=NC(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029762599	0	47	-2.0	-93.02	388.30	-3.05	-96.07
CN1[N-]C(C(=O)NCC2CCCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029762763	0	45	-2.0	-94.79	370.46	0.67	-94.12
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029762770	0	45	-2.0	-92.94	384.61	-1.22	-94.16
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300029762937	0	43	-2.0	-100.16	360.70	-4.10	-104.26
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300029762937	1	43	-2.0	-92.29	361.41	-3.34	-95.63
O=C(CN1[N-]C(=O)C=CC1=O)NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029763096	0	47	-2.0	-94.09	389.42	-0.47	-94.56
O=C(NCC1CCCCN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029763349	1	44	-2.0	-111.43	360.16	3.16	-108.27
O=C(NCC1CCCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029763480	0	43	-2.0	-101.62	359.56	-2.66	-104.28
O=C(CN1C(=O)[N-]NC1=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029763660	0	45	-2.0	-104.17	376.34	-1.21	-105.38
O=C(NCC1CCCCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029765149	1	45	-2.0	-105.42	385.65	3.30	-102.12
N#CC1=CC([O-])=CC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029765175	1	46	-2.0	-88.56	387.68	2.76	-85.80
CCC1=NC=C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029765267	1	49	-2.0	-104.35	381.45	2.04	-102.31
O=C(NCC1CCCCN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029765286	1	41	-2.0	-88.66	342.52	-0.38	-89.04
O=C(C[N-]C(=O)C(F)(F)F)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765357	0	44	-2.0	-94.64	380.81	-0.93	-95.57
NC1=NC([O-])=C(CC(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029765358	0	46	-2.0	-115.86	391.98	-1.71	-117.57
O=C(NCC1CCCCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300029765368	0	45	-2.0	-91.26	384.15	2.70	-88.56
O=C(NCC1CCCCN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300029765384	1	45	-2.0	-96.23	375.54	2.55	-93.68
O=C(NCC1CCCCN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300029765390	0	44	-2.0	-92.71	368.64	1.69	-91.02
N#CC1=CC=C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300029765398	1	46	-2.0	-90.41	387.26	2.84	-87.57
O=C(NCC1CCCCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029765401	0	44	-2.0	-102.24	378.97	1.39	-100.85
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765419	0	46	-2.0	-108.68	386.70	-2.33	-111.01
CC1=CC=C([O-])C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029765484	1	47	-2.0	-112.47	381.46	3.74	-108.73
O=C(NCC1CCCCN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300029765505	0	43	-2.0	-94.13	361.38	0.98	-93.15
O=C(NCC1CCCCN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029765516	0	45	-2.0	-109.13	356.48	4.10	-105.03
O=C(NCC1CCCCN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029765615	1	45	-2.0	-112.68	356.77	2.89	-109.79
O=C(NCC1CCCCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029765726	0	42	-2.0	-93.87	347.79	-0.49	-94.36
C[PH](C)([O-])C(=O)C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029765732	0	47	-2.0	-96.81	379.90	0.77	-96.04
O=C(NCC1CCCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300029765830	0	45	-2.0	-125.18	360.30	3.21	-121.97
O=C(NCC1CCCCN(C(=O)C2=NC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029765856	0	41	-2.0	-91.08	342.57	-1.13	-92.21
O=C(NCC1CCCCN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300029765859	1	45	-2.0	-103.67	383.68	2.98	-100.69
O=C(NCC1CCCCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300029765864	0	45	-2.0	-112.37	360.02	3.37	-109.00
O=C(NCC1CCCCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029765893	1	45	-2.0	-99.32	384.16	2.68	-96.64
NC1=CC(=O)[N-]C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029765983	0	45	-2.0	-104.94	372.33	-0.88	-105.82
O=C(NCC1CCCCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1)C1=CC(=O)[N-]O1	REAL300029766037	0	45	-2.0	-92.16	383.73	2.99	-89.17
O=C(NCC1CCCCN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029766042	1	45	-2.0	-104.68	375.33	2.86	-101.82
CC1=CC=NC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029766107	1	47	-2.0	-111.17	380.19	3.84	-107.33
O=C(NCC1CCCCN(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029766228	1	44	-2.0	-91.81	362.49	0.65	-91.16
O=C(NCC1CCCCN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300029766238	0	45	-2.0	-106.77	359.59	4.55	-102.22
O=C(NCC1CCCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=CC(=O)[N-]O1	REAL300029766355	0	44	-2.0	-87.04	378.32	2.00	-85.04
O=C(NCC1CCCCN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300029766399	1	45	-2.0	-94.50	384.18	2.97	-91.53
N#CC1=CC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=C([O-])C=C1N	REAL300029766401	0	48	-2.0	-103.79	401.17	1.11	-102.68
O=C(CC1=NC([O-])=CS1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766411	0	44	-2.0	-118.42	377.20	-0.82	-119.24
O=C(NCC1CCCCN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=CC(=O)[N-]O1	REAL300029766426	0	45	-2.0	-102.98	377.25	2.72	-100.26
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766428	0	47	-2.0	-104.16	392.48	-0.21	-104.37
O=C(NCC1CCCCN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029766429	0	45	-2.0	-107.84	375.29	2.93	-104.91
CC1=CC=C(F)C([O-])=C1C(=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766466	0	48	-2.0	-106.78	396.83	3.27	-103.51
O=C(CC1SC(=O)[N-]C1=O)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029766537	0	45	-2.0	-93.37	384.78	-1.59	-94.96
O=C(NCC1CCCCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=CC(=O)[N-]O1	REAL300029766562	0	45	-2.0	-111.95	363.33	2.95	-109.00
O=C(NCC1CCCCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029766569	0	45	-2.0	-104.68	366.30	4.57	-100.11
CC1=CC(=O)C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029766598	0	46	-2.0	-100.20	376.71	3.15	-97.05
O=C(NCC1CCCCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300029766624	0	45	-2.0	-102.74	359.43	2.82	-99.92
N#CC1=CC=C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029766654	0	45	-2.0	-79.48	368.36	0.99	-78.49
CN1N=C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029766706	0	44	-2.0	-101.82	364.92	-0.36	-102.18
O=C(NCC1CCCCN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C1=CC(=O)[N-]O1	REAL300029766760	0	46	-2.0	-105.17	388.52	0.77	-104.40
O=C(NCC1CCCCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029766760	1	46	-2.0	-105.17	388.52	0.77	-104.40
N#CC1=CC=C([O-])C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029766769	0	46	-2.0	-102.16	387.20	3.83	-98.33
O=C(NCC1CCCCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=CC(=O)[N-]O1	REAL300029766864	0	45	-2.0	-96.26	382.80	0.51	-95.75
O=C(NCC1CCCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029766920	1	45	-2.0	-109.62	346.20	4.25	-105.37
O=C(NCC1CCCCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029766939	1	45	-2.0	-107.65	385.62	3.37	-104.28
O=C(NCC1CCCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300029767011	0	43	-2.0	-89.01	361.85	-2.15	-91.16
O=C(NCC1CCCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029767011	1	43	-2.0	-89.01	361.85	-2.15	-91.16
NC1=NC=C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029767071	0	45	-2.0	-92.73	362.32	-0.70	-93.43
NC1=NC=C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029767071	1	45	-2.0	-92.73	362.32	-0.70	-93.43
CC1=C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029767093	0	48	-2.0	-94.93	406.53	1.44	-93.49
O=C(NCC1CCCCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029767164	0	44	-2.0	-107.30	376.38	3.66	-103.64
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300029767217	0	41	-2.0	-96.88	342.32	-0.56	-97.44
CC1SC(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029767242	0	44	-2.0	-93.88	374.41	0.31	-93.57
CC1=C([O-])N=C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029767242	1	44	-2.0	-93.88	374.41	0.31	-93.57
O=C(NCC1CCCCN(C(=O)C(=O)C2=CC=C(O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300029767338	0	47	-2.0	-100.66	379.48	2.81	-97.85
O=C(NCC1CCCCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300029767338	1	47	-2.0	-100.66	379.48	2.81	-97.85
O=C(NCC1CCCCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=CC(=O)[N-]O1	REAL300029767361	0	44	-2.0	-103.48	383.71	0.50	-102.98
O=C(NCC1CCCCN(C(=O)C2=CC(=O)C=C(Cl)N2)C1)C1=CC(=O)[N-]O1	REAL300029767385	0	44	-2.0	-90.31	378.00	3.00	-87.31
O=C(NCC1CCCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029767385	1	44	-2.0	-90.31	378.00	3.00	-87.31
CCN1[N-]C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029767470	0	48	-2.0	-97.70	391.92	2.11	-95.59
CN1[N-]C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029767491	0	45	-2.0	-96.63	370.12	1.19	-95.44
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767501	0	45	-2.0	-96.89	387.64	-0.88	-97.77
O=C(CC1=CC(=O)NN1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767638	0	45	-2.0	-107.18	371.36	-0.12	-107.30
O=C(CC1=CC(=O)N[N-]1)N1CCCCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029767638	1	45	-2.0	-107.18	371.36	-0.12	-107.30
O=C(NCC1CCCCN(C(=O)C2=CC=C(O)C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029767643	0	45	-2.0	-115.51	347.91	2.47	-113.04
O=C(NCC1CCCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029767643	1	45	-2.0	-115.51	347.91	2.47	-113.04
O=C(NCC1CCCCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029767691	0	45	-2.0	-95.84	380.11	2.58	-93.26
O=C(NCC1CCCCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029767696	0	44	-2.0	-105.23	363.10	2.35	-102.88
CC1=CN=C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C(O)=C1	REAL300029767748	0	47	-2.0	-113.24	381.61	3.78	-109.46
CC1=CN=C(C(=O)N2CCCCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029767748	1	47	-2.0	-113.24	381.61	3.78	-109.46
O=C(NCC1CCCCN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300029767771	0	42	-2.0	-104.13	357.71	1.35	-102.78
O=C(NCC1CCCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300029767787	0	45	-2.0	-119.57	357.91	3.32	-116.25
O=C(NCC1CCCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)NC1=O	REAL300029767817	0	45	-2.0	-94.02	373.62	0.82	-93.20
C[C@H](NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768375	1	44	-2.0	-87.11	381.82	0.46	-86.65
C[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029768682	0	44	-2.0	-80.47	388.40	-1.32	-81.79
C[C@H](NC(=O)CCCN1C(=O)[N-]NC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769232	0	45	-2.0	-94.11	394.05	-1.89	-96.00
CC(C)CN1[N-]C(CC(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029769429	0	51	-2.0	-100.56	428.51	1.88	-98.68
C[C@H](NC(=O)CCC1=NNC(=O)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769523	0	43	-2.0	-92.55	381.75	-4.61	-97.16
CC(=O)[N-]C1=NC(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029769524	1	41	-2.0	-84.35	375.83	-1.12	-85.47
C[C@H](NC(=O)CCN1C=C[N-]C(=O)C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029769738	1	44	-2.0	-96.64	387.80	-0.53	-97.17
COC1=C(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029769883	1	42	-2.0	-92.50	370.82	-3.46	-95.96
C[C@H](NC(=O)C1=NNC(=O)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770034	0	37	-2.0	-91.88	337.69	-4.82	-96.70
C[C@H](NC(=O)CN1C(=O)[N-]NC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770176	0	39	-2.0	-94.21	351.54	-3.07	-97.28
CC1=C(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C(C)C)=N1	REAL300029770219	1	49	-2.0	-87.65	407.80	0.98	-86.67
C[C@H](NC(=O)CN1[N-]C=C2C1=NC=NC2=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029770357	0	43	-2.0	-97.17	385.07	-0.18	-97.35
C[C@H]([N-]C(=O)C(F)(F)C(F)(F)C(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771254	1	37	-2.0	-83.57	347.84	0.38	-83.19
C[C@H](NC(=O)C1=CN([O-])C(=O)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771271	0	39	-2.0	-105.08	348.47	1.44	-103.64
C[C@H](NC(=O)C1=CC(=O)NC([O-])=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771478	0	39	-2.0	-87.13	348.79	-3.49	-90.62
C[C@H](NC(=O)C1=COC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771494	1	35	-2.0	-87.55	321.01	-3.64	-91.19
C[C@H](NC(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771557	1	47	-2.0	-87.07	397.57	1.01	-86.06
C[C@H]([N-]C(=O)C(F)(F)C(F)(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771645	1	34	-2.0	-79.11	323.73	-0.32	-79.43
CCN1[N-]C(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029771778	0	42	-2.0	-90.61	370.39	-0.01	-90.62
C[C@H](NC(=O)CC1=CC(=O)N[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771789	1	39	-2.0	-97.41	346.53	-2.03	-99.44
C[C@H](NC(=O)C1=CC=CC(=S)N1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771816	0	39	-2.0	-122.84	356.86	3.43	-119.41
C[C@H](NC(=O)CC1SC(=O)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771835	0	39	-2.0	-87.47	359.63	-3.53	-91.00
C[C@H](NC(=O)C1=NN(C)C(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029771855	0	38	-2.0	-93.77	343.17	-2.47	-96.24
CC1=C(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)NC(C2CC2)=N1	REAL300029771987	0	47	-2.0	-88.28	397.99	1.19	-87.09
CC1=C(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300029771987	1	47	-2.0	-88.28	397.99	1.19	-87.09
C[C@H](NC(=O)C1=C[N-]N=CC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772003	0	37	-2.0	-79.73	330.06	-0.51	-80.24
C[C@H](NC(=O)C1=CC=C2N=NN([O-])C2=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772047	0	41	-2.0	-102.41	364.88	-0.08	-102.49
C[C@H](NC(=O)C1=CC(=O)N[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772174	0	36	-2.0	-87.28	325.84	-2.66	-89.94
C[C@H](NC(=O)C(=O)[PH](C)(C)[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772179	0	41	-2.0	-85.90	358.65	-1.28	-87.18
C[C@H](NC(=O)C1=CC=CN([O-])C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772233	0	39	-2.0	-98.62	345.84	1.56	-97.06
CSC1=NC=C(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029772259	0	41	-2.0	-86.63	371.97	-0.62	-87.25
CSC1=NC=C(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029772259	1	41	-2.0	-86.63	371.97	-0.62	-87.25
C[C@H](NC(=O)C1=NC(=O)C(C)S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772287	0	38	-2.0	-94.09	352.38	-2.55	-96.64
CC1=C([O-])N=C(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029772287	1	38	-2.0	-94.09	352.38	-2.55	-96.64
C[C@H](NC(=O)C1=CC(=O)C=C(Cl)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772311	0	38	-2.0	-84.18	356.00	0.63	-83.55
C[C@H](NC(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772311	1	38	-2.0	-84.18	356.00	0.63	-83.55
C[C@H](NC(=O)C1=CC(=O)N([O-])C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772339	0	39	-2.0	-105.09	349.14	1.33	-103.76
C[C@H](NC(=O)C1=CC=CC(=O)N1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772414	0	39	-2.0	-119.23	345.75	2.40	-116.83
C[C@H](NC(=O)CC1=C([O-])N=C(N)S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772633	0	40	-2.0	-107.48	367.18	-3.63	-111.11
C[C@H](NC(=O)CC1=NC([O-])=CS1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772712	0	38	-2.0	-108.96	352.37	-2.76	-111.72
CCC1=NC=C(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029772744	0	43	-2.0	-85.79	370.73	-0.14	-85.93
CCC1=NC=C(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029772744	1	43	-2.0	-85.79	370.73	-0.14	-85.93
C[C@H](NC(=O)C1=C(Cl)C(=O)[N-]S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029772858	0	35	-2.0	-91.27	342.26	-1.57	-92.84
COCC1=NC=C(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029772998	1	44	-2.0	-86.74	383.66	-1.89	-88.63
C[C@H](NC(=O)C1=CN=C(CC2CC2)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773013	1	47	-2.0	-85.86	401.66	1.47	-84.39
CC1=CC(=O)C(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029773121	0	40	-2.0	-90.83	354.56	1.12	-89.71
C[C@H](NC(=O)C1=NC(=O)N[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773144	0	35	-2.0	-87.45	320.44	-3.96	-91.41
C[C@H](NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773174	1	40	-2.0	-87.62	363.32	0.30	-87.32
CC1=NC2=NC=C(C(=O)N[C@@H](C)C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C(=O)N2[N-]1	REAL300029773210	0	43	-2.0	-85.35	377.89	2.60	-82.75
C[C@H](NC(=O)C1=CN=C(C=N[O-])S1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773337	0	38	-2.0	-102.38	360.08	-1.28	-103.66
COC1=NC(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029773358	0	41	-2.0	-94.35	365.42	-4.85	-99.20
C[C@H](NC(=O)C1=CC(=O)N(C)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773623	0	39	-2.0	-93.14	347.29	-1.08	-94.22
C[C@H](NC(=O)C1=CC=CC2=C1C(=O)[N-]C2=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773633	1	42	-2.0	-106.40	371.36	-0.54	-106.94
C[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773637	0	39	-2.0	-92.36	363.12	-2.91	-95.27
CC1=C(C(=O)N[C@@H](C)C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029773638	1	41	-2.0	-104.78	376.93	-1.47	-106.25
C[C@H](NC(=O)C1=NC(=O)[N-]C(=O)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773903	0	37	-2.0	-90.65	338.96	-5.70	-96.35
C[C@H](NC(=O)C1=NC(=O)NC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029773903	1	37	-2.0	-84.53	339.63	-4.96	-89.49
C[C@H](NC(=O)COC1=NC(=O)[N-]C(=O)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029774003	0	41	-2.0	-94.20	372.76	-6.53	-100.73
C[C@H](NC(=O)COC1=NC(=O)NC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029774003	1	41	-2.0	-88.40	372.70	-6.47	-94.87
C[C@H](NC(=O)CN1[N-]C(=O)C=CC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029774182	0	41	-2.0	-96.78	366.53	-2.19	-98.97
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300029774427	1	38	-2.0	-100.53	336.07	0.87	-99.66
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1	REAL300029774557	1	44	-2.0	-98.61	389.66	-0.43	-99.04
CC(=O)[N-]C1=NC(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029774575	1	41	-2.0	-84.40	375.50	-0.81	-85.21
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300029774616	0	37	-2.0	-93.30	335.68	-4.78	-98.08
COC1=C(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029774686	1	42	-2.0	-92.22	368.33	-3.28	-95.50
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300029774899	0	39	-2.0	-93.81	352.33	-3.15	-96.96
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2[N-]C=C3C2=NC=NC3=O)C1	REAL300029774969	0	43	-2.0	-94.91	385.84	-0.26	-95.17
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCCN2C(=O)[N-]NC2=O)C1	REAL300029776167	0	45	-2.0	-95.73	396.22	-1.85	-97.58
CC(C)CN1[N-]C(CC(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029776378	0	51	-2.0	-99.50	431.83	2.22	-97.28
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300029776438	1	44	-2.0	-99.45	388.85	0.04	-99.41
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1	REAL300029776692	0	44	-2.0	-81.15	388.16	-0.85	-82.00
CC1=C(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C(C)C)=N1	REAL300029777247	1	49	-2.0	-99.25	419.34	0.44	-98.81
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)C1	REAL300029777593	0	43	-2.0	-93.03	383.91	-4.57	-97.60
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1	REAL300029777603	0	41	-2.0	-94.00	365.97	2.33	-91.67
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300029777622	1	39	-2.0	-97.26	356.38	2.43	-94.83
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300029777663	1	40	-2.0	-85.06	361.28	0.81	-84.25
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C1	REAL300029777700	0	41	-2.0	-101.58	368.16	0.42	-101.16
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1	REAL300029777772	0	41	-2.0	-109.56	367.28	3.42	-106.14
CCC1=NC=C(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029777811	1	43	-2.0	-98.62	379.28	-0.39	-99.01
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300029777841	1	35	-2.0	-87.21	320.72	-3.04	-90.25
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1	REAL300029777938	0	41	-2.0	-107.25	370.48	2.11	-105.14
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300029777958	0	38	-2.0	-88.72	358.14	-2.76	-91.48
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300029777959	0	40	-2.0	-106.61	367.95	-3.69	-110.30
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300029777972	0	39	-2.0	-86.90	361.14	0.94	-85.96
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300029778005	1	39	-2.0	-92.14	348.16	0.64	-91.50
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([O-])=C3SC=CC3=C2)C1	REAL300029778016	1	42	-2.0	-101.02	376.37	1.66	-99.36
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300029778019	0	38	-2.0	-87.86	345.45	0.04	-87.82
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300029778034	1	40	-2.0	-95.06	359.63	0.75	-94.31
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300029778040	0	38	-2.0	-94.14	348.83	0.66	-93.48
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(N)[N-]C(=O)C(C#N)=C2)C1	REAL300029778049	0	41	-2.0	-88.76	376.32	-2.15	-90.91
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300029778070	0	40	-2.0	-97.10	362.63	-4.27	-101.37
CC1=CC=C([O-])C(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029778183	1	41	-2.0	-105.10	358.85	1.70	-103.40
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2=NNC(=O)[N-]2)C1	REAL300029778187	0	41	-2.0	-92.39	364.03	-2.43	-94.82
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300029778216	0	37	-2.0	-90.95	327.71	0.04	-90.91
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300029778231	0	39	-2.0	-109.12	347.50	2.14	-106.98
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300029778389	1	39	-2.0	-104.60	347.75	0.73	-103.87
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1	REAL300029778487	0	41	-2.0	-98.97	366.01	2.31	-96.66
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300029778566	0	36	-2.0	-88.61	325.57	-2.50	-91.11
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300029778574	0	41	-2.0	-87.84	358.48	-1.25	-89.09
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(=O)C=C([O-])C2=CC=CC=N2)C1	REAL300029778609	0	44	-2.0	-102.33	393.66	2.18	-100.15
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(CC3CC3)NC2=O)C1	REAL300029778633	0	47	-2.0	-98.50	410.20	1.21	-97.29
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)C1	REAL300029778633	1	47	-2.0	-98.50	410.20	1.21	-97.29
COCC1=NC=C(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029778659	0	44	-2.0	-98.69	392.21	-2.15	-100.84
COCC1=NC=C(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029778659	1	44	-2.0	-98.69	392.21	-2.15	-100.84
CC1=CC(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300029778669	0	44	-2.0	-94.44	386.44	2.96	-91.48
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300029778735	0	39	-2.0	-104.71	345.47	0.88	-103.83
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C1	REAL300029778776	0	39	-2.0	-95.42	358.63	0.57	-94.85
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NNC(=O)[N-]2)C1	REAL300029778778	0	35	-2.0	-93.53	319.04	-4.18	-97.71
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(O)C=CC=C2Cl)C1	REAL300029778783	0	39	-2.0	-97.37	362.83	1.10	-96.27
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300029778783	1	39	-2.0	-97.37	362.83	1.10	-96.27
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300029778793	0	39	-2.0	-115.45	354.34	1.37	-114.08
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300029778842	0	39	-2.0	-93.14	361.10	0.82	-92.32
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300029778842	1	39	-2.0	-93.14	361.10	0.82	-92.32
CC1=NC2=NC=C(C(=O)N3CC([C@H](C)NC(=O)C4=CC(=O)[N-]O4)C3)C(=O)N2[N-]1	REAL300029778937	0	43	-2.0	-97.11	386.49	2.34	-94.77
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1	REAL300029778987	0	39	-2.0	-98.63	349.22	-2.95	-101.58
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2C=C(C#N)C(=O)[N-]C2=O)C1	REAL300029779003	0	42	-2.0	-100.09	387.09	-1.98	-102.07
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300029779080	0	39	-2.0	-91.18	355.47	0.90	-90.28
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300029779089	1	39	-2.0	-96.91	346.07	1.98	-94.93
CC1=CC=NC(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029779205	1	41	-2.0	-104.19	357.57	1.80	-102.39
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1	REAL300029779274	0	39	-2.0	-99.94	362.02	2.49	-97.45
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300029779415	1	38	-2.0	-93.47	334.49	-1.47	-94.94
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300029779431	0	39	-2.0	-127.82	354.18	3.22	-124.60
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300029779606	1	47	-2.0	-99.00	404.71	0.59	-98.41
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C1	REAL300029779625	1	41	-2.0	-89.57	368.72	-1.00	-90.57
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300029779630	0	38	-2.0	-88.78	354.38	-0.33	-89.11
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2N)C1	REAL300029779708	0	43	-2.0	-96.30	378.04	0.41	-95.89
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300029779715	1	39	-2.0	-90.51	356.72	1.10	-89.41
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1	REAL300029779718	0	42	-2.0	-96.44	373.36	0.20	-96.24
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300029779733	0	38	-2.0	-105.39	353.30	-2.74	-108.13
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300029779761	0	39	-2.0	-98.55	353.34	0.73	-97.82
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300029779765	0	41	-2.0	-97.93	369.49	-1.97	-99.90
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300029779770	0	39	-2.0	-102.72	347.94	2.02	-100.70
CC1=CC=C(F)C([O-])=C1C(=O)N1CC([C@H](C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029779830	0	42	-2.0	-101.87	374.17	1.41	-100.46
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300029779943	0	39	-2.0	-87.15	360.88	-3.59	-90.74
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300029779977	0	39	-2.0	-94.05	352.40	0.54	-93.51
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1	REAL300029779981	1	40	-2.0	-87.71	369.54	-0.86	-88.57
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300029779988	0	39	-2.0	-103.68	357.30	2.62	-101.06
CC1=CC(=O)C(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029780032	0	40	-2.0	-93.94	354.03	1.32	-92.62
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C1	REAL300029780037	0	44	-2.0	-107.91	386.22	1.03	-106.88
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300029780076	0	39	-2.0	-124.91	343.06	2.17	-122.74
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300029780126	0	39	-2.0	-93.31	362.95	-1.11	-94.42
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C1	REAL300029780127	0	41	-2.0	-93.75	374.61	-6.37	-100.12
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C1	REAL300029780127	1	41	-2.0	-88.71	374.85	-6.38	-95.09
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1	REAL300029780159	0	41	-2.0	-86.94	370.03	2.25	-84.69
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300029780209	0	38	-2.0	-95.54	342.95	-2.29	-97.83
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C1	REAL300029780256	0	41	-2.0	-86.31	367.78	-1.63	-87.94
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300029780303	0	40	-2.0	-99.20	365.47	-1.09	-100.29
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300029780303	1	40	-2.0	-99.20	365.47	-1.09	-100.29
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300029780318	0	40	-2.0	-94.63	360.49	2.33	-92.30
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300029780481	0	39	-2.0	-92.63	349.85	-0.27	-92.90
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C1	REAL300029780525	0	39	-2.0	-93.57	362.21	2.47	-91.10
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300029780565	1	39	-2.0	-99.26	345.72	0.37	-98.89
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1	REAL300029780575	1	44	-2.0	-115.18	382.10	2.57	-112.61
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1	REAL300029780579	0	41	-2.0	-99.42	369.69	2.64	-96.78
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1	REAL300029780583	0	41	-2.0	-91.36	367.83	2.59	-88.77
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300029780597	1	39	-2.0	-102.67	358.26	2.48	-100.19
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1	REAL300029780629	0	41	-2.0	-84.52	368.63	1.09	-83.43
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300029780738	0	37	-2.0	-88.74	338.38	-5.23	-93.97
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300029780738	1	37	-2.0	-84.70	338.97	-4.45	-89.15
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1	REAL300029780788	0	41	-2.0	-91.20	362.24	-0.43	-91.63
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300029780837	1	44	-2.0	-109.64	382.44	3.44	-106.20
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1	REAL300029780838	0	35	-2.0	-89.80	341.20	-1.50	-91.30
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300029780867	1	39	-2.0	-98.09	351.39	-2.29	-100.38
CC1=C(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029780910	0	42	-2.0	-83.86	374.55	0.61	-83.25
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300029780939	0	39	-2.0	-101.31	352.36	0.53	-100.78
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300029781012	0	39	-2.0	-89.92	362.21	1.16	-88.76
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1	REAL300029781021	1	40	-2.0	-90.90	359.12	-0.17	-91.07
COC1=NC(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029781028	0	41	-2.0	-92.78	363.47	-4.46	-97.24
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1	REAL300029781031	0	41	-2.0	-97.58	369.30	-0.76	-98.34
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300029781044	0	38	-2.0	-100.27	353.44	1.62	-98.65
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C1	REAL300029781051	1	42	-2.0	-101.35	385.68	2.11	-99.24
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300029781103	0	39	-2.0	-95.40	355.52	0.86	-94.54
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300029781115	0	38	-2.0	-103.64	333.52	0.29	-103.35
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029781125	0	35	-2.0	-91.78	320.59	-2.18	-93.96
CC1=C([O-])N=C(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029781176	1	38	-2.0	-100.80	351.06	-2.35	-103.15
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1	REAL300029781238	1	45	-2.0	-104.87	392.28	2.87	-102.00
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1	REAL300029781257	1	45	-2.0	-108.93	386.50	4.32	-104.61
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1	REAL300029781266	1	45	-2.0	-106.33	386.53	4.08	-102.25
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300029781325	1	41	-2.0	-90.33	363.03	0.70	-89.63
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300029781365	0	38	-2.0	-101.90	357.91	-1.43	-103.33
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300029781403	1	38	-2.0	-86.67	354.08	0.70	-85.97
CSC1=NC=C(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029781434	1	41	-2.0	-99.61	380.59	-0.89	-100.50
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300029781444	0	39	-2.0	-86.86	345.10	-4.03	-90.89
CCN1[N-]C(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029781542	0	42	-2.0	-92.93	368.94	-0.07	-93.00
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CNC(=O)C2=NC=CC=C2[O-])C1	REAL300029781554	1	45	-2.0	-101.46	399.04	-0.70	-102.16
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300029781568	0	39	-2.0	-91.41	348.30	-0.79	-92.20
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1	REAL300029781582	1	42	-2.0	-108.80	373.61	-1.00	-109.80
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300029781587	0	39	-2.0	-92.63	364.69	-2.70	-95.33
CC1=C(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029781589	1	41	-2.0	-104.18	376.76	-1.36	-105.54
CC1=C(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300029781600	1	47	-2.0	-99.86	409.53	0.66	-99.20
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1	REAL300029781667	1	44	-2.0	-100.25	386.91	0.98	-99.27
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300029781795	1	39	-2.0	-95.42	347.32	-2.10	-97.52
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300029781802	1	39	-2.0	-94.83	345.68	0.41	-94.42
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300029781876	0	39	-2.0	-92.55	352.41	0.67	-91.88
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300029781882	0	38	-2.0	-97.13	348.14	0.68	-96.45
CC1=C(CC(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029781907	0	45	-2.0	-100.53	391.27	0.49	-100.04
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC(=O)C2=CC=C([O-])C=C2)C1	REAL300029781919	1	47	-2.0	-93.55	411.12	2.21	-91.34
CC1=CN=C(C(=O)N2CC([C@H](C)NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029781963	1	41	-2.0	-101.96	357.52	1.50	-100.46
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1	REAL300029781982	0	40	-2.0	-97.89	375.19	-1.44	-99.33
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([O-])=CS2)C1	REAL300029782008	0	36	-2.0	-99.20	332.80	-0.38	-99.58
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300029782036	0	39	-2.0	-105.62	345.57	1.06	-104.56
C[C@H](NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1	REAL300029782044	0	39	-2.0	-96.13	363.70	2.67	-93.46
C[C@H](NC(=O)C1=CN([O-])C(=O)NC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029782102	0	39	-2.0	-87.78	351.09	-0.97	-88.75
C[C@H](NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029782142	1	40	-2.0	-78.38	362.13	-0.34	-78.72
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1)C1=COC(=O)[N-]1	REAL300029782487	1	45	-2.0	-91.73	391.87	0.22	-91.51
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1)C1=CC(=O)N[N-]1	REAL300029782553	0	46	-2.0	-91.98	396.69	1.22	-90.76
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1)C1=NC(=O)N[N-]1	REAL300029782610	0	45	-2.0	-91.77	391.29	-0.08	-91.85
O=C(N[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@@H]1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300029782958	1	45	-2.0	-97.32	388.28	1.32	-96.00
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@@H]1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300029783004	0	46	-2.0	-96.04	394.11	1.43	-94.61
O=C(N[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@@H]1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300029783013	0	45	-2.0	-96.98	387.95	0.67	-96.31
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1CC1=CC=CC=C1)C1=CC(=O)[N-]O1	REAL300029783132	0	45	-2.0	-95.50	390.69	1.68	-93.82
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300029784008	0	46	-2.0	-90.93	371.22	-3.48	-94.41
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CN1C(=O)[N-]NC1=O	REAL300029784061	0	48	-2.0	-91.86	385.10	-1.93	-93.79
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300029784462	0	48	-2.0	-101.06	382.30	2.67	-98.39
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300029784544	0	48	-2.0	-88.98	382.79	-2.25	-91.23
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=COC(=O)[N-]1	REAL300029784555	1	44	-2.0	-93.33	354.83	-2.42	-95.75
CCN1[N-]C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)=CC1=O	REAL300029784676	0	51	-2.0	-92.05	403.97	1.11	-90.94
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1=CC(=O)N[N-]1	REAL300029784683	1	48	-2.0	-93.39	380.09	-0.89	-94.28
CN1N=C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)[N-]C1=O	REAL300029784706	0	47	-2.0	-94.30	376.67	-1.32	-95.62
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=C[N-]N=CC1=O	REAL300029784765	0	46	-2.0	-86.14	363.65	0.63	-85.51
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC(=O)N[N-]1	REAL300029784835	0	45	-2.0	-89.08	359.66	-1.42	-90.50
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C(=O)[PH](C)(C)[O-]	REAL300029784840	0	50	-2.0	-87.82	393.60	-0.02	-87.84
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCC1=NC(=O)[N-]N1	REAL300029784861	1	50	-2.0	-100.01	395.61	-1.74	-101.75
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC=CN([O-])C1=O	REAL300029784864	0	48	-2.0	-111.09	379.56	2.68	-108.41
CC1=C([O-])N=C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)S1	REAL300029784885	1	47	-2.0	-101.39	385.96	-1.39	-102.78
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300029784902	0	48	-2.0	-102.37	382.43	2.55	-99.82
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300029784927	0	48	-2.0	-112.18	379.48	3.51	-108.67
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1=NC([O-])=CS1	REAL300029785042	0	47	-2.0	-103.03	385.94	-1.61	-104.64
CC1=CC(=O)C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)=N[N-]1	REAL300029785200	0	49	-2.0	-92.94	388.38	2.37	-90.57
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=NC(=O)N[N-]1	REAL300029785210	0	44	-2.0	-92.09	354.25	-2.73	-94.82
CN1[N-]C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2(C)C)=CC1=O	REAL300029785396	0	48	-2.0	-91.38	382.47	0.28	-91.10
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029785493	0	46	-2.0	-87.89	373.43	-3.72	-91.61
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029785493	1	46	-2.0	-87.89	373.43	-3.72	-91.61
CC1(C)CCN(C(=O)C2=NC=CC=C2O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029785845	0	47	-2.0	-99.50	371.63	2.65	-96.85
CC1(C)CCN(C(=O)C2=NC=CC=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029785845	1	47	-2.0	-99.50	371.63	2.65	-96.85
CC1(C)CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029785944	0	46	-2.0	-97.67	372.27	-3.40	-101.07
CC1(C)CCN(C(=O)CN2C(=O)[N-]NC2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029786039	0	48	-2.0	-100.49	388.19	-1.69	-102.18
CC1(C)CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029786896	1	49	-2.0	-100.71	399.08	2.25	-98.46
CC1(C)CCN(C(=O)C2=COC(=O)[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029786964	1	44	-2.0	-86.98	354.62	-0.93	-87.91
CC1(C)CCN(C(=O)C2=CC=C([O-])C=C2F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787034	1	48	-2.0	-94.06	386.15	2.02	-92.04
CC1(C)CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787038	0	47	-2.0	-89.83	381.95	1.41	-88.42
CC1(C)CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787041	1	49	-2.0	-106.04	398.41	2.31	-103.73
CC1=CC=C([O-])C(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029787094	1	50	-2.0	-109.63	395.78	2.67	-106.96
CC1(C)CCN(C(=O)CCC2=NC(=O)[N-]N2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787095	1	50	-2.0	-97.37	398.46	-1.57	-98.94
CC1(C)CCN(C(=O)C2=C[N-]N=CC2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787105	0	46	-2.0	-92.01	372.82	0.47	-91.54
CC1(C)CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787112	0	48	-2.0	-113.41	385.56	2.43	-110.98
CC1(C)CCN(C(=O)C2=CC=CC([O-])=C2F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787177	1	48	-2.0	-107.64	385.84	1.99	-105.65
CC1(C)CCN(C(=O)C2=CC(=O)N[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787249	0	45	-2.0	-90.61	359.49	-1.00	-91.61
CC1(C)CCN(C(=O)C(=O)[PH](C)(C)[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787254	0	50	-2.0	-92.02	394.04	0.36	-91.66
CC1(C)CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787308	0	48	-2.0	-102.48	390.38	2.66	-99.82
CC1(C)CCN(C(=O)C2=NC(=O)N[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787325	0	44	-2.0	-87.63	353.99	-1.65	-89.28
CC1(C)CCN(C(=O)C2=CC=CN([O-])C2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787330	0	48	-2.0	-117.36	389.08	2.60	-114.76
CC1(C)CCN(C(=O)C2=CC(F)=CC=C2O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787443	0	48	-2.0	-100.99	386.99	2.36	-98.63
CC1(C)CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787443	1	48	-2.0	-100.99	386.99	2.36	-98.63
CC1=CC=NC(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1O	REAL300029787486	0	50	-2.0	-108.37	391.91	3.30	-105.07
CC1=CC=NC(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029787486	1	50	-2.0	-108.37	391.91	3.30	-105.07
CC1(C)CCN(C(=O)C2=CN=CC(O)=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787546	0	47	-2.0	-96.52	374.86	0.06	-96.46
CC1(C)CCN(C(=O)C2=CN=CC([O-])=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787546	1	47	-2.0	-96.52	374.86	0.06	-96.46
CC1(C)CCN(C(=O)CC2=NC([O-])=CS2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787642	0	47	-2.0	-113.49	389.05	-1.33	-114.82
CC1=CC(=O)C(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029787751	0	49	-2.0	-97.25	389.41	2.49	-94.76
CC1(C)CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787766	0	48	-2.0	-122.12	389.62	2.42	-119.70
CC1(C)CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787785	0	48	-2.0	-96.74	398.78	0.31	-96.43
CN1N=C(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029787813	0	47	-2.0	-97.89	376.69	-0.86	-98.75
CC1(C)CCN(C(=O)C2=CC(C#N)=CC=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787852	0	49	-2.0	-99.83	400.34	2.70	-97.13
CC1(C)CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787944	1	48	-2.0	-92.42	386.24	2.00	-90.42
CC1(C)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787996	0	46	-2.0	-87.79	377.10	-3.98	-91.77
CC1(C)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029787996	1	46	-2.0	-87.79	377.10	-3.98	-91.77
CC1(C)CCN(C(=O)C2=CN=C(N)NC2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029788032	0	48	-2.0	-101.69	387.23	-0.86	-102.55
CC1(C)CCN(C(=O)C2=CN=C(N)[N-]C2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029788032	1	48	-2.0	-101.69	387.23	-0.86	-102.55
CC1(C)CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029788123	0	44	-2.0	-93.43	354.41	-0.94	-94.37
CC1SC(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029788140	0	47	-2.0	-91.61	386.22	-0.26	-91.87
CC1=C([O-])N=C(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029788140	1	47	-2.0	-91.61	386.22	-0.26	-91.87
CCN1[N-]C(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029788284	0	51	-2.0	-94.38	403.80	1.61	-92.77
CN1[N-]C(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029788300	0	48	-2.0	-93.35	381.98	0.68	-92.67
CC1(C)CCN(C(=O)CC2=CC(=O)NN2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029788386	0	48	-2.0	-103.21	383.19	-0.61	-103.82
CC1(C)CCN(C(=O)CC2=CC(=O)N[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029788386	1	48	-2.0	-103.21	383.19	-0.61	-103.82
CC1(C)CCN(C(=O)C2=CC=C(O)C(F)=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029788390	0	48	-2.0	-92.71	386.22	2.03	-90.68
CC1(C)CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029788390	1	48	-2.0	-92.71	386.22	2.03	-90.68
CC1=CN=C(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C(O)=C1	REAL300029788453	0	50	-2.0	-110.21	395.62	2.72	-107.49
CC1=CN=C(C(=O)N2CCC(C)(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029788453	1	50	-2.0	-110.21	395.62	2.72	-107.49
CC1(C)CCN(C(=O)C2=CC([O-])=CS2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029788466	0	45	-2.0	-100.90	369.73	0.88	-100.02
CC1(C)CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029788478	0	48	-2.0	-100.47	389.75	2.63	-97.84
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789344	0	41	-2.0	-82.25	365.54	-1.81	-84.06
O=C(CCCN1C(=O)[N-]NC1=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029789894	0	42	-2.0	-92.57	372.30	-2.46	-95.03
CC(C)CN1[N-]C(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)=CC1=O	REAL300029790090	0	48	-2.0	-99.53	406.79	1.30	-98.23
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790184	0	40	-2.0	-91.48	360.12	-5.20	-96.68
CC(=O)[N-]C1=NC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)=CS1	REAL300029790185	1	38	-2.0	-84.92	353.33	-1.67	-86.59
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790399	1	41	-2.0	-98.72	365.56	-0.96	-99.68
COC1=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)NC(=O)[N-]C1=O	REAL300029790544	1	39	-2.0	-91.40	348.63	-4.00	-95.40
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=NNC(=O)[N-]C1=O	REAL300029790695	0	34	-2.0	-90.16	315.49	-5.23	-95.39
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029790836	0	36	-2.0	-92.64	329.81	-3.67	-96.31
O=C(CN1[N-]C=C2C1=NC=NC2=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029791016	0	40	-2.0	-96.39	363.36	-0.80	-97.19
O=C([N-][C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C(F)(F)C(F)(F)C(F)F	REAL300029791912	0	34	-2.0	-86.05	326.79	-0.20	-86.25
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CN([O-])C(=O)C=C1	REAL300029791929	0	36	-2.0	-103.25	327.55	0.92	-102.33
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CC(=O)NC([O-])=C1	REAL300029792137	0	36	-2.0	-84.74	327.16	-4.10	-88.84
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=COC(=O)[N-]1	REAL300029792154	1	32	-2.0	-88.28	298.36	-4.22	-92.50
O=C([N-][C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C(F)(F)C(F)(F)F	REAL300029792305	0	31	-2.0	-81.56	305.31	-0.83	-82.39
CCN1[N-]C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)=CC1=O	REAL300029792440	0	39	-2.0	-90.45	347.83	-0.59	-91.04
O=C(CC1=CC(=O)N[N-]1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792451	1	36	-2.0	-96.37	324.80	-2.63	-99.00
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CC=CC(=S)N1[O-]	REAL300029792478	0	36	-2.0	-116.38	335.11	2.94	-113.44
O=C(CC1SC(=O)[N-]C1=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792497	0	36	-2.0	-87.80	338.00	-4.11	-91.91
CN1N=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)[N-]C1=O	REAL300029792517	0	35	-2.0	-91.74	321.38	-3.06	-94.80
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=C[N-]N=CC1=O	REAL300029792665	0	34	-2.0	-81.42	307.51	-1.09	-82.51
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CC=C2N=NN([O-])C2=C1	REAL300029792710	0	38	-2.0	-99.49	343.25	-0.69	-100.18
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CC(=O)N[N-]1	REAL300029792837	0	33	-2.0	-86.95	303.92	-3.16	-90.11
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792842	0	38	-2.0	-85.40	342.69	-1.95	-87.35
O=C(CCC1=NC(=O)[N-]N1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029792886	1	38	-2.0	-101.96	340.83	-3.49	-105.45
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CC=CN([O-])C1=O	REAL300029792896	0	36	-2.0	-103.47	324.07	1.07	-102.40
CSC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C(=O)[N-]1	REAL300029792922	1	38	-2.0	-90.29	350.22	-1.14	-91.43
CC1=C([O-])N=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)S1	REAL300029792950	1	35	-2.0	-96.48	330.72	-3.04	-99.52
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CC(=O)C=C(Cl)[N-]1	REAL300029792974	1	35	-2.0	-88.11	335.06	0.14	-87.97
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CC(=O)N([O-])C=C1	REAL300029793002	0	36	-2.0	-104.47	327.94	0.90	-103.57
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CC=CC(=O)N1[O-]	REAL300029793077	0	36	-2.0	-113.73	324.00	1.91	-111.82
O=C(C[N-]C(=O)C(F)(F)F)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793295	0	35	-2.0	-86.39	333.42	-3.35	-89.74
NC1=NC([O-])=C(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)S1	REAL300029793296	0	37	-2.0	-108.64	344.62	-4.19	-112.83
O=C(CC1=NC([O-])=CS1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793375	0	35	-2.0	-108.68	330.65	-3.35	-112.03
O=C(CN1N=CC(=O)[N-]C1=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029793421	0	37	-2.0	-99.47	339.30	-4.76	-104.23
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=C(Cl)C(=O)[N-]S1	REAL300029793521	0	32	-2.0	-87.86	320.85	-1.93	-89.79
COCC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C(=O)N1	REAL300029793661	0	41	-2.0	-90.02	361.91	-2.40	-92.42
COCC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C(=O)[N-]1	REAL300029793661	1	41	-2.0	-90.02	361.91	-2.40	-92.42
CC1=CC(=O)C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)=N[N-]1	REAL300029793784	0	37	-2.0	-90.67	332.68	0.63	-90.04
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=NNC(=O)[N-]1	REAL300029793808	0	32	-2.0	-90.45	297.77	-4.69	-95.14
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029793839	0	37	-2.0	-84.06	339.75	-0.15	-84.21
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029793839	1	37	-2.0	-84.06	339.75	-0.15	-84.21
CC1=NC2=NC=C(C(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3F)C(=O)N2[N-]1	REAL300029793875	0	40	-2.0	-84.72	356.42	2.01	-82.71
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CN=C(C=N[O-])S1	REAL300029794002	0	35	-2.0	-97.96	339.32	-1.58	-99.54
COC1=NC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)=CC(=O)[N-]1	REAL300029794023	0	38	-2.0	-89.72	344.86	-5.25	-94.97
CN1[N-]C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)=CC1=O	REAL300029794290	0	36	-2.0	-87.95	326.87	-1.55	-89.50
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300029794300	1	39	-2.0	-104.73	349.63	-1.13	-105.86
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794304	0	36	-2.0	-90.90	341.12	-3.44	-94.34
CC1=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2F)C(=S)[N-]C(=O)N1	REAL300029794305	1	38	-2.0	-105.28	353.83	-1.98	-107.26
O=C([N-][C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C(F)(F)C(F)F	REAL300029794472	0	31	-2.0	-83.22	297.67	-1.04	-84.26
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=NC(=O)[N-]C(=O)N1	REAL300029794571	0	34	-2.0	-91.82	317.05	-6.21	-98.03
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=NC(=O)NC(=O)[N-]1	REAL300029794571	1	34	-2.0	-82.57	317.83	-5.55	-88.12
O=C(COC1=NC(=O)[N-]C(=O)N1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794671	0	38	-2.0	-92.25	351.03	-7.12	-99.37
O=C(COC1=NC(=O)NC(=O)[N-]1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794671	1	38	-2.0	-87.11	350.08	-7.03	-94.14
O=C(CN1[N-]C(=O)C=CC1=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F	REAL300029794850	0	38	-2.0	-93.52	345.07	-2.66	-96.18
O=C(N[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029795099	1	35	-2.0	-102.38	315.57	0.89	-101.49
O=C(CCN1C=C[N-]C(=O)C1=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029795230	1	41	-2.0	-94.00	369.57	-0.78	-94.78
CC(=O)[N-]C1=NC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=CS1	REAL300029795248	1	38	-2.0	-81.91	353.65	-1.17	-83.08
O=C(N[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029795289	0	34	-2.0	-97.11	313.76	-4.87	-101.98
COC1=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)NC(=O)[N-]C1=O	REAL300029795359	1	39	-2.0	-96.62	347.86	-3.68	-100.30
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029795570	0	36	-2.0	-98.14	332.20	-3.59	-101.73
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029795640	0	40	-2.0	-94.13	365.56	-0.64	-94.77
O=C(CCCN1C(=O)[N-]NC1=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029796836	0	42	-2.0	-91.46	376.13	-2.19	-93.65
CC(C)CN1[N-]C(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=CC1=O	REAL300029797047	0	48	-2.0	-98.40	409.40	1.55	-96.85
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029797360	0	41	-2.0	-76.59	364.50	-0.80	-77.39
O=C(CCC1=NNC(=O)[N-]C1=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798262	0	40	-2.0	-94.12	362.42	-5.09	-99.21
O=C(N[C@@H]1CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798272	0	38	-2.0	-87.70	343.92	1.72	-85.98
O=C(N[C@@H]1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798291	1	36	-2.0	-97.65	332.53	2.08	-95.57
N#CC1=CC([O-])=CC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=C1	REAL300029798332	1	37	-2.0	-89.40	339.60	0.36	-89.04
NC1=CC=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C([O-])=C1Cl	REAL300029798369	0	38	-2.0	-104.50	349.78	-0.58	-105.08
O=C(N[C@@H]1CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798441	0	38	-2.0	-103.10	346.59	2.80	-100.30
O=C(N[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798510	1	32	-2.0	-84.64	298.94	-3.23	-87.87
O=C(N[C@@H]1CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798607	0	38	-2.0	-103.49	345.50	1.78	-101.71
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798627	0	35	-2.0	-92.60	337.94	-3.16	-95.76
NC1=NC([O-])=C(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)S1	REAL300029798628	0	37	-2.0	-103.19	348.09	-3.96	-107.15
O=C(N[C@@H]1CN(C(=O)C2=C(F)C=C([O-])C=C2F)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798641	0	36	-2.0	-86.47	340.55	0.44	-86.03
O=C(N[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2F)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798674	1	36	-2.0	-98.25	328.71	0.19	-98.06
O=C(N[C@@H]1CN(C(=O)C2=CC([O-])=C3SC=CC3=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798685	1	39	-2.0	-91.27	354.86	1.24	-90.03
O=C(N[C@@H]1CN(C(=O)C2=CC([O-])=CC(=O)O2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798688	0	35	-2.0	-85.25	323.73	-0.53	-85.78
N#CC1=CC=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C=C1[O-]	REAL300029798703	1	37	-2.0	-85.34	338.06	0.33	-85.01
O=C(N[C@@H]1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798709	0	35	-2.0	-93.88	332.97	-0.53	-94.41
N#CC1=CC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=C(N)[N-]C1=O	REAL300029798718	0	38	-2.0	-86.58	353.81	-2.82	-89.40
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798739	0	37	-2.0	-95.79	342.77	-4.57	-100.36
CC1=CC=C([O-])C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=N1	REAL300029798852	1	38	-2.0	-103.90	336.97	1.30	-102.60
O=C(CCC1=NC(=O)[N-]N1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029798856	1	38	-2.0	-95.01	343.86	-3.32	-98.33
O=C(N[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798885	0	34	-2.0	-92.06	318.10	-1.20	-93.26
O=C(N[C@@H]1CN(C(=O)C2=CC=CC(F)=C2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029798900	0	36	-2.0	-103.16	326.82	1.47	-101.69
O=C(N[C@@H]1CN(C(=O)C2=CC=CC([O-])=C2F)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799058	1	36	-2.0	-99.72	327.07	0.15	-99.57
O=C(N[C@@H]1CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799156	0	38	-2.0	-86.67	343.89	1.70	-84.97
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799235	0	33	-2.0	-86.35	303.71	-2.99	-89.34
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799243	0	38	-2.0	-94.55	337.67	-1.79	-96.34
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029799278	0	41	-2.0	-98.15	370.43	1.79	-96.36
COCC1=NC=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C(=O)N1	REAL300029799328	0	41	-2.0	-93.47	371.75	-2.64	-96.11
COCC1=NC=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C(=O)[N-]1	REAL300029799328	1	41	-2.0	-93.47	371.75	-2.64	-96.11
CC1=CC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300029799338	0	41	-2.0	-94.23	363.97	2.42	-91.81
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799404	0	36	-2.0	-108.56	334.91	0.90	-107.66
O=C(N[C@@H]1CN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799445	0	36	-2.0	-92.70	339.56	0.27	-92.43
O=C(N[C@@H]1CN(C(=O)C2=NNC(=O)[N-]2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799447	0	32	-2.0	-91.75	297.61	-4.36	-96.11
O=C(N[C@@H]1CN(C(=O)C2=C(O)C=CC=C2Cl)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799453	0	36	-2.0	-96.43	344.03	0.83	-95.60
O=C(N[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2Cl)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799453	1	36	-2.0	-96.43	344.03	0.83	-95.60
O=C(N[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799463	0	36	-2.0	-119.44	328.34	1.28	-118.16
O=C(N[C@@H]1CN(C(=O)C2=C(F)C=CC(O)=C2F)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799512	0	36	-2.0	-91.62	340.05	0.34	-91.28
O=C(N[C@@H]1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799512	1	36	-2.0	-91.62	340.05	0.34	-91.28
N#CC1=CN(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C(=O)[N-]C1=O	REAL300029799674	0	39	-2.0	-99.80	368.37	-2.25	-102.05
O=C(N[C@@H]1CN(C(=O)C2=CC(F)=CC=C2O)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799760	0	36	-2.0	-97.69	322.21	1.63	-96.06
O=C(N[C@@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799760	1	36	-2.0	-97.69	322.21	1.63	-96.06
CC1=CC=NC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=C1[O-]	REAL300029799876	1	38	-2.0	-103.02	335.70	1.41	-101.61
O=C(N[C@@H]1CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029799945	0	36	-2.0	-102.65	343.56	1.52	-101.13
O=C(N[C@@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029800087	1	35	-2.0	-85.68	312.87	-1.86	-87.54
O=C(N[C@@H]1CN(C(=O)C2=CC=CC(=S)N2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029800103	0	36	-2.0	-106.90	344.88	1.32	-105.58
NC1=CC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=CC([O-])=C1Cl	REAL300029800297	1	38	-2.0	-96.06	347.34	-1.51	-97.57
O=C(N[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029800302	0	35	-2.0	-82.07	333.66	-0.46	-82.53
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800380	0	40	-2.0	-90.47	359.01	-0.03	-90.50
O=C(N[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2Cl)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029800387	1	36	-2.0	-96.43	337.44	0.63	-95.80
N#CC1=CC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=C([O-])C=C1N	REAL300029800390	0	39	-2.0	-97.11	354.99	-0.76	-97.87
O=C(CC1=NC([O-])=CS1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800405	0	35	-2.0	-104.99	333.26	-3.09	-108.08
O=C(N[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2F)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029800433	0	36	-2.0	-108.20	334.54	0.44	-107.76
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800437	0	38	-2.0	-98.30	348.06	-2.30	-100.60
O=C(N[C@@H]1CN(C(=O)C2=CC=C(F)C=C2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029800442	0	36	-2.0	-111.43	328.48	1.07	-110.36
CC1=CC=C(F)C([O-])=C1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800502	0	39	-2.0	-101.01	353.20	0.92	-100.09
O=C(CC1SC(=O)[N-]C1=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800617	0	36	-2.0	-86.39	340.86	-3.87	-90.26
O=C(N[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029800651	0	36	-2.0	-91.80	333.92	0.18	-91.62
O=C(N[C@@H]1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029800655	1	37	-2.0	-88.80	350.50	-1.14	-89.94
O=C(N[C@@H]1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029800662	0	36	-2.0	-98.37	336.62	1.95	-96.42
CC1=CC(=O)C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=N[N-]1	REAL300029800706	0	37	-2.0	-94.29	331.67	0.89	-93.40
O=C(C=C([O-])C1=CC=C(O)C=C1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800712	0	41	-2.0	-108.31	364.70	0.49	-107.82
O=C(N[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029800751	0	36	-2.0	-104.86	333.77	0.69	-104.17
N#CC1=CC=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C(=O)[N-]1	REAL300029800801	0	36	-2.0	-87.92	343.72	-1.40	-89.32
O=C(COC1=NC(=O)[N-]C(=O)N1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800802	0	38	-2.0	-97.09	354.71	-6.82	-103.91
O=C(COC1=NC(=O)NC(=O)[N-]1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800802	1	38	-2.0	-89.56	353.04	-6.86	-96.42
O=C(N[C@@H]1CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029800834	0	38	-2.0	-87.71	349.40	1.68	-86.03
CC1=CC([O-])=C(Cl)C=C1C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029800868	0	39	-2.0	-85.99	356.13	1.32	-84.67
CN1N=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)[N-]C1=O	REAL300029800884	0	35	-2.0	-99.33	322.00	-2.71	-102.04
[N-]=[N+]=NC1=CC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=CC=C1[O-]	REAL300029800931	0	38	-2.0	-84.36	349.73	-2.12	-86.48
O=C(N[C@@H]1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029800978	1	37	-2.0	-98.24	344.42	-1.57	-99.81
N#CC1=CC=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C([O-])=C1	REAL300029800979	0	37	-2.0	-108.99	342.90	1.42	-107.57
N#CC1=CC=C([O-])C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=C1	REAL300029800993	0	37	-2.0	-95.98	336.64	1.97	-94.01
O=C(N[C@@H]1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801156	0	36	-2.0	-90.44	338.85	-1.77	-92.21
O=C(N[C@@H]1CN(C(=O)C2=CC=C(F)C(O)=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801240	0	36	-2.0	-88.71	324.12	-0.05	-88.76
O=C(N[C@@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801240	1	36	-2.0	-88.71	324.12	-0.05	-88.76
O=C(N[C@@H]1CN(C(=O)C2=C(O)C3=NC=CC=C3C=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801250	0	41	-2.0	-113.30	362.18	1.41	-111.89
O=C(N[C@@H]1CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801250	1	41	-2.0	-113.30	362.18	1.41	-111.89
O=C(N[C@@H]1CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801254	0	38	-2.0	-108.60	350.22	1.66	-106.94
O=C(N[C@@H]1CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801258	0	38	-2.0	-90.46	349.38	1.58	-88.88
O=C(N[C@@H]1CN(C(=O)C2=CC=C(Cl)C=C2O)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801272	0	36	-2.0	-111.08	338.79	1.51	-109.57
O=C(N[C@@H]1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801272	1	36	-2.0	-111.08	338.79	1.51	-109.57
O=C(N[C@@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801413	0	34	-2.0	-93.08	317.37	-5.37	-98.45
O=C(N[C@@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801413	1	34	-2.0	-83.49	316.59	-4.57	-88.06
O=C(N[C@@H]1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801464	0	38	-2.0	-88.86	340.20	-1.08	-89.94
O=C(N[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801513	1	41	-2.0	-109.01	360.64	3.06	-105.95
O=C(N[C@@H]1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801514	0	32	-2.0	-93.96	319.78	-2.01	-95.97
CC1=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)[N-]C(=O)C(C#N)=C1	REAL300029801586	0	39	-2.0	-80.89	352.98	0.25	-80.64
O=C(N[C@@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2F)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801615	0	36	-2.0	-101.43	333.87	0.16	-101.27
O=C(N[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801688	0	36	-2.0	-87.84	340.08	0.53	-87.31
O=C(N[C@@H]1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801697	1	37	-2.0	-86.19	348.67	-0.22	-86.41
COC1=NC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=CC(=O)[N-]1	REAL300029801704	0	38	-2.0	-91.05	342.49	-4.47	-95.52
O=C(N[C@@H]1CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801707	0	38	-2.0	-90.34	348.70	-1.14	-91.48
O=C(N[C@@H]1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801720	0	35	-2.0	-99.26	331.56	1.24	-98.02
O=C(CC1=CC=C([O-])C(Cl)=C1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029801727	1	39	-2.0	-97.89	364.41	1.74	-96.15
O=C(N[C@@H]1CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801779	0	36	-2.0	-85.44	333.92	0.45	-84.99
O=C(N[C@@H]1CN(C(=O)C2=CC=NC=C2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801791	0	35	-2.0	-97.28	315.59	-0.42	-97.70
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801801	0	32	-2.0	-90.67	297.93	-2.75	-93.42
CC1=C([O-])N=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)S1	REAL300029801852	1	35	-2.0	-91.14	329.75	-2.21	-93.35
O=C(N[C@@H]1CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801914	1	42	-2.0	-105.35	372.70	2.50	-102.85
O=C(N[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801934	1	42	-2.0	-117.52	367.20	3.37	-114.15
O=C(N[C@@H]1CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029801943	1	42	-2.0	-105.42	361.86	3.81	-101.61
O=C(N[C@@H]1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029802003	1	38	-2.0	-87.80	339.96	0.35	-87.45
O=C(N[C@@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029802043	0	35	-2.0	-102.94	336.62	-1.80	-104.74
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029802081	1	35	-2.0	-83.23	333.34	0.55	-82.68
CSC1=NC=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C(=O)[N-]1	REAL300029802112	1	38	-2.0	-93.21	360.13	-1.38	-94.59
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029802122	0	36	-2.0	-84.82	334.43	-4.08	-88.90
CCN1[N-]C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=CC1=O	REAL300029802221	0	39	-2.0	-90.06	348.26	-0.35	-90.41
O=C(CNC(=O)C1=NC=CC=C1[O-])N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802233	1	42	-2.0	-99.13	377.77	-1.11	-100.24
CN1[N-]C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)=CC1=O	REAL300029802247	0	36	-2.0	-89.47	326.61	-1.28	-90.75
O=C(N[C@@H]1CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029802261	1	39	-2.0	-101.68	347.20	-1.39	-103.07
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802266	0	36	-2.0	-92.47	343.85	-3.17	-95.64
CC1=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C(=S)[N-]C(=O)N1	REAL300029802268	1	38	-2.0	-100.88	354.31	-1.94	-102.82
O=C(N[C@@H]1CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029802346	1	41	-2.0	-97.15	367.33	0.62	-96.53
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1	REAL300029802474	1	36	-2.0	-95.47	327.42	-2.38	-97.85
O=C(N[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029802481	1	36	-2.0	-90.42	324.07	-0.02	-90.44
O=C(N[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029802555	0	36	-2.0	-91.39	330.36	0.05	-91.34
O=C(N[C@@H]1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029802561	0	35	-2.0	-98.68	332.28	-0.49	-99.17
CC1=C(CC(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C(=O)N(C)[N-]1	REAL300029802586	0	42	-2.0	-104.18	370.06	-0.11	-104.29
O=C(CCC(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](F)C1)C1=CC=C([O-])C=C1	REAL300029802598	1	44	-2.0	-95.17	389.62	1.70	-93.47
CC1=CN=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](F)C2)C([O-])=C1	REAL300029802642	1	38	-2.0	-103.76	337.01	1.52	-102.24
O=C(N[C@@H]1CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029802661	0	37	-2.0	-100.26	354.22	-1.92	-102.18
O=C(N[C@@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029802687	0	33	-2.0	-98.24	310.47	-1.02	-99.26
O=C(N[C@@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029802715	0	36	-2.0	-98.78	334.20	0.81	-97.97
O=C(N[C@@H]1CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C[C@@H]1F)C1=CC(=O)[N-]O1	REAL300029802723	0	36	-2.0	-92.82	338.90	2.23	-90.59
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CN([O-])C(=O)NC1=O	REAL300029802781	0	36	-2.0	-88.41	328.85	-1.54	-89.95
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1F)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029802821	1	37	-2.0	-78.22	340.67	-0.94	-79.16
O=C(C1=COC(=O)[N-]1)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803634	1	40	-2.0	-86.49	335.88	-3.44	-89.93
O=C(CC1=CC(=O)N[N-]1)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803714	1	44	-2.0	-97.59	364.45	-3.12	-100.71
CN1N=C(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029803723	0	43	-2.0	-94.58	358.50	-3.32	-97.90
O=C(C1=CC(=O)[N-]O1)N1CC(=O)N[C@@H]2CN(C(=O)C3=C[N-]N=CC3=O)CC[C@@H]21	REAL300029803755	0	42	-2.0	-80.14	348.53	-2.06	-82.20
O=C(C1=CC(=O)N[N-]1)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029803789	0	41	-2.0	-87.44	340.94	-3.47	-90.91
O=C(C1=CC(=O)[N-]O1)N1CC(=O)N[C@@H]2CN(C(=O)C3=NC(=O)N[N-]3)CC[C@@H]21	REAL300029803970	0	40	-2.0	-86.44	335.05	-4.13	-90.57
CN1[N-]C(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)CN3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029804062	0	44	-2.0	-89.98	363.86	-1.77	-91.75
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=NC=CC=C1[O-]	REAL300029804420	1	43	-2.0	-97.13	353.26	0.20	-96.93
O=C(C1=COC(=O)[N-]1)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029804852	1	40	-2.0	-90.65	336.05	-3.48	-94.13
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=C[N-]N=CC1=O	REAL300029804923	0	42	-2.0	-82.83	346.33	-2.10	-84.93
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)N[N-]1	REAL300029804976	0	41	-2.0	-87.57	340.39	-3.54	-91.11
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=NC(=O)N[N-]1	REAL300029805003	0	40	-2.0	-90.21	334.86	-4.23	-94.44
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CN=CC([O-])=C1	REAL300029805109	1	43	-2.0	-90.67	353.81	-2.49	-93.16
CN1N=C(C(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)[N-]C1=O	REAL300029805205	0	43	-2.0	-93.51	357.61	-3.46	-96.97
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC=NC=C1[O-]	REAL300029805325	0	43	-2.0	-97.11	352.73	-1.20	-98.31
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC(=O)[N-]O1	REAL300029805328	0	40	-2.0	-92.80	335.87	-3.43	-96.23
CN1[N-]C(C(=O)N2CC(=O)N[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=CC1=O	REAL300029805410	0	44	-2.0	-89.63	363.15	-1.83	-91.46
O=C(CC1=CC(=O)N[N-]1)N1CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300029805450	1	44	-2.0	-95.03	364.67	-3.15	-98.18
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@@H](C1)NC(=O)CN2C(=O)C1=CC([O-])=CS1	REAL300029805488	0	41	-2.0	-97.13	348.48	-1.93	-99.06
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300029806322	0	42	-2.0	-105.72	358.01	-5.36	-111.08
O=C(CN1C(=O)[N-]NC1=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806375	0	44	-2.0	-102.21	368.62	-2.57	-104.78
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300029806776	0	44	-2.0	-116.69	367.29	0.62	-116.07
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300029806858	0	44	-2.0	-94.78	367.86	-3.41	-98.19
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300029806869	1	40	-2.0	-97.19	341.65	-4.30	-101.49
O=C([N-]CC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300029806933	1	39	-2.0	-97.95	346.06	0.75	-97.20
CCN1[N-]C(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029806990	0	47	-2.0	-102.85	391.31	-0.65	-103.50
O=C(CC1=CC(=O)N[N-]1)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029806997	1	44	-2.0	-99.79	364.18	-1.81	-101.60
CN1N=C(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029807020	0	43	-2.0	-102.87	361.94	-2.39	-105.26
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300029807079	0	42	-2.0	-91.95	349.02	-0.44	-92.39
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300029807149	0	41	-2.0	-99.95	346.43	-3.32	-103.27
C[PH](C)([O-])C(=O)C(=O)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807154	0	46	-2.0	-100.37	385.63	-1.97	-102.34
O=C(CCC1=NC(=O)NN1)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807175	0	46	-2.0	-108.32	378.73	-2.90	-111.22
O=C(CCC1=NC(=O)[N-]N1)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807175	1	46	-2.0	-108.32	378.73	-2.90	-111.22
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300029807178	0	44	-2.0	-111.77	364.99	1.67	-110.10
CC1SC(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300029807199	0	43	-2.0	-105.13	371.24	-2.47	-107.60
CC1=C([O-])N=C(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)S1	REAL300029807199	1	43	-2.0	-105.13	371.24	-2.47	-107.60
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300029807216	0	44	-2.0	-112.29	369.85	0.74	-111.55
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300029807241	0	44	-2.0	-109.86	363.75	1.54	-108.32
O=C(CC1=NC([O-])=CS1)NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1	REAL300029807356	0	43	-2.0	-115.70	371.42	-3.56	-119.26
CC1=CC(=O)C(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029807514	0	45	-2.0	-102.74	373.43	1.19	-101.55
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300029807524	0	40	-2.0	-98.13	339.28	-3.90	-102.03
CN1[N-]C(C(=O)NCC2CC3OCCC3N2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029807710	0	44	-2.0	-99.63	367.51	-0.88	-100.51
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300029807807	0	42	-2.0	-98.81	357.83	-5.66	-104.47
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300029807807	1	42	-2.0	-97.04	357.97	-5.81	-102.85
O=C(NCC1CC2OCCC2N1C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029808159	1	43	-2.0	-116.70	354.86	1.69	-115.01
O=C(NCC1CC2OCCC2N1C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029808253	0	42	-2.0	-96.86	357.78	-4.85	-101.71
O=C(CN1C(=O)[N-]NC1=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029808338	0	44	-2.0	-106.13	370.87	-3.15	-109.28
N#CC1=CC([O-])=CC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)=C1	REAL300029809056	1	45	-2.0	-92.33	377.73	1.11	-91.22
O=C(NCC1CC2OCCC2N1C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029809112	1	40	-2.0	-94.87	339.71	-1.69	-96.56
O=C(NCC1CC2OCCC2N1C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300029809179	1	44	-2.0	-100.59	362.50	0.98	-99.61
O=C(NCC1CC2OCCC2N1C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300029809183	0	43	-2.0	-101.65	364.04	-0.74	-102.39
N#CC1=CC=C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C=C1[O-]	REAL300029809185	1	45	-2.0	-109.45	381.67	0.76	-108.69
CC1=CC=C([O-])C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)=N1	REAL300029809230	1	46	-2.0	-122.66	377.71	2.45	-120.21
O=C(NCC1CC2OCCC2N1C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300029809241	0	42	-2.0	-90.87	349.98	-1.54	-92.41
O=C(NCC1CC2OCCC2N1C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300029809246	0	44	-2.0	-120.52	361.39	2.31	-118.21
O=C(NCC1CC2OCCC2N1C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029809302	1	44	-2.0	-116.23	361.71	0.91	-115.32
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300029809363	0	41	-2.0	-96.88	344.14	-2.13	-99.01
C[PH](C)([O-])C(=O)C(=O)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809367	0	46	-2.0	-89.47	385.25	-1.73	-91.20
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300029809414	0	44	-2.0	-115.95	361.75	1.25	-114.70
O=C(NCC1CC2OCCC2N1C(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300029809431	0	40	-2.0	-100.37	339.05	-3.48	-103.85
O=C(NCC1CC2OCCC2N1C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300029809435	0	44	-2.0	-99.44	363.32	0.96	-98.48
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(F)=CC=C1O)C1=CC(=O)[N-]O1	REAL300029809533	0	44	-2.0	-115.24	360.14	2.30	-112.94
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029809533	1	44	-2.0	-115.24	360.14	2.30	-112.94
CC1=CC=NC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)=C1O	REAL300029809573	0	46	-2.0	-121.53	375.52	2.67	-118.86
CC1=CC=NC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)=C1[O-]	REAL300029809573	1	46	-2.0	-121.53	375.52	2.67	-118.86
O=C(NCC1CC2OCCC2N1C(=O)C1=CN=CC(O)=C1)C1=CC(=O)[N-]O1	REAL300029809629	0	43	-2.0	-107.14	356.03	-1.53	-108.67
O=C(NCC1CC2OCCC2N1C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300029809629	1	43	-2.0	-107.14	356.03	-1.53	-108.67
O=C(CC1=NC([O-])=CS1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029809715	0	43	-2.0	-115.40	371.91	-2.60	-118.00
CC1=CC(=O)C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)=N[N-]1	REAL300029809806	0	45	-2.0	-97.34	372.70	0.76	-96.58
O=C(NCC1CC2OCCC2N1C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300029809816	0	44	-2.0	-96.29	362.54	0.63	-95.66
N#CC1=CC=C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C(=O)[N-]1	REAL300029809831	0	44	-2.0	-93.47	355.69	-2.25	-95.72
CN1N=C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)[N-]C1=O	REAL300029809854	0	43	-2.0	-97.73	363.58	-2.70	-100.43
N#CC1=CC=C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C([O-])=C1	REAL300029809883	0	45	-2.0	-111.00	376.62	2.69	-108.31
N#CC1=CC=C([O-])C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)=C1	REAL300029809888	0	45	-2.0	-110.59	374.59	2.63	-107.96
O=C(NCC1CC2OCCC2N1C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300029809967	1	44	-2.0	-115.95	362.08	0.76	-115.19
O=C(NCC1CC2OCCC2N1C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300029810009	0	42	-2.0	-95.87	357.33	-4.34	-100.21
O=C(NCC1CC2OCCC2N1C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029810009	1	42	-2.0	-95.87	357.33	-4.34	-100.21
NC1=NC=C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C(=O)N1	REAL300029810038	0	44	-2.0	-91.56	361.30	-2.15	-93.71
NC1=NC=C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C(=O)[N-]1	REAL300029810038	1	44	-2.0	-91.56	361.30	-2.15	-93.71
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300029810116	0	40	-2.0	-99.86	339.43	-2.11	-101.97
CC1SC(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)=NC1=O	REAL300029810130	0	43	-2.0	-103.46	373.60	-1.76	-105.22
CC1=C([O-])N=C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)S1	REAL300029810130	1	43	-2.0	-103.46	373.60	-1.76	-105.22
O=C(NCC1CC2OCCC2N1C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300029810220	0	44	-2.0	-99.02	360.40	-3.66	-102.68
CCN1[N-]C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)=CC1=O	REAL300029810260	0	47	-2.0	-106.98	384.59	0.44	-106.54
CN1[N-]C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)=CC1=O	REAL300029810272	0	44	-2.0	-94.39	368.71	-1.09	-95.48
O=C(CC1=CC(=O)NN1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810340	0	44	-2.0	-105.07	366.00	-2.10	-107.17
O=C(CC1=CC(=O)N[N-]1)N1C(CNC(=O)C2=CC(=O)[N-]O2)CC2OCCC21	REAL300029810340	1	44	-2.0	-105.07	366.00	-2.10	-107.17
O=C(NCC1CC2OCCC2N1C(=O)C1=CC=C(O)C(F)=C1)C1=CC(=O)[N-]O1	REAL300029810344	0	44	-2.0	-104.15	362.05	0.77	-103.38
O=C(NCC1CC2OCCC2N1C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300029810344	1	44	-2.0	-104.15	362.05	0.77	-103.38
CC1=CN=C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C(O)=C1	REAL300029810397	0	46	-2.0	-123.82	374.51	2.05	-121.77
CC1=CN=C(C(=O)N2C(CNC(=O)C3=CC(=O)[N-]O3)CC3OCCC32)C([O-])=C1	REAL300029810397	1	46	-2.0	-123.82	374.51	2.05	-121.77
O=C(NCC1CC2OCCC2N1C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300029810409	0	41	-2.0	-112.38	345.52	-0.66	-113.04
O=C(NCC1CC2OCCC2N1C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300029810419	0	44	-2.0	-116.64	367.12	0.86	-115.78
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300029810971	1	44	-2.0	-98.77	371.38	0.67	-98.10
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	REAL300029811278	0	44	-2.0	-82.76	378.45	-0.99	-83.75
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCN1C(=O)[N-]NC1=O	REAL300029811828	0	45	-2.0	-99.72	383.68	-1.68	-101.40
CC(C)CN1[N-]C(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=CC1=O	REAL300029812025	0	51	-2.0	-106.53	418.12	2.08	-104.45
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1=NNC(=O)[N-]C1=O	REAL300029812119	0	43	-2.0	-96.88	372.17	-4.41	-101.29
CC(=O)[N-]C1=NC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=CS1	REAL300029812120	1	41	-2.0	-93.44	365.54	-0.89	-94.33
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300029812334	1	44	-2.0	-106.00	377.82	-0.20	-106.20
COC1=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)NC(=O)[N-]C1=O	REAL300029812479	1	42	-2.0	-95.99	361.51	-3.18	-99.17
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300029812630	0	37	-2.0	-98.04	327.83	-4.55	-102.59
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1C(=O)[N-]NC1=O	REAL300029812772	0	39	-2.0	-105.71	341.16	-2.88	-108.59
CC1=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=O)[N-]C(C(C)C)=N1	REAL300029812815	1	49	-2.0	-99.00	397.52	1.05	-97.95
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300029812953	0	43	-2.0	-100.75	375.39	0.07	-100.68
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1[N-]C(=O)C(F)(F)C(F)(F)C(F)F	REAL300029813850	0	37	-2.0	-94.30	340.51	0.75	-93.55
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300029813867	0	39	-2.0	-108.38	338.83	1.67	-106.71
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300029814074	0	39	-2.0	-90.75	339.48	-3.29	-94.04
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=COC(=O)[N-]1	REAL300029814090	1	35	-2.0	-91.58	311.45	-3.46	-95.04
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300029814153	1	47	-2.0	-98.38	387.24	1.23	-97.15
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1[N-]C(=O)C(F)(F)C(F)(F)F	REAL300029814241	0	34	-2.0	-91.32	315.73	0.06	-91.26
CCN1[N-]C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=CC1=O	REAL300029814374	0	42	-2.0	-95.62	360.73	0.23	-95.39
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=CC(=O)N[N-]1	REAL300029814385	1	39	-2.0	-103.68	336.15	-1.84	-105.52
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC(=S)N1[O-]	REAL300029814412	0	39	-2.0	-128.70	347.38	3.69	-125.01
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1SC(=O)[N-]C1=O	REAL300029814431	0	39	-2.0	-91.95	349.19	-3.31	-95.26
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300029814451	0	38	-2.0	-98.62	333.52	-2.19	-100.81
CC1=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=O)NC(C2CC2)=N1	REAL300029814583	0	47	-2.0	-99.67	387.71	1.27	-98.40
CC1=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=O)[N-]C(C2CC2)=N1	REAL300029814583	1	47	-2.0	-99.67	387.71	1.27	-98.40
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300029814599	0	37	-2.0	-85.28	320.50	-0.32	-85.60
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300029814643	0	41	-2.0	-106.16	355.38	0.18	-105.98
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300029814770	0	36	-2.0	-91.93	316.18	-2.42	-94.35
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300029814775	0	41	-2.0	-95.54	350.43	-0.99	-96.53
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CN([O-])C1=O	REAL300029814829	0	39	-2.0	-102.68	336.49	1.82	-100.86
CSC1=NC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=O)[N-]1	REAL300029814855	1	41	-2.0	-91.95	362.64	-0.35	-92.30
CC1=C([O-])N=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)S1	REAL300029814883	1	38	-2.0	-97.49	342.82	-2.35	-99.84
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029814907	1	38	-2.0	-88.74	346.40	0.87	-87.87
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300029814935	0	39	-2.0	-108.41	339.20	1.65	-106.76
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300029815010	0	39	-2.0	-125.42	336.27	2.65	-122.77
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N-]C(=O)C(F)(F)F	REAL300029815228	0	38	-2.0	-92.96	346.40	-2.59	-95.55
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=C([O-])N=C(N)S1	REAL300029815229	0	40	-2.0	-107.41	357.60	-3.43	-110.84
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=NC([O-])=CS1	REAL300029815308	0	38	-2.0	-110.71	341.93	-2.61	-113.32
CCC1=NC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=O)[N-]1	REAL300029815340	1	43	-2.0	-91.32	361.39	0.11	-91.21
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1N=CC(=O)[N-]C1=O	REAL300029815354	0	40	-2.0	-100.56	351.50	-3.99	-104.55
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C(Cl)C(=O)[N-]S1	REAL300029815454	0	35	-2.0	-92.48	333.75	-1.10	-93.58
COCC1=NC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=O)N1	REAL300029815594	0	44	-2.0	-92.26	374.33	-1.66	-93.92
COCC1=NC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=O)[N-]1	REAL300029815594	1	44	-2.0	-92.26	374.33	-1.66	-93.92
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN=C(CC2CC2)NC1=O	REAL300029815609	0	47	-2.0	-91.34	392.31	1.71	-89.63
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN=C(CC2CC2)[N-]C1=O	REAL300029815609	1	47	-2.0	-91.34	392.31	1.71	-89.63
CC1=CC(=O)C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=N[N-]1	REAL300029815717	0	40	-2.0	-96.95	344.97	1.36	-95.59
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NNC(=O)[N-]1	REAL300029815740	0	35	-2.0	-95.47	310.74	-3.87	-99.34
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029815770	0	40	-2.0	-90.30	353.44	0.61	-89.69
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029815770	1	40	-2.0	-90.30	353.44	0.61	-89.69
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN=C(C=N[O-])S1	REAL300029815933	0	38	-2.0	-102.12	351.63	-0.83	-102.95
COC1=NC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=CC(=O)[N-]1	REAL300029815954	0	41	-2.0	-96.25	356.97	-4.40	-100.65
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300029816219	0	39	-2.0	-99.21	338.22	-0.75	-99.96
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300029816229	1	42	-2.0	-113.38	360.92	-0.35	-113.73
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300029816233	0	39	-2.0	-98.26	352.46	-2.63	-100.89
CC1=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=S)[N-]C(=O)N1	REAL300029816234	1	41	-2.0	-96.17	367.52	-1.29	-97.46
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029816499	0	37	-2.0	-93.20	329.37	-5.46	-98.66
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029816499	1	37	-2.0	-93.16	329.25	-4.76	-97.92
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300029816599	0	41	-2.0	-99.14	362.37	-6.33	-105.47
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300029816599	1	41	-2.0	-95.85	362.29	-6.33	-102.18
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300029816778	0	41	-2.0	-106.02	357.27	-1.89	-107.91
C[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817023	1	38	-2.0	-101.59	327.49	1.57	-100.02
C[C@@H]1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817153	1	44	-2.0	-95.30	380.83	-0.11	-95.41
CC(=O)[N-]C1=NC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029817171	1	41	-2.0	-90.33	365.75	-0.32	-90.65
C[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817212	0	37	-2.0	-93.38	327.24	-4.21	-97.59
COC1=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029817282	1	42	-2.0	-96.57	358.56	-2.95	-99.52
C[C@@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817495	0	39	-2.0	-98.42	344.02	-2.83	-101.25
C[C@@H]1CN(C(=O)CN2[N-]C=C3C2=NC=NC3=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029817565	0	43	-2.0	-97.78	377.57	0.06	-97.72
C[C@@H]1CN(C(=O)CCCN2C(=O)[N-]NC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029818763	0	45	-2.0	-97.56	386.57	-1.60	-99.16
CC(C)CN1[N-]C(CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029818974	0	51	-2.0	-102.64	420.93	2.16	-100.48
C[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819034	1	44	-2.0	-112.33	381.18	0.33	-112.00
C[C@@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029819288	0	44	-2.0	-87.77	375.53	-0.29	-88.06
CC1=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C(C)C)=N1	REAL300029819843	1	49	-2.0	-97.47	408.65	0.79	-96.68
C[C@@H]1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820189	0	43	-2.0	-94.86	374.27	-4.33	-99.19
C[C@@H]1CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820199	0	41	-2.0	-94.51	356.06	2.51	-92.00
C[C@@H]1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820218	1	39	-2.0	-95.40	349.89	2.44	-92.96
C[C@@H]1CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820259	1	40	-2.0	-92.43	350.88	1.07	-91.36
C[C@@H]1CN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820296	0	41	-2.0	-112.05	360.70	0.57	-111.48
C[C@@H]1CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820368	0	41	-2.0	-98.65	359.18	3.41	-95.24
CCC1=NC=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029820407	1	43	-2.0	-107.63	370.51	-0.24	-107.87
C[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820437	1	35	-2.0	-94.52	310.99	-2.36	-96.88
C[C@@H]1CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820534	0	41	-2.0	-114.83	361.38	2.10	-112.73
C[C@@H]1CN(C(=O)C[N-]C(=O)C(F)(F)F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820554	0	38	-2.0	-94.69	348.47	-2.55	-97.24
C[C@@H]1CN(C(=O)CC2=C([O-])N=C(N)S2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820555	0	40	-2.0	-104.10	360.52	-3.23	-107.33
C[C@@H]1CN(C(=O)C2=C(F)C=C([O-])C=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820568	0	39	-2.0	-89.75	352.36	1.21	-88.54
C[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820601	1	39	-2.0	-100.27	337.80	0.78	-99.49
C[C@@H]1CN(C(=O)C2=CC([O-])=C3SC=CC3=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820612	1	42	-2.0	-102.28	366.86	2.08	-100.20
C[C@@H]1CN(C(=O)C2=CC([O-])=CC(=O)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820615	0	38	-2.0	-92.76	336.05	0.27	-92.49
C[C@@H]1CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820630	1	40	-2.0	-95.39	350.04	1.17	-94.22
C[C@@H]1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820636	0	38	-2.0	-91.54	345.01	0.46	-91.08
C[C@@H]1CN(C(=O)C2=C(N)[N-]C(=O)C(C#N)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820645	0	41	-2.0	-90.83	367.55	-1.81	-92.64
C[C@@H]1CN(C(=O)CN2N=CC(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820666	0	40	-2.0	-97.89	354.36	-3.95	-101.84
CC1=CC=C([O-])C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029820779	1	41	-2.0	-105.94	348.64	2.18	-103.76
C[C@@H]1CN(C(=O)CCC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820783	0	41	-2.0	-92.31	355.20	-2.11	-94.42
C[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820812	0	37	-2.0	-87.94	329.50	-0.47	-88.41
C[C@@H]1CN(C(=O)C2=CC=CC(F)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820827	0	39	-2.0	-115.17	338.35	2.13	-113.04
C[C@@H]1CN(C(=O)C2=CC=CC([O-])=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029820985	1	39	-2.0	-111.96	338.59	0.83	-111.13
C[C@@H]1CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821083	0	41	-2.0	-95.22	356.10	2.47	-92.75
C[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821162	0	36	-2.0	-95.68	315.08	-2.18	-97.86
C[C@@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821170	0	41	-2.0	-92.08	350.30	-0.89	-92.97
C[C@@H]1CN(C(=O)C(=O)C=C([O-])C2=CC=CC=N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821205	0	44	-2.0	-108.31	383.79	2.55	-105.76
C[C@@H]1CN(C(=O)C2=CN=C(CC3CC3)NC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821229	0	47	-2.0	-110.85	401.01	1.34	-109.51
C[C@@H]1CN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821229	1	47	-2.0	-110.85	401.01	1.34	-109.51
COCC1=NC=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029821255	0	44	-2.0	-107.37	383.44	-1.99	-109.36
COCC1=NC=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029821255	1	44	-2.0	-107.37	383.44	-1.99	-109.36
CC1=CC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300029821265	0	44	-2.0	-93.42	375.89	3.27	-90.15
C[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821331	0	39	-2.0	-108.22	346.26	1.67	-106.55
C[C@@H]1CN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821372	0	39	-2.0	-92.34	352.16	1.09	-91.25
C[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821374	0	35	-2.0	-94.13	310.78	-3.02	-97.15
C[C@@H]1CN(C(=O)C2=C(O)C=CC=C2Cl)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821379	0	39	-2.0	-103.90	355.34	1.58	-102.32
C[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2Cl)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821379	1	39	-2.0	-103.90	355.34	1.58	-102.32
C[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821389	0	39	-2.0	-106.11	345.99	1.60	-104.51
C[C@@H]1CN(C(=O)C2=C(F)C=CC(O)=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821438	0	39	-2.0	-109.21	351.75	1.06	-108.15
C[C@@H]1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821438	1	39	-2.0	-109.21	351.75	1.06	-108.15
C[C@@H]1CN(C(=O)CN2C=C(C#N)C(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821599	0	42	-2.0	-98.38	378.83	-1.58	-99.96
C[C@@H]1CN(C(=O)C2=CC(F)=CC=C2O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821685	0	39	-2.0	-95.39	339.58	1.99	-93.40
C[C@@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821685	1	39	-2.0	-95.39	339.58	1.99	-93.40
CC1=CC=NC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1O	REAL300029821801	0	41	-2.0	-105.14	347.38	2.28	-102.86
CC1=CC=NC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029821801	1	41	-2.0	-105.14	347.38	2.28	-102.86
C[C@@H]1CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029821870	0	39	-2.0	-95.97	355.53	2.50	-93.47
C[C@@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822011	1	38	-2.0	-95.31	325.09	-1.09	-96.40
C[C@@H]1CN(C(=O)C2=CC=CC(=S)N2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822027	0	39	-2.0	-137.47	356.39	1.98	-135.49
C[C@@H]1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822202	1	47	-2.0	-112.58	396.94	0.88	-111.70
C[C@@H]1CN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822221	1	41	-2.0	-97.90	358.59	-0.78	-98.68
C[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822226	0	38	-2.0	-89.75	345.79	0.40	-89.35
C[C@@H]1CN(C(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2N)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822304	0	43	-2.0	-99.21	371.83	0.83	-98.38
C[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2Cl)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822311	1	39	-2.0	-99.17	347.20	1.24	-97.93
C[C@@H]1CN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822314	0	42	-2.0	-104.17	365.92	0.37	-103.80
C[C@@H]1CN(C(=O)CC2=NC([O-])=CS2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822329	0	38	-2.0	-105.33	344.86	-2.48	-107.81
C[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822357	0	39	-2.0	-104.46	345.85	1.20	-103.26
C[C@@H]1CN(C(=O)CN2[N-]C(=O)C=CC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822361	0	41	-2.0	-101.53	360.12	-1.85	-103.38
C[C@@H]1CN(C(=O)C2=CC=C(F)C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822366	0	39	-2.0	-108.54	337.54	2.10	-106.44
CC1=CC=C(F)C([O-])=C1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029822426	0	42	-2.0	-111.92	365.26	1.76	-110.16
C[C@@H]1CN(C(=O)CC2SC(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822539	0	39	-2.0	-89.66	352.20	-3.19	-92.85
C[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822573	0	39	-2.0	-91.97	345.91	1.05	-90.92
C[C@@H]1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822577	1	40	-2.0	-87.50	361.87	-0.38	-87.88
C[C@@H]1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822584	0	39	-2.0	-109.53	348.15	2.60	-106.93
CC1=CC(=O)C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029822628	0	40	-2.0	-95.35	344.44	1.65	-93.70
C[C@@H]1CN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822633	0	44	-2.0	-105.40	376.82	1.30	-104.10
C[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822672	0	39	-2.0	-132.32	345.28	1.34	-130.98
C[C@@H]1CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822722	0	39	-2.0	-88.90	355.53	-0.65	-89.55
C[C@@H]1CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822723	0	41	-2.0	-94.74	366.07	-6.14	-100.88
C[C@@H]1CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822723	1	41	-2.0	-88.68	366.01	-6.08	-94.76
C[C@@H]1CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822755	0	41	-2.0	-89.31	358.64	2.42	-86.89
C[C@@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822805	0	38	-2.0	-101.75	332.69	-2.01	-103.76
C[C@@H]1CN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822852	0	41	-2.0	-90.97	361.97	-1.25	-92.22
C[C@@H]1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822899	1	40	-2.0	-111.90	356.12	-0.84	-112.74
C[C@@H]1CN(C(=O)C2=CC=C(C#N)C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822900	0	40	-2.0	-105.80	351.94	2.43	-103.37
C[C@@H]1CN(C(=O)C2=CC(C#N)=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029822914	0	40	-2.0	-93.54	354.00	2.37	-91.17
C[C@@H]1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823077	0	39	-2.0	-95.44	351.09	-0.96	-96.40
C[C@@H]1CN(C(=O)C2=CC=C(F)C(O)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823161	0	39	-2.0	-98.93	336.33	0.72	-98.21
C[C@@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823161	1	39	-2.0	-98.93	336.33	0.72	-98.21
C[C@@H]1CN(C(=O)C2=C(O)C3=NC=CC=C3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823171	0	44	-2.0	-107.36	374.08	2.45	-104.91
C[C@@H]1CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823171	1	44	-2.0	-107.36	374.08	2.45	-104.91
C[C@@H]1CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823175	0	41	-2.0	-105.38	359.29	2.70	-102.68
C[C@@H]1CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823179	0	41	-2.0	-97.94	360.33	2.74	-95.20
C[C@@H]1CN(C(=O)C2=CC=C(Cl)C=C2O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823193	0	39	-2.0	-108.39	347.87	2.55	-105.84
C[C@@H]1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823193	1	39	-2.0	-108.39	347.87	2.55	-105.84
C[C@@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823334	0	37	-2.0	-100.62	328.20	-4.63	-105.25
C[C@@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823334	1	37	-2.0	-93.60	328.81	-3.87	-97.47
C[C@@H]1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823384	0	41	-2.0	-102.44	352.34	-0.28	-102.72
C[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823433	1	44	-2.0	-110.37	372.26	3.94	-106.43
C[C@@H]1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823434	0	35	-2.0	-91.53	331.04	-1.26	-92.79
C[C@@H]1CN(C(=O)C2=CN=C(N)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823463	1	39	-2.0	-110.71	343.46	-1.93	-112.64
CC1=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029823506	0	42	-2.0	-92.93	365.19	1.04	-91.89
C[C@@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823535	0	39	-2.0	-96.84	345.86	1.02	-95.82
C[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823608	0	39	-2.0	-92.45	352.07	1.37	-91.08
C[C@@H]1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823617	1	40	-2.0	-90.27	360.89	0.58	-89.69
COC1=NC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029823624	0	41	-2.0	-93.01	354.62	-3.61	-96.62
C[C@@H]1CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823627	0	41	-2.0	-91.32	360.43	-0.40	-91.72
C[C@@H]1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823640	0	38	-2.0	-100.96	343.24	2.11	-98.85
C[C@@H]1CN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823647	1	42	-2.0	-96.80	376.91	2.45	-94.35
C[C@@H]1CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823699	0	39	-2.0	-95.33	346.13	1.23	-94.10
C[C@@H]1CN(C(=O)C2=CC=NC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823711	0	38	-2.0	-95.59	328.23	-0.11	-95.70
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823721	0	35	-2.0	-100.05	310.19	-2.03	-102.08
CC1=C([O-])N=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029823772	1	38	-2.0	-102.20	342.76	-1.54	-103.74
C[C@@H]1CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823834	1	45	-2.0	-102.16	384.75	3.36	-98.80
C[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823853	1	45	-2.0	-102.45	378.21	4.30	-98.15
C[C@@H]1CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823862	1	45	-2.0	-119.31	378.28	4.34	-114.97
C[C@@H]1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823921	1	41	-2.0	-91.38	353.47	1.01	-90.37
C[C@@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823961	0	38	-2.0	-100.97	348.68	-0.98	-101.95
C[C@@H]1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029823999	1	38	-2.0	-87.37	345.47	1.39	-85.98
CSC1=NC=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029824030	1	41	-2.0	-111.11	371.66	-0.71	-111.82
C[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824040	0	39	-2.0	-90.93	346.39	-3.24	-94.17
CCN1[N-]C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029824138	0	42	-2.0	-98.90	359.63	0.47	-98.43
C[C@@H]1CN(C(=O)CNC(=O)C2=NC=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824150	1	45	-2.0	-102.95	390.15	-0.35	-103.30
C[C@@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824164	0	39	-2.0	-97.94	337.82	-0.46	-98.40
C[C@@H]1CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824178	1	42	-2.0	-97.48	365.55	-1.05	-98.53
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824183	0	39	-2.0	-92.57	356.16	-2.46	-95.03
CC1=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029824185	1	41	-2.0	-96.12	367.54	-1.06	-97.18
CC1=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300029824196	1	47	-2.0	-98.14	398.83	0.99	-97.15
C[C@@H]1CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824263	1	44	-2.0	-107.18	379.39	1.46	-105.72
C[C@@H]1CN(C(=O)CC2=CC(=O)N[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824391	1	39	-2.0	-95.09	339.86	-1.64	-96.73
C[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824398	1	39	-2.0	-95.02	336.29	0.77	-94.25
C[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824472	0	39	-2.0	-97.47	342.51	0.80	-96.67
C[C@@H]1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824478	0	38	-2.0	-93.29	344.32	0.49	-92.80
CC1=C(CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029824503	0	45	-2.0	-108.02	382.65	0.68	-107.34
C[C@@H]1CN(C(=O)CCC(=O)C2=CC=C([O-])C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824515	1	47	-2.0	-95.42	401.36	2.48	-92.94
CC1=CN=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029824559	1	41	-2.0	-103.11	349.07	2.19	-100.92
C[C@@H]1CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824578	0	40	-2.0	-97.08	365.84	-1.22	-98.30
C[C@@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824604	0	36	-2.0	-104.70	322.65	-0.25	-104.95
C[C@@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824632	0	39	-2.0	-110.19	335.48	1.18	-109.01
C[C@@H]1CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029824640	0	39	-2.0	-91.65	355.96	2.34	-89.31
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300029824698	0	39	-2.0	-92.58	341.68	-0.77	-93.35
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029824738	1	40	-2.0	-83.62	352.81	-0.09	-83.71
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=NNC(=O)[N-]C1=O	REAL300029825602	0	46	-2.0	-92.88	383.03	-2.58	-95.46
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CN1C(=O)[N-]NC1=O	REAL300029825655	0	48	-2.0	-99.93	397.27	-0.91	-100.84
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=CN([O-])C(=O)C=C1	REAL300029826056	0	48	-2.0	-110.34	394.26	3.60	-106.74
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=CC(=O)NC([O-])=C1	REAL300029826138	0	48	-2.0	-87.58	395.04	-1.24	-88.82
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=COC(=O)[N-]1	REAL300029826149	1	44	-2.0	-89.15	366.76	-1.48	-90.63
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)[N-]C(=O)C(F)(F)C(F)(F)F	REAL300029826213	1	43	-2.0	-81.36	369.52	1.82	-79.54
CCN1[N-]C(C(=O)NC(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029826270	0	51	-2.0	-95.07	416.13	2.14	-92.93
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC1=CC(=O)N[N-]1	REAL300029826277	1	48	-2.0	-97.32	392.60	0.22	-97.10
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=NN(C)C(=O)[N-]1	REAL300029826300	0	47	-2.0	-98.33	388.84	-0.30	-98.63
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=C[N-]N=CC1=O	REAL300029826359	0	46	-2.0	-79.65	375.69	1.67	-77.98
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=CC(=O)N[N-]1	REAL300029826429	0	45	-2.0	-91.28	371.59	-0.50	-91.78
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300029826434	0	50	-2.0	-86.85	405.90	1.00	-85.85
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=CC=CN([O-])C1=O	REAL300029826458	0	48	-2.0	-97.84	391.79	3.71	-94.13
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=NC(=O)C(C)S1	REAL300029826479	0	47	-2.0	-94.82	398.13	-0.37	-95.19
CC1=C([O-])N=C(C(=O)NC(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300029826479	1	47	-2.0	-94.82	398.13	-0.37	-95.19
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=CC(=O)N([O-])C=C1	REAL300029826496	0	48	-2.0	-110.32	394.63	3.58	-106.74
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=CC=CC(=O)N1[O-]	REAL300029826521	0	48	-2.0	-120.16	392.15	4.63	-115.53
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)CC1=NC([O-])=CS1	REAL300029826636	0	47	-2.0	-107.44	398.45	-0.51	-107.95
CC1=CC(=O)C(C(=O)NC(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300029826794	0	49	-2.0	-95.69	400.31	3.28	-92.41
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=NC(=O)N[N-]1	REAL300029826804	0	44	-2.0	-89.97	366.18	-1.86	-91.83
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300029826990	0	48	-2.0	-94.17	394.40	1.21	-92.96
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029827087	0	46	-2.0	-84.76	385.24	-2.79	-87.55
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029827087	1	46	-2.0	-84.76	385.24	-2.79	-87.55
CC(CC1CCN(C(=O)C2=NC=CC=C2O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827439	0	47	-2.0	-105.69	384.51	3.48	-102.21
CC(CC1CCN(C(=O)C2=NC=CC=C2[O-])CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827439	1	47	-2.0	-105.69	384.51	3.48	-102.21
CC(CC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827538	0	46	-2.0	-94.29	383.01	-2.12	-96.41
CC(CC1CCN(C(=O)CN2C(=O)[N-]NC2=O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029827633	0	48	-2.0	-97.50	400.50	-0.67	-98.17
CC(CC1CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828490	1	49	-2.0	-89.34	409.47	3.28	-86.06
CC(CC1CCN(C(=O)C2=COC(=O)[N-]2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828558	1	44	-2.0	-87.69	366.40	0.14	-87.55
CC(CC1CCN(C(=O)C2=CC=C([O-])C=C2F)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828628	1	48	-2.0	-91.36	397.79	3.04	-88.32
CC(CC1CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828632	0	47	-2.0	-92.71	394.22	2.42	-90.29
CC(CC1CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828635	1	49	-2.0	-89.49	409.55	3.34	-86.15
CC1=CC=C([O-])C(C(=O)N2CCC(CC(C)NC(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300029828688	1	50	-2.0	-103.73	406.37	3.77	-99.96
CC(CC1CCN(C(=O)C2=C[N-]N=CC2=O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828699	0	46	-2.0	-88.62	377.27	1.40	-87.22
CC(CC1CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828706	0	48	-2.0	-104.61	393.76	4.32	-100.29
CC(CC1CCN(C(=O)C2=CC=CC([O-])=C2F)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828771	1	48	-2.0	-101.05	394.06	3.01	-98.04
CC(CC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828843	0	45	-2.0	-88.88	371.27	0.03	-88.85
CC(CC1CCN(C(=O)C(=O)[PH](C)(C)[O-])CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828848	0	50	-2.0	-88.61	406.34	1.38	-87.23
CC(CC1CCN(C(=O)CC2=CC(=O)N(C)[N-]2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828852	0	51	-2.0	-98.39	418.25	2.14	-96.25
CC(CC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828902	0	48	-2.0	-102.68	397.11	3.47	-99.21
CC(CC1CCN(C(=O)C2=NC(=O)N[N-]2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828919	0	44	-2.0	-87.58	366.03	-0.58	-88.16
CC(CC1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029828924	0	48	-2.0	-115.95	397.59	3.45	-112.50
CC(CC1CCN(C(=O)C2=NC(N)=CC(=O)[N-]2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829006	0	48	-2.0	-98.30	396.32	-0.42	-98.72
CC(CC1CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829037	1	48	-2.0	-99.07	395.25	4.25	-94.82
CC1=CC=NC(C(=O)N2CCC(CC(C)NC(=O)C3=CC(=O)[N-]O3)CC2)=C1[O-]	REAL300029829080	1	50	-2.0	-105.85	404.77	4.17	-101.68
CC(CC1CCN(C(=O)C2=CN=CC([O-])=C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829140	1	47	-2.0	-93.99	385.71	1.09	-92.90
CC(CC1CCN(C(=O)CC2=NC([O-])=CS2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829236	0	47	-2.0	-104.71	401.36	-0.31	-105.02
CC(CC1CCN(C(=O)C2=C([O-])C=CC=C2F)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829247	0	48	-2.0	-98.45	402.06	3.23	-95.22
CC(CC1CCN(C(=O)C2=CC=C(F)C=C2[O-])CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829248	0	48	-2.0	-100.27	397.63	3.89	-96.38
CC1=CC(=O)C(C(=O)N2CCC(CC(C)NC(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300029829345	0	49	-2.0	-95.69	399.96	3.81	-91.88
CC(CC1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829360	0	48	-2.0	-115.68	393.04	4.29	-111.39
CC(CC1CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829379	0	48	-2.0	-88.09	403.30	1.21	-86.88
CC(CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829407	0	47	-2.0	-95.54	389.34	0.14	-95.40
CC(CC1CCN(C(=O)C2=CC=C(C#N)C=C2[O-])CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829440	0	49	-2.0	-97.84	412.32	4.19	-93.65
CC(CC1CCN(C(=O)C2=CC(C#N)=CC=C2[O-])CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829446	0	49	-2.0	-95.54	412.32	4.21	-91.33
CC(CC1CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829538	1	48	-2.0	-94.48	397.24	2.99	-91.49
CC(CC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829590	0	46	-2.0	-88.89	386.13	-1.91	-90.80
CC(CC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829590	1	46	-2.0	-88.89	386.13	-1.91	-90.80
CC(CC1CCN(C(=O)C2=CN=C(N)NC2=O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829626	0	48	-2.0	-97.88	392.03	0.04	-97.84
CC(CC1CCN(C(=O)C2=CN=C(N)[N-]C2=O)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829626	1	48	-2.0	-97.88	392.03	0.04	-97.84
CC(CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829717	0	44	-2.0	-92.26	366.21	-0.01	-92.27
CC(CC1CCN(C(=O)C2=NC(=O)C(C)S2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829734	0	47	-2.0	-100.50	398.02	0.84	-99.66
CC1=C([O-])N=C(C(=O)N2CCC(CC(C)NC(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300029829734	1	47	-2.0	-100.50	398.02	0.84	-99.66
CC(CC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829836	0	48	-2.0	-89.95	402.79	-1.23	-91.18
CCN1[N-]C(C(=O)N2CCC(CC(C)NC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029829878	0	51	-2.0	-92.40	415.89	2.65	-89.75
CC(CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829894	0	48	-2.0	-91.65	394.08	1.73	-89.92
CC(CC1CCN(C(=O)CC2=CC(=O)N[N-]2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829980	1	48	-2.0	-99.22	395.50	0.41	-98.81
CC(CC1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029829984	1	48	-2.0	-92.26	396.69	2.99	-89.27
CC1=CN=C(C(=O)N2CCC(CC(C)NC(=O)C3=CC(=O)[N-]O3)CC2)C([O-])=C1	REAL300029830047	1	50	-2.0	-107.25	405.89	4.12	-103.13
CC(CC1CCN(C(=O)C2=CC([O-])=CS2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029830060	0	45	-2.0	-98.58	381.18	1.84	-96.74
CC(CC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1)NC(=O)C1=CC(=O)[N-]O1	REAL300029830072	0	48	-2.0	-102.38	399.17	3.57	-98.81
CC(C)(O)C1(CNC(=O)C2=NNC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830877	0	44	-2.0	-101.26	371.76	-5.66	-106.92
CC(C)(O)C1(CNC(=O)CN2C(=O)[N-]NC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029830927	0	46	-2.0	-102.58	385.97	-4.03	-106.61
CC(C)(O)C1(CNC(=O)C2=CN([O-])C(=O)C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831293	0	46	-2.0	-110.17	379.01	0.26	-109.91
CC(C)(O)C1(CNC(=O)C2=CC(=O)NC([O-])=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831368	0	46	-2.0	-108.03	379.64	-4.63	-112.66
CC(C)(O)C1(CNC(=O)C2=COC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831379	1	42	-2.0	-115.49	355.37	-4.59	-120.08
CCN1[N-]C(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029831488	0	49	-2.0	-107.66	404.79	-0.96	-108.62
CC(C)(O)C1(CNC(=O)CC2=CC(=O)N[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831495	1	46	-2.0	-100.99	381.07	-3.00	-103.99
CN1N=C(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029831516	0	45	-2.0	-107.31	377.52	-3.39	-110.70
CC(C)(O)C1(CNC(=O)C2=C[N-]N=CC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831570	0	44	-2.0	-102.72	354.00	-0.52	-103.24
CC(C)(O)C1(CNC(=O)C2=CC(=O)N[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831633	0	43	-2.0	-105.41	360.25	-3.60	-109.01
CC(C)(O)C1(CNC(=O)C(=O)[PH](C)(C)[O-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831638	0	48	-2.0	-102.22	394.29	-2.07	-104.29
CC(C)(O)C1(CNC(=O)CCC2=NC(=O)NN2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831658	0	48	-2.0	-118.75	396.29	-3.95	-122.70
CC(C)(O)C1(CNC(=O)CCC2=NC(=O)[N-]N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831658	1	48	-2.0	-118.75	396.29	-3.95	-122.70
CC(C)(O)C1(CNC(=O)C2=CC=CN([O-])C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831660	0	46	-2.0	-110.80	377.93	1.31	-109.49
CC1SC(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029831680	0	45	-2.0	-127.62	386.77	-3.47	-131.09
CC1=C([O-])N=C(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029831680	1	45	-2.0	-127.62	386.77	-3.47	-131.09
CC(C)(O)C1(CNC(=O)C2=CC(=O)N([O-])C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831696	0	46	-2.0	-113.03	378.41	0.19	-112.84
CC(C)(O)C1(CNC(=O)C2=CC=CC(=O)N2[O-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831720	0	46	-2.0	-114.38	377.37	1.33	-113.05
CC(C)(O)C1(CNC(=O)CC2=NC([O-])=CS2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831829	0	45	-2.0	-111.78	386.74	-3.69	-115.47
CC1=CC(=O)C(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029831977	0	47	-2.0	-110.24	391.16	0.07	-110.17
CC(C)(O)C1(CNC(=O)C2=NC(=O)N[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029831987	0	42	-2.0	-114.63	354.84	-4.90	-119.53
CN1[N-]C(C(=O)NCC2(C(C)(C)O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029832160	0	46	-2.0	-107.39	385.22	-2.02	-109.41
CC(C)(O)C1(CNC(=O)C2=NC(=O)[N-]C(=O)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029832248	0	44	-2.0	-107.63	373.79	-5.88	-113.51
CC(C)(O)C1(CNC(=O)C2=NC(=O)NC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029832248	1	44	-2.0	-107.63	373.79	-5.88	-113.51
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=CC=C2O)C1	REAL300029832598	0	45	-2.0	-122.86	371.65	0.14	-122.72
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300029832598	1	45	-2.0	-122.86	371.65	0.14	-122.72
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300029832691	0	44	-2.0	-115.67	371.23	-5.50	-121.17
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300029832781	0	46	-2.0	-118.43	378.00	-2.25	-120.68
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300029833625	1	42	-2.0	-106.49	357.31	-4.18	-110.67
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300029833692	1	46	-2.0	-112.55	381.74	-0.27	-112.82
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300029833695	0	45	-2.0	-107.88	380.13	-0.88	-108.76
CC1=CC=C([O-])C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)=N1	REAL300029833745	1	48	-2.0	-125.83	393.39	0.74	-125.09
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300029833746	1	48	-2.0	-112.95	398.29	-3.82	-116.77
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300029833755	0	44	-2.0	-112.53	363.24	-0.71	-113.24
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300029833762	0	46	-2.0	-132.27	381.34	1.25	-131.02
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300029833820	1	46	-2.0	-132.25	381.65	-0.28	-132.53
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300029833890	0	43	-2.0	-110.52	362.26	-3.54	-114.06
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300029833895	0	48	-2.0	-101.74	383.49	-1.79	-103.53
CN1[N-]C(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)=CC1=O	REAL300029833899	0	49	-2.0	-117.40	405.76	-1.12	-118.52
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300029833943	0	46	-2.0	-125.93	380.97	0.13	-125.80
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300029833959	0	42	-2.0	-104.48	354.69	-4.45	-108.93
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300029833964	0	46	-2.0	-148.01	378.86	1.22	-146.79
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1	REAL300029834039	0	46	-2.0	-122.66	383.93	-3.89	-126.55
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300029834066	1	46	-2.0	-121.96	383.71	1.13	-120.83
CC1=CC=NC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)=C1[O-]	REAL300029834108	1	48	-2.0	-125.64	394.13	0.70	-124.94
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300029834164	1	45	-2.0	-101.82	370.01	-2.20	-104.02
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300029834249	0	45	-2.0	-140.89	388.82	-3.60	-144.49
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300029834260	0	46	-2.0	-98.02	388.40	-0.26	-98.28
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300029834261	0	46	-2.0	-125.57	381.50	1.25	-124.32
CC1=CC(=O)C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)=N[N-]1	REAL300029834348	0	47	-2.0	-113.07	388.39	0.36	-112.71
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300029834363	0	46	-2.0	-150.55	378.17	1.18	-149.37
CN1N=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)[N-]C1=O	REAL300029834407	0	45	-2.0	-117.35	377.45	-3.27	-120.62
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300029834526	1	46	-2.0	-126.24	381.22	-0.36	-126.60
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300029834573	0	44	-2.0	-105.76	375.56	-5.55	-111.31
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300029834573	1	44	-2.0	-105.76	375.56	-5.55	-111.31
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(N)NC2=O)C1	REAL300029834608	0	46	-2.0	-107.34	384.67	-3.11	-110.45
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300029834608	1	46	-2.0	-107.34	384.67	-3.11	-110.45
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029834695	0	42	-2.0	-112.41	354.99	-3.13	-115.54
CC1SC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)=NC1=O	REAL300029834710	0	45	-2.0	-106.27	386.60	-3.03	-109.30
CC1=C([O-])N=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)S1	REAL300029834710	1	45	-2.0	-106.27	386.60	-3.03	-109.30
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300029834806	0	46	-2.0	-104.98	381.10	-4.76	-109.74
CCN1[N-]C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)=CC1=O	REAL300029834847	0	49	-2.0	-115.71	404.75	-0.80	-116.51
CN1[N-]C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)=CC1=O	REAL300029834863	0	46	-2.0	-113.63	382.96	-1.71	-115.34
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300029834941	1	46	-2.0	-115.19	383.06	-2.85	-118.04
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300029834945	1	46	-2.0	-112.60	381.18	-0.33	-112.93
CC1=CN=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)O)C2)C([O-])=C1	REAL300029835006	1	48	-2.0	-125.73	393.08	0.79	-124.94
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300029835019	0	43	-2.0	-120.47	367.19	-1.32	-121.79
CC(C)(O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300029835030	0	46	-2.0	-128.93	380.75	0.12	-128.81
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300029835939	0	44	-2.0	-93.54	372.91	-1.80	-95.34
O=C(CN1C(=O)[N-]NC1=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836000	0	46	-2.0	-99.71	390.32	-0.33	-100.04
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CN([O-])C(=O)C=C3)C2)C1	REAL300029836428	0	46	-2.0	-102.24	391.82	4.03	-98.21
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300029836516	0	46	-2.0	-86.99	392.34	-0.88	-87.87
O=C(C1=COC(=O)[N-]1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836527	1	42	-2.0	-88.48	356.79	0.01	-88.47
CCN1[N-]C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029836651	0	49	-2.0	-95.22	406.17	2.88	-92.34
O=C(CC1=CC(=O)N[N-]1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836658	1	46	-2.0	-96.93	385.53	0.76	-96.17
CN1N=C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300029836685	0	45	-2.0	-95.22	378.80	0.41	-94.81
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300029836748	0	44	-2.0	-91.68	375.04	1.89	-89.79
O=C(C1=CC(=O)N[N-]1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836819	0	43	-2.0	-91.45	361.62	0.24	-91.21
C[PH](C)([O-])C(=O)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836824	0	48	-2.0	-88.34	400.15	1.38	-86.96
O=C(CCC1=NC(=O)NN1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836846	0	48	-2.0	-97.56	400.82	-0.20	-97.76
O=C(CCC1=NC(=O)[N-]N1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029836846	1	48	-2.0	-97.56	400.82	-0.20	-97.76
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC=CN([O-])C3=O)C2)C1	REAL300029836849	0	46	-2.0	-116.96	391.36	4.02	-112.94
CC1=C([O-])N=C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300029836870	1	45	-2.0	-94.72	388.30	0.83	-93.89
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC(=O)N([O-])C=C3)C2)C1	REAL300029836888	0	46	-2.0	-102.83	391.97	4.03	-98.80
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC=CC(=O)N3[O-])C2)C1	REAL300029836913	0	46	-2.0	-112.44	390.96	3.83	-108.61
O=C(CC1=NC([O-])=CS1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029837032	0	45	-2.0	-107.44	391.38	0.03	-107.41
CC1=CC(=O)C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N[N-]1	REAL300029837202	0	47	-2.0	-92.87	390.10	4.06	-88.81
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300029837213	0	42	-2.0	-90.07	356.40	-0.59	-90.66
CN1[N-]C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029837414	0	46	-2.0	-91.24	384.37	1.96	-89.28
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300029837520	0	44	-2.0	-87.24	374.87	-1.50	-88.74
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1	REAL300029837520	1	44	-2.0	-87.24	374.87	-1.50	-88.74
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300029837875	1	45	-2.0	-101.85	373.02	3.94	-97.91
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300029837978	0	44	-2.0	-93.54	372.91	-1.80	-95.34
O=C(CN1C(=O)[N-]NC1=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029838086	0	46	-2.0	-99.71	390.32	-0.33	-100.04
N#CC1=CC([O-])=CC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029839022	1	47	-2.0	-96.36	396.40	3.49	-92.87
O=C(C1=COC(=O)[N-]1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839092	1	42	-2.0	-88.48	356.79	0.01	-88.47
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC=C([O-])C=C3F)C2)C1	REAL300029839165	1	46	-2.0	-94.53	385.79	3.34	-91.19
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC([O-])=CC(=O)O3)C2)C1	REAL300029839170	0	45	-2.0	-90.36	381.68	2.68	-87.68
N#CC1=CC=C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1[O-]	REAL300029839173	1	47	-2.0	-89.58	395.97	3.55	-86.03
CC1=CC=C([O-])C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300029839232	1	48	-2.0	-108.00	394.87	4.52	-103.48
O=C(CCC1=NC(=O)[N-]N1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839233	1	48	-2.0	-97.56	400.82	-0.20	-97.76
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300029839244	0	44	-2.0	-91.68	375.04	1.89	-89.79
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC=CC(F)=C3[O-])C2)C1	REAL300029839251	0	46	-2.0	-111.24	385.18	4.39	-106.85
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC=CC([O-])=C3F)C2)C1	REAL300029839323	1	46	-2.0	-106.64	385.44	3.34	-103.30
O=C(C1=CC(=O)N[N-]1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839398	0	43	-2.0	-91.45	361.62	0.24	-91.21
C[PH](C)([O-])C(=O)C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839404	0	48	-2.0	-88.34	400.15	1.38	-86.96
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC(=O)N([O-])C=C3)C2)C1	REAL300029839463	0	46	-2.0	-102.83	391.97	4.03	-98.80
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300029839480	0	42	-2.0	-90.07	356.40	-0.59	-90.66
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC=CN([O-])C3=O)C2)C1	REAL300029839485	0	46	-2.0	-116.96	391.36	4.02	-112.94
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC(F)=CC=C3O)C2)C1	REAL300029839605	0	46	-2.0	-96.93	385.11	4.34	-92.59
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC(F)=CC=C3[O-])C2)C1	REAL300029839605	1	46	-2.0	-96.93	385.11	4.34	-92.59
CC1=CC=NC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1O	REAL300029839652	0	48	-2.0	-107.24	393.51	4.63	-102.61
CC1=CC=NC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1[O-]	REAL300029839652	1	48	-2.0	-107.24	393.51	4.63	-102.61
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CN=CC(O)=C3)C2)C1	REAL300029839720	0	45	-2.0	-89.17	370.59	1.34	-87.83
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CN=CC([O-])=C3)C2)C1	REAL300029839720	1	45	-2.0	-89.17	370.59	1.34	-87.83
O=C(CC1=NC([O-])=CS1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029839822	0	45	-2.0	-107.44	391.38	0.03	-107.41
CC1=CC(=O)C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N[N-]1	REAL300029839945	0	47	-2.0	-92.87	390.10	4.06	-88.81
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC=CC(=O)N3[O-])C2)C1	REAL300029839963	0	46	-2.0	-112.44	390.96	3.83	-108.61
N#CC1=CC=C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300029839983	0	46	-2.0	-96.38	400.98	1.72	-94.66
CN1N=C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300029840013	0	45	-2.0	-95.22	378.80	0.41	-94.81
N#CC1=CC=C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C([O-])=C1	REAL300029840048	0	47	-2.0	-102.94	399.99	4.54	-98.40
N#CC1=CC=C([O-])C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300029840054	0	47	-2.0	-94.11	399.55	4.71	-89.40
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC=C(F)C([O-])=C3)C2)C1	REAL300029840152	1	46	-2.0	-106.57	382.04	3.16	-103.41
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300029840210	0	44	-2.0	-87.24	374.87	-1.50	-88.74
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1	REAL300029840210	1	44	-2.0	-87.24	374.87	-1.50	-88.74
NC1=NC=C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N1	REAL300029840250	0	46	-2.0	-100.99	389.65	0.58	-100.41
NC1=NC=C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300029840250	1	46	-2.0	-100.99	389.65	0.58	-100.41
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840347	0	42	-2.0	-92.20	356.72	0.45	-91.75
CC1SC(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NC1=O	REAL300029840364	0	45	-2.0	-94.72	388.30	0.83	-93.89
CC1=C([O-])N=C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300029840364	1	45	-2.0	-94.72	388.30	0.83	-93.89
O=C(C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=C(O)C=C1	REAL300029840443	0	48	-2.0	-90.42	399.17	3.46	-86.96
O=C(C(=O)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=C([O-])C=C1	REAL300029840443	1	48	-2.0	-90.42	399.17	3.46	-86.96
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300029840481	0	46	-2.0	-86.99	392.34	-0.88	-87.87
CCN1[N-]C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029840526	0	49	-2.0	-95.22	406.17	2.88	-92.34
CN1[N-]C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300029840542	0	46	-2.0	-91.24	384.37	1.96	-89.28
O=C(CC1=CC(=O)NN1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840632	0	46	-2.0	-96.93	385.53	0.76	-96.17
O=C(CC1=CC(=O)N[N-]1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300029840632	1	46	-2.0	-96.93	385.53	0.76	-96.17
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC=C(O)C(F)=C3)C2)C1	REAL300029840636	0	46	-2.0	-97.96	382.00	3.20	-94.76
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)C2)C1	REAL300029840636	1	46	-2.0	-97.96	382.00	3.20	-94.76
CC1=CN=C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(O)=C1	REAL300029840705	0	48	-2.0	-103.30	394.46	4.58	-98.72
CC1=CN=C(C(=O)N2CCC(C3CCN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C([O-])=C1	REAL300029840705	1	48	-2.0	-103.30	394.46	4.58	-98.72
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC([O-])=CS3)C2)C1	REAL300029840718	0	43	-2.0	-99.32	367.97	2.20	-97.12
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CN([O-])C(=O)C=C3)C2)C1	REAL300029840731	0	46	-2.0	-102.24	391.82	4.03	-98.21
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=NNC(=O)[N-]C1=O	REAL300029841650	0	44	-2.0	-91.43	366.40	-2.73	-94.16
O=C(CN1C(=O)[N-]NC1=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029841711	0	46	-2.0	-92.24	380.53	-1.06	-93.30
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CN([O-])C(=O)C=C1	REAL300029842139	0	46	-2.0	-103.88	377.35	3.36	-100.52
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC(=O)NC([O-])=C1	REAL300029842227	0	46	-2.0	-91.33	377.85	-1.51	-92.84
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=COC(=O)[N-]1	REAL300029842238	1	42	-2.0	-95.60	349.92	-1.67	-97.27
O=C([N-]C1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C(F)(F)C(F)(F)F	REAL300029842304	1	41	-2.0	-81.98	358.20	1.15	-80.83
CCN1[N-]C(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=CC1=O	REAL300029842362	0	49	-2.0	-94.80	399.28	1.94	-92.86
O=C(CC1=CC(=O)N[N-]1)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842369	1	46	-2.0	-95.98	375.42	-0.07	-96.05
CN1N=C(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)[N-]C1=O	REAL300029842396	0	45	-2.0	-97.26	372.06	-0.51	-97.77
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=C[N-]N=CC1=O	REAL300029842459	0	44	-2.0	-82.45	364.13	1.02	-81.43
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC(=O)N[N-]1	REAL300029842530	0	43	-2.0	-91.78	354.75	-0.68	-92.46
C[PH](C)([O-])C(=O)C(=O)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842535	0	48	-2.0	-86.60	393.62	0.18	-86.42
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=CN([O-])C1=O	REAL300029842560	0	46	-2.0	-101.78	380.07	3.08	-98.70
CC1SC(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=NC1=O	REAL300029842581	0	45	-2.0	-98.61	381.62	-0.55	-99.16
CC1=C([O-])N=C(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)S1	REAL300029842581	1	45	-2.0	-98.61	381.62	-0.55	-99.16
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC(=O)N([O-])C=C1	REAL300029842599	0	46	-2.0	-105.19	377.74	3.36	-101.83
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=CC(=O)N1[O-]	REAL300029842624	0	46	-2.0	-115.19	374.80	4.35	-110.84
O=C(CC1=NC([O-])=CS1)NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300029842743	0	45	-2.0	-103.94	381.91	-0.71	-104.65
CC1=CC(=O)C(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=N[N-]1	REAL300029842913	0	47	-2.0	-91.97	383.57	3.12	-88.85
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=NC(=O)N[N-]1	REAL300029842924	0	42	-2.0	-94.86	349.33	-2.01	-96.87
CN1[N-]C(C(=O)NC2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=CC1=O	REAL300029843125	0	46	-2.0	-94.08	377.47	1.00	-93.08
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=NC(=O)[N-]C(=O)N1	REAL300029843231	0	44	-2.0	-86.63	368.61	-2.95	-89.58
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=NC(=O)NC(=O)[N-]1	REAL300029843231	1	44	-2.0	-86.63	368.61	-2.95	-89.58
O=C(NC1CCCC2CN(C(=O)C3=NC=CC=C3O)CC21)C1=CC(=O)[N-]O1	REAL300029843586	0	45	-2.0	-110.29	366.33	3.35	-106.94
O=C(NC1CCCC2CN(C(=O)C3=NC=CC=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029843586	1	45	-2.0	-110.29	366.33	3.35	-106.94
O=C(NC1CCCC2CN(C(=O)C3=NNC(=O)[N-]C3=O)CC21)C1=CC(=O)[N-]O1	REAL300029843689	0	44	-2.0	-95.69	366.19	-2.43	-98.12
O=C(CN1C(=O)[N-]NC1=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029843797	0	46	-2.0	-106.24	380.98	-0.93	-107.17
N#CC1=CC([O-])=CC(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C1	REAL300029844733	1	47	-2.0	-85.32	398.47	2.47	-82.85
O=C(NC1CCCC2CN(C(=O)C3=COC(=O)[N-]3)CC21)C1=CC(=O)[N-]O1	REAL300029844803	1	42	-2.0	-91.36	349.64	-0.45	-91.81
O=C(NC1CCCC2CN(C(=O)C3=CC=C([O-])C=C3F)CC21)C1=CC(=O)[N-]O1	REAL300029844876	1	46	-2.0	-94.53	378.76	2.73	-91.80
O=C(NC1CCCC2CN(C(=O)C3=CC([O-])=CC(=O)O3)CC21)C1=CC(=O)[N-]O1	REAL300029844881	0	45	-2.0	-89.03	375.16	2.10	-86.93
N#CC1=CC=C(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C=C1[O-]	REAL300029844884	1	47	-2.0	-100.05	392.31	3.06	-96.99
CC1=CC=C([O-])C(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=N1	REAL300029844943	1	48	-2.0	-106.81	387.75	3.91	-102.90
O=C(CCC1=NC(=O)[N-]N1)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029844944	1	48	-2.0	-97.41	399.53	-1.33	-98.74
O=C(NC1CCCC2CN(C(=O)C3=C[N-]N=CC3=O)CC21)C1=CC(=O)[N-]O1	REAL300029844955	0	44	-2.0	-93.40	368.56	1.30	-92.10
O=C(NC1CCCC2CN(C(=O)C3=CC=CC(F)=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029844962	0	46	-2.0	-114.30	378.37	3.84	-110.46
O=C(NC1CCCC2CN(C(=O)C3=CC=CC([O-])=C3F)CC21)C1=CC(=O)[N-]O1	REAL300029845034	1	46	-2.0	-108.68	378.63	2.73	-105.95
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)N[N-]3)CC21)C1=CC(=O)[N-]O1	REAL300029845109	0	43	-2.0	-93.52	354.48	-0.36	-93.88
C[PH](C)([O-])C(=O)C(=O)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845115	0	48	-2.0	-91.41	387.52	0.74	-90.67
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)N([O-])C=C3)CC21)C1=CC(=O)[N-]O1	REAL300029845174	0	46	-2.0	-104.34	384.80	3.42	-100.92
O=C(NC1CCCC2CN(C(=O)C3=NC(=O)N[N-]3)CC21)C1=CC(=O)[N-]O1	REAL300029845191	0	42	-2.0	-92.15	349.21	-1.11	-93.26
O=C(NC1CCCC2CN(C(=O)C3=CC=CN([O-])C3=O)CC21)C1=CC(=O)[N-]O1	REAL300029845196	0	46	-2.0	-113.02	390.20	2.92	-110.10
O=C(NC1CCCC2CN(C(=O)C3=CC(F)=CC=C3O)CC21)C1=CC(=O)[N-]O1	REAL300029845316	0	46	-2.0	-103.80	378.39	3.89	-99.91
O=C(NC1CCCC2CN(C(=O)C3=CC(F)=CC=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029845316	1	46	-2.0	-103.80	378.39	3.89	-99.91
CC1=CC=NC(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C1O	REAL300029845363	0	48	-2.0	-109.99	386.72	4.08	-105.91
CC1=CC=NC(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C1[O-]	REAL300029845363	1	48	-2.0	-109.99	386.72	4.08	-105.91
O=C(NC1CCCC2CN(C(=O)C3=CN=CC(O)=C3)CC21)C1=CC(=O)[N-]O1	REAL300029845431	0	45	-2.0	-101.08	366.04	0.66	-100.42
O=C(NC1CCCC2CN(C(=O)C3=CN=CC([O-])=C3)CC21)C1=CC(=O)[N-]O1	REAL300029845431	1	45	-2.0	-101.08	366.04	0.66	-100.42
O=C(CC1=NC([O-])=CS1)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029845533	0	45	-2.0	-113.23	381.82	-0.60	-113.83
CC1=CC(=O)C(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=N[N-]1	REAL300029845656	0	47	-2.0	-95.91	383.38	3.44	-92.47
O=C(NC1CCCC2CN(C(=O)C3=CC=CC(=O)N3[O-])CC21)C1=CC(=O)[N-]O1	REAL300029845674	0	46	-2.0	-123.45	384.64	3.22	-120.23
N#CC1=CC=C(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C(=O)[N-]1	REAL300029845694	0	46	-2.0	-92.55	394.73	1.08	-91.47
CN1N=C(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)[N-]C1=O	REAL300029845724	0	45	-2.0	-96.79	371.94	-0.19	-96.98
N#CC1=CC=C([O-])C(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C1	REAL300029845765	0	47	-2.0	-104.80	392.22	4.30	-100.50
O=C(NC1CCCC2CN(C(=O)C3=CC=C(F)C([O-])=C3)CC21)C1=CC(=O)[N-]O1	REAL300029845863	1	46	-2.0	-93.50	377.24	2.57	-90.93
O=C(NC1CCCC2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)CC21)C1=CC(=O)[N-]O1	REAL300029845921	0	44	-2.0	-89.08	367.91	-2.01	-91.09
O=C(NC1CCCC2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)CC21)C1=CC(=O)[N-]O1	REAL300029845921	1	44	-2.0	-89.08	367.91	-2.01	-91.09
NC1=NC=C(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C(=O)N1	REAL300029845961	0	46	-2.0	-103.95	383.03	-0.02	-103.97
NC1=NC=C(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C(=O)[N-]1	REAL300029845961	1	46	-2.0	-103.95	383.03	-0.02	-103.97
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC(=O)[N-]O1	REAL300029846058	0	42	-2.0	-92.87	349.59	-0.18	-93.05
CC1SC(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=NC1=O	REAL300029846075	0	45	-2.0	-94.81	382.07	0.21	-94.60
CC1=C([O-])N=C(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)S1	REAL300029846075	1	45	-2.0	-94.81	382.07	0.21	-94.60
O=C(NC1CCCC2CN(C(=O)C(=O)C3=CC=C(O)C=C3)CC21)C1=CC(=O)[N-]O1	REAL300029846154	0	48	-2.0	-91.76	397.95	2.34	-89.42
O=C(NC1CCCC2CN(C(=O)C(=O)C3=CC=C([O-])C=C3)CC21)C1=CC(=O)[N-]O1	REAL300029846154	1	48	-2.0	-91.76	397.95	2.34	-89.42
O=C(NC1CCCC2CN(C(=O)C3=CC(=O)NC([O-])=C3)CC21)C1=CC(=O)[N-]O1	REAL300029846192	0	46	-2.0	-88.43	384.89	-1.50	-89.93
CCN1[N-]C(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=CC1=O	REAL300029846237	0	49	-2.0	-94.05	399.69	2.30	-91.75
CN1[N-]C(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=CC1=O	REAL300029846253	0	46	-2.0	-93.14	377.88	1.36	-91.78
O=C(CC1=CC(=O)NN1)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846343	0	46	-2.0	-103.60	378.42	0.10	-103.50
O=C(CC1=CC(=O)N[N-]1)N1CC2CCCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300029846343	1	46	-2.0	-103.60	378.42	0.10	-103.50
O=C(NC1CCCC2CN(C(=O)C3=CC=C(O)C(F)=C3)CC21)C1=CC(=O)[N-]O1	REAL300029846347	0	46	-2.0	-99.17	377.20	2.59	-96.58
O=C(NC1CCCC2CN(C(=O)C3=CC=C([O-])C(F)=C3)CC21)C1=CC(=O)[N-]O1	REAL300029846347	1	46	-2.0	-99.17	377.20	2.59	-96.58
CC1=CN=C(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C(O)=C1	REAL300029846416	0	48	-2.0	-107.37	387.59	3.96	-103.41
CC1=CN=C(C(=O)N2CC3CCCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C([O-])=C1	REAL300029846416	1	48	-2.0	-107.37	387.59	3.96	-103.41
O=C(NC1CCCC2CN(C(=O)C3=CC([O-])=CS3)CC21)C1=CC(=O)[N-]O1	REAL300029846429	0	43	-2.0	-100.84	361.51	1.61	-99.23
O=C(NC1CCCC2CN(C(=O)C3=CN([O-])C(=O)C=C3)CC21)C1=CC(=O)[N-]O1	REAL300029846442	0	46	-2.0	-105.41	385.63	3.41	-102.00
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300029847777	0	43	-2.0	-91.29	361.08	-3.61	-94.90
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CN1C(=O)[N-]NC1=O	REAL300029847873	0	45	-2.0	-91.82	375.20	-1.95	-93.77
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300029848526	0	45	-2.0	-101.57	365.82	2.19	-99.38
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300029848648	0	45	-2.0	-89.38	366.29	-2.73	-92.11
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=COC(=O)[N-]1	REAL300029848659	1	41	-2.0	-93.60	338.36	-2.89	-96.49
CCN1[N-]C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)=CC1=O	REAL300029848837	0	48	-2.0	-92.30	387.75	0.74	-91.56
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1=CC(=O)N[N-]1	REAL300029848845	1	45	-2.0	-93.81	370.19	-0.91	-94.72
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC=CC(=S)N1[O-]	REAL300029848864	0	45	-2.0	-114.40	380.82	4.55	-109.85
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1SC(=O)[N-]C1=O	REAL300029848874	0	45	-2.0	-86.58	383.31	-2.39	-88.97
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=NN(C)C(=O)[N-]1	REAL300029848890	0	44	-2.0	-94.63	366.77	-1.34	-95.97
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=C[N-]N=CC1=O	REAL300029848982	0	43	-2.0	-86.22	353.49	0.50	-85.72
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC(=O)N[N-]1	REAL300029849092	0	42	-2.0	-89.36	343.20	-1.91	-91.27
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C(=O)[PH](C)(C)[O-]	REAL300029849097	0	47	-2.0	-87.89	377.37	-0.38	-88.27
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCC1=NC(=O)NN1	REAL300029849126	0	47	-2.0	-100.34	385.45	-1.87	-102.21
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CCC1=NC(=O)[N-]N1	REAL300029849126	1	47	-2.0	-100.34	385.45	-1.87	-102.21
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC=CN([O-])C1=O	REAL300029849131	0	45	-2.0	-110.88	363.72	2.44	-108.44
CC1SC(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)=NC1=O	REAL300029849162	0	44	-2.0	-101.63	369.73	-1.77	-103.40
CC1=C([O-])N=C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)S1	REAL300029849162	1	44	-2.0	-101.63	369.73	-1.77	-103.40
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC(=O)C=C(Cl)N1	REAL300029849176	0	44	-2.0	-86.01	379.68	1.75	-84.26
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029849176	1	44	-2.0	-86.01	379.68	1.75	-84.26
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300029849195	0	45	-2.0	-102.73	372.53	2.52	-100.21
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300029849234	0	45	-2.0	-112.50	369.70	3.52	-108.98
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1=C([O-])N=C(N)S1	REAL300029849365	0	46	-2.0	-105.89	390.86	-2.49	-108.38
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CC1=NC([O-])=CS1	REAL300029849413	0	44	-2.0	-104.08	376.04	-1.62	-105.70
CCC1=NC=C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C(=O)N1	REAL300029849431	0	49	-2.0	-94.92	394.32	0.85	-94.07
CCC1=NC=C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C(=O)[N-]1	REAL300029849431	1	49	-2.0	-94.92	394.32	0.85	-94.07
CC1=CC(=O)C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C)=N[N-]1	REAL300029849661	0	46	-2.0	-93.01	378.24	2.26	-90.75
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=NNC(=O)[N-]1	REAL300029849677	0	41	-2.0	-92.12	344.01	-3.00	-95.12
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CN=C(C=N[O-])S1	REAL300029849799	0	44	-2.0	-99.71	378.84	-0.20	-99.91
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC(=O)N(C)[N-]1	REAL300029849978	0	45	-2.0	-91.62	366.00	-0.19	-91.81
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300029849985	0	45	-2.0	-91.51	380.17	-2.06	-93.57
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029850152	0	43	-2.0	-95.91	362.65	-4.59	-100.50
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029850152	1	43	-2.0	-88.28	356.96	-4.19	-92.47
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)CN1[N-]C(=O)C=CC1=O	REAL300029850311	0	47	-2.0	-92.71	391.31	-0.95	-93.66
CC1CCN(C(=O)C2=NC=CC=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029850564	1	44	-2.0	-108.67	357.96	1.70	-106.97
CC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029850695	0	43	-2.0	-98.03	361.06	-3.34	-101.37
CC1CCN(C(=O)CN2C(=O)[N-]NC2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029850875	0	45	-2.0	-100.74	372.00	-2.07	-102.81
CC1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852364	1	45	-2.0	-104.08	379.97	2.41	-101.67
CC1CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852390	1	46	-2.0	-86.32	383.08	1.87	-84.45
CCC1=NC=C(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029852482	1	49	-2.0	-101.55	403.72	0.68	-100.87
CC1CCN(C(=O)C2=COC(=O)[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852501	1	41	-2.0	-86.78	338.15	-1.32	-88.10
CC1CCN(C(=O)C[N-]C(=O)C(F)(F)F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852572	0	44	-2.0	-91.79	376.41	-1.78	-93.57
CC1CCN(C(=O)CC2=C([O-])N=C(N)S2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852573	0	46	-2.0	-112.05	387.64	-2.57	-114.62
CC1CCN(C(=O)C2=C(F)C=C([O-])C=C2F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852583	0	45	-2.0	-88.88	380.03	1.84	-87.04
CC1CCN(C(=O)C2=CC=C([O-])C=C2F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852599	1	45	-2.0	-94.38	376.00	1.89	-92.49
CC1CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852605	0	44	-2.0	-90.33	371.80	1.28	-89.05
CC1CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852613	1	46	-2.0	-88.83	390.10	2.24	-86.59
CC1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852616	0	44	-2.0	-100.33	378.76	1.56	-98.77
CC1CCN(C(=O)CN2N=CC(=O)[N-]C2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852634	0	46	-2.0	-104.51	382.33	-3.19	-107.70
CC1=CC=C([O-])C(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029852699	1	47	-2.0	-109.72	379.57	2.28	-107.44
CC1CCN(C(=O)C2=C[N-]N=CC2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852720	0	43	-2.0	-92.22	362.61	0.35	-91.87
CC1CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852731	0	45	-2.0	-114.24	366.88	2.81	-111.43
CC1CCN(C(=O)C2=CC=CC([O-])=C2F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852830	1	45	-2.0	-108.69	367.19	1.61	-107.08
CC1CCN(C(=O)C2=CC(=O)N[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852941	0	42	-2.0	-90.64	343.03	-1.40	-92.04
CC1CCN(C(=O)C(=O)[PH](C)(C)[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852947	0	47	-2.0	-91.37	377.66	0.04	-91.33
CC1CCN(C(=O)CC2=CC(=O)N(C)[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029852952	0	48	-2.0	-105.55	389.73	0.74	-104.81
CC1CCN(C(=O)C2=CC(F)=CC(F)=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853020	0	45	-2.0	-104.05	381.97	2.29	-101.76
CC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853045	0	45	-2.0	-118.42	379.89	2.52	-115.90
CC1CCN(C(=O)C2=NC(=O)N[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853071	0	41	-2.0	-87.90	337.75	-2.02	-89.92
CC1CCN(C(=O)C2=C([O-])C=CC=C2Cl)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853074	1	45	-2.0	-100.52	389.10	2.47	-98.05
CC1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853079	0	45	-2.0	-117.76	378.93	2.48	-115.28
CC1CCN(C(=O)C2=C(F)C=CC([O-])=C2F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853108	1	45	-2.0	-96.10	386.01	2.05	-94.05
CC1CCN(C(=O)C2=NC(N)=CC(=O)[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853198	0	45	-2.0	-100.48	377.41	-2.40	-102.88
CC1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853252	0	45	-2.0	-91.65	385.90	2.39	-89.26
CC1CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853257	1	45	-2.0	-103.30	369.65	1.98	-101.32
CC1=CC=NC(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029853322	1	47	-2.0	-100.32	378.24	2.38	-97.94
CC1CCN(C(=O)C2=CN=CC([O-])=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853443	1	44	-2.0	-89.47	364.79	0.05	-89.42
CC1CCN(C(=O)C2=CC=CC(=S)N2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853453	0	45	-2.0	-120.43	384.27	2.68	-117.75
CC1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853570	0	44	-2.0	-85.32	374.26	1.08	-84.24
CC1CCN(C(=O)C2=CC=C([O-])C=C2Cl)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853614	1	45	-2.0	-92.71	384.68	2.31	-90.40
CC1CCN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853616	0	48	-2.0	-101.16	398.06	0.30	-100.86
CC1CCN(C(=O)CC2=NC([O-])=CS2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853626	0	44	-2.0	-113.79	372.84	-1.70	-115.49
CC1CCN(C(=O)C2=C([O-])C=CC=C2F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853641	0	45	-2.0	-101.79	379.61	2.08	-99.71
CC1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853643	0	47	-2.0	-101.76	388.07	-1.09	-102.85
CC1CCN(C(=O)C2=CC=C(F)C=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853644	0	45	-2.0	-106.95	375.75	2.21	-104.74
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC(C)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300029853681	0	48	-2.0	-107.33	399.09	2.63	-104.70
CC1CCN(C(=O)CC2SC(=O)[N-]C2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853752	0	45	-2.0	-91.34	386.64	-2.20	-93.54
CC1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853777	0	45	-2.0	-95.80	377.06	1.75	-94.05
CC1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853784	0	45	-2.0	-108.45	376.69	3.30	-105.15
CC1=CC(=O)C(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029853813	0	46	-2.0	-96.94	378.25	2.55	-94.39
CC1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853839	0	45	-2.0	-117.60	373.16	2.05	-115.55
CC1CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853869	0	45	-2.0	-96.95	388.83	0.21	-96.74
CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853921	0	44	-2.0	-98.35	360.57	-1.24	-99.59
CC1CCN(C(=O)C2=C(F)C=CC(O)=C2O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853975	0	46	-2.0	-102.99	390.39	0.14	-102.85
CC1CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853975	1	46	-2.0	-102.99	390.39	0.14	-102.85
CC1CCN(C(=O)C2=CC(C#N)=CC=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029853984	0	46	-2.0	-99.89	384.08	2.34	-97.55
CC1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854079	0	45	-2.0	-93.99	384.03	-0.14	-94.13
CC1CCN(C(=O)C2=CC=C(F)C(O)=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854135	0	45	-2.0	-103.85	376.13	1.89	-101.96
CC1CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854135	1	45	-2.0	-103.85	376.13	1.89	-101.96
CC1CCN(C(=O)C2=CC=C(Cl)C=C2O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854154	0	45	-2.0	-106.80	386.07	2.65	-104.15
CC1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854154	1	45	-2.0	-106.80	386.07	2.65	-104.15
CC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854226	0	43	-2.0	-88.54	362.62	-3.57	-92.11
CC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854226	1	43	-2.0	-85.98	363.27	-2.88	-88.86
CC1CCN(C(=O)C2=CN=C(N)[N-]C2=O)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854286	1	45	-2.0	-101.87	377.08	-0.99	-102.86
CC1=C(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029854308	0	48	-2.0	-106.97	402.16	0.43	-106.54
CC1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854322	0	45	-2.0	-105.85	377.02	1.75	-104.10
COC1=NC(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029854369	0	47	-2.0	-95.30	387.93	-2.59	-97.89
CC1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854379	0	44	-2.0	-104.52	374.15	2.23	-102.29
CC1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854417	0	45	-2.0	-89.27	385.93	2.36	-86.91
CC1CCN(C(=O)C2=CC=NC=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854426	0	44	-2.0	-106.28	358.33	-0.04	-106.32
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854432	0	41	-2.0	-93.89	337.93	-1.41	-95.30
CC1=C([O-])N=C(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029854457	1	44	-2.0	-91.90	369.99	-0.62	-92.52
CC1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854553	1	47	-2.0	-91.43	389.71	1.58	-89.85
CC1CCN(C(=O)C2=CN=C(C=N[O-])S2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854576	0	44	-2.0	-101.49	379.54	-0.35	-101.84
CC1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854600	1	44	-2.0	-88.02	381.31	2.23	-85.79
CC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854624	0	45	-2.0	-88.76	373.63	-2.65	-91.41
CCN1[N-]C(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029854685	0	48	-2.0	-94.64	387.56	1.24	-93.40
CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854706	0	45	-2.0	-93.62	365.75	0.31	-93.31
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854716	0	45	-2.0	-94.56	383.30	-1.73	-96.29
CC1CCN(C(=O)CC2=CC(=O)N[N-]2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854853	1	45	-2.0	-103.45	366.95	-0.99	-104.44
CC1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854858	1	45	-2.0	-95.60	376.11	1.90	-93.70
CC1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854906	0	45	-2.0	-93.61	376.20	1.74	-91.87
CC1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854911	0	44	-2.0	-105.40	378.10	1.59	-103.81
CC1=C(CC(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029854926	0	51	-2.0	-105.55	409.87	1.42	-104.13
CC1=CN=C(C(=O)N2CCC(C)C(CNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029854963	1	47	-2.0	-110.28	379.39	2.35	-107.93
CC1CCN(C(=O)C2=CC([O-])=CS2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029854986	0	42	-2.0	-101.86	352.64	0.43	-101.43
CC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300029855002	0	45	-2.0	-100.97	373.51	2.26	-98.71
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CC1CNC(=O)C1=CN([O-])C(=O)NC1=O	REAL300029855032	0	45	-2.0	-90.68	368.97	-0.09	-90.77
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C2CC2)[N-]C1=O	REAL300029855517	1	48	-2.0	-101.52	390.79	1.50	-100.02
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300029856484	0	41	-2.0	-101.52	348.26	-3.71	-105.23
O=C(CN1C(=O)[N-]NC1=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029856586	0	43	-2.0	-102.04	363.15	-1.91	-103.95
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300029857293	0	43	-2.0	-111.10	359.46	2.43	-108.67
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300029857424	0	43	-2.0	-96.11	359.92	-2.48	-98.59
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300029857435	1	39	-2.0	-99.10	331.93	-2.64	-101.74
O=C([N-]CC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300029857538	1	38	-2.0	-95.94	341.42	0.67	-95.27
CCN1[N-]C(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029857628	0	46	-2.0	-101.85	381.30	0.99	-100.86
O=C(CC1=CC(=O)N[N-]1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857636	1	43	-2.0	-103.76	357.71	-0.96	-104.72
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=S)N1[O-]	REAL300029857656	0	43	-2.0	-130.19	367.97	4.47	-125.72
O=C(CC1SC(=O)[N-]C1=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857667	0	43	-2.0	-98.65	370.54	-2.51	-101.16
CN1N=C(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029857684	0	42	-2.0	-103.82	354.80	-1.31	-105.13
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300029857781	0	41	-2.0	-91.54	339.59	0.47	-91.07
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=C2N=NN([O-])C2=C1	REAL300029857817	0	45	-2.0	-107.62	375.87	0.91	-106.71
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300029857902	0	40	-2.0	-98.10	336.75	-1.65	-99.75
C[PH](C)([O-])C(=O)C(=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857907	0	45	-2.0	-89.85	368.00	-0.13	-89.98
CN1[N-]C(CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029857910	0	46	-2.0	-109.03	380.26	0.70	-108.33
O=C(CCC1=NC(=O)[N-]N1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029857939	1	45	-2.0	-106.41	373.39	-1.84	-108.25
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300029857944	0	43	-2.0	-110.69	354.88	2.52	-108.17
CC1=C([O-])N=C(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)S1	REAL300029857979	1	42	-2.0	-105.47	363.30	-1.52	-106.99
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)[N-]1	REAL300029857993	1	42	-2.0	-94.67	366.85	1.63	-93.04
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300029858013	0	43	-2.0	-111.55	359.83	2.41	-109.14
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300029858056	0	43	-2.0	-128.37	356.86	3.43	-124.94
O=C(C[N-]C(=O)C(F)(F)F)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858194	0	42	-2.0	-97.80	367.03	-1.77	-99.57
NC1=NC([O-])=C(CC(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)S1	REAL300029858195	0	44	-2.0	-125.77	378.09	-2.60	-128.37
O=C(CC1=NC([O-])=CS1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858247	0	42	-2.0	-116.80	363.54	-1.68	-118.48
CCC1=NC=C(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029858268	1	47	-2.0	-99.61	379.95	0.84	-98.77
O=C(CN1N=CC(=O)[N-]C1=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858279	0	44	-2.0	-109.82	373.05	-3.12	-112.94
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=C(Cl)C(=O)[N-]S1	REAL300029858344	0	39	-2.0	-97.27	354.26	-0.34	-97.61
CC1=CC(=O)C(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029858519	0	44	-2.0	-104.40	365.42	2.15	-102.25
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300029858535	0	39	-2.0	-99.59	332.06	-2.80	-102.39
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C=N[O-])S1	REAL300029858669	0	42	-2.0	-105.52	372.14	-0.07	-105.59
COC1=NC(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300029858685	0	45	-2.0	-102.35	377.31	-3.64	-105.99
CN1[N-]C(C(=O)NCC23CCC2CCN3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029858864	0	43	-2.0	-100.86	359.57	0.06	-100.80
O=C(CSC1=NNC(=O)[N-]1)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029858872	0	43	-2.0	-98.62	374.45	-1.67	-100.29
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300029859047	0	41	-2.0	-100.28	350.60	-4.56	-104.84
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300029859047	1	41	-2.0	-95.32	351.24	-3.82	-99.14
O=C(CN1[N-]C(=O)C=CC1=O)NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300029859216	0	45	-2.0	-104.57	378.54	-1.06	-105.63
O=C(NCC12CCC1CCN2C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029859470	1	42	-2.0	-112.15	348.52	2.36	-109.79
O=C(NCC12CCC1CCN2C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029859594	0	41	-2.0	-101.29	347.59	-3.50	-104.79
O=C(CN1C(=O)[N-]NC1=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029859759	0	43	-2.0	-107.77	364.99	-1.94	-109.71
O=C(NCC12CCC1CCN2C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300029860577	1	48	-2.0	-93.25	398.40	1.08	-92.17
O=C(NCC12CCC1CCN2C(=O)C1=CC(Cl)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029861139	1	43	-2.0	-119.06	368.27	4.11	-114.95
N#CC1=CC([O-])=CC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029861164	1	44	-2.0	-91.72	374.98	2.21	-89.51
CCC1=NC=C(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029861243	1	47	-2.0	-91.53	387.58	0.42	-91.11
O=C(NCC12CCC1CCN2C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029861260	1	39	-2.0	-93.26	331.25	-1.54	-94.80
O=C(C[N-]C(=O)C(F)(F)F)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861334	0	42	-2.0	-95.68	369.88	-1.70	-97.38
NC1=NC([O-])=C(CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300029861335	0	44	-2.0	-111.40	380.63	-2.45	-113.85
O=C(NCC12CCC1CCN2C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300029861356	1	43	-2.0	-105.75	358.30	2.59	-103.16
O=C(NCC12CCC1CCN2C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300029861362	0	42	-2.0	-96.82	356.76	1.07	-95.75
N#CC1=CC=C(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300029861370	1	44	-2.0	-116.00	370.53	2.93	-113.07
O=C(NCC12CCC1CCN2C(=O)C1=CC(Cl)=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300029861374	0	42	-2.0	-116.76	359.11	2.67	-114.09
N#CC1=CC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)=C(N)[N-]C1=O	REAL300029861377	0	45	-2.0	-98.01	385.58	-0.24	-98.25
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861391	0	44	-2.0	-103.71	376.40	-2.93	-106.64
CC1=CC=C([O-])C(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029861455	1	45	-2.0	-113.28	370.11	2.92	-110.36
O=C(NCC12CCC1CCN2C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300029861474	0	41	-2.0	-94.62	342.60	1.18	-93.44
O=C(NCC12CCC1CCN2C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300029861482	0	43	-2.0	-120.75	359.45	2.84	-117.91
O=C(NCC12CCC1CCN2C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029861575	1	43	-2.0	-114.04	359.81	1.81	-112.23
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300029861680	0	40	-2.0	-96.64	336.80	-1.25	-97.89
C[PH](C)([O-])C(=O)C(=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029861685	0	45	-2.0	-103.24	372.06	0.21	-103.03
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300029861776	0	43	-2.0	-120.74	356.59	3.03	-117.71
O=C(NCC12CCC1CCN2C(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300029861805	0	39	-2.0	-95.59	331.57	-1.96	-97.55
O=C(NCC12CCC1CCN2C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300029861811	0	43	-2.0	-101.51	362.83	2.20	-99.31
NC1=CC(=O)[N-]C(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029861914	0	43	-2.0	-108.31	360.36	-1.61	-109.92
O=C(NCC12CCC1CCN2C(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC(=O)[N-]O1	REAL300029861963	0	43	-2.0	-95.41	370.56	2.26	-93.15
O=C(NCC12CCC1CCN2C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300029861968	1	43	-2.0	-117.95	357.96	3.67	-114.28
CC1=CC=NC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300029862030	1	45	-2.0	-107.60	367.32	3.20	-104.40
O=C(NCC12CCC1CCN2C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300029862145	1	42	-2.0	-90.42	349.36	0.14	-90.28
O=C(NCC12CCC1CCN2C(=O)C1=CC=CC(=S)N1[O-])C1=CC(=O)[N-]O1	REAL300029862155	0	43	-2.0	-146.13	368.98	4.50	-141.63
O=C(NCC12CCC1CCN2C(=O)C1=CC=C([O-])C(Cl)=N1)C1=CC(=O)[N-]O1	REAL300029862268	0	42	-2.0	-90.84	366.82	1.24	-89.60
O=C(NCC12CCC1CCN2C(=O)C1=CC=C([O-])C=C1Cl)C1=CC(=O)[N-]O1	REAL300029862312	1	43	-2.0	-103.10	366.69	3.01	-100.09
N#CC1=CC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)=C([O-])C=C1N	REAL300029862313	0	46	-2.0	-117.77	382.56	2.11	-115.66
O=C(CC1=NC([O-])=CS1)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862320	0	42	-2.0	-112.11	366.91	-1.47	-113.58
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862334	0	45	-2.0	-108.33	381.14	-0.94	-109.27
O=C(NCC12CCC1CCN2C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300029862336	0	43	-2.0	-122.52	357.95	3.67	-118.85
O=C(CC1SC(=O)[N-]C1=O)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862430	0	43	-2.0	-98.11	373.92	-2.28	-100.39
O=C(NCC12CCC1CCN2C(=O)C1=CC=C([O-])C(F)=C1F)C1=CC(=O)[N-]O1	REAL300029862451	0	43	-2.0	-108.94	364.78	2.84	-106.10
O=C(NCC12CCC1CCN2C(=O)C1=CC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029862458	0	43	-2.0	-114.27	369.24	3.30	-110.97
CC1=CC(=O)C(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029862484	0	44	-2.0	-102.20	365.29	2.45	-99.75
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029862487	0	48	-2.0	-114.35	397.03	2.04	-112.31
O=C(NCC12CCC1CCN2C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300029862506	0	43	-2.0	-142.27	357.86	3.55	-138.72
N#CC1=CC=C(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029862529	0	43	-2.0	-100.24	376.40	0.77	-99.47
CN1N=C(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029862579	0	42	-2.0	-104.02	354.18	-1.04	-105.06
[N-]=[N+]=NC1=CC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)=CC=C1[O-]	REAL300029862602	0	45	-2.0	-102.64	379.57	0.33	-102.31
N#CC1=CC=C([O-])C(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029862638	0	44	-2.0	-113.79	372.44	4.01	-109.78
O=C(NCC12CCC1CCN2C(=O)C1=CN([O-])C(=O)NC1=O)C1=CC(=O)[N-]O1	REAL300029862730	0	43	-2.0	-96.84	363.17	-0.14	-96.98
O=C(NCC12CCC1CCN2C(=O)C1=CC=C(F)C(O)=C1)C1=CC(=O)[N-]O1	REAL300029862780	0	43	-2.0	-96.16	360.71	1.75	-94.41
O=C(NCC12CCC1CCN2C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300029862780	1	43	-2.0	-96.16	360.71	1.75	-94.41
O=C(NCC12CCC1CCN2C(=O)C1=CC=C(Cl)C=C1O)C1=CC(=O)[N-]O1	REAL300029862797	0	43	-2.0	-121.80	368.25	4.13	-117.67
O=C(NCC12CCC1CCN2C(=O)C1=CC=C(Cl)C=C1[O-])C1=CC(=O)[N-]O1	REAL300029862797	1	43	-2.0	-121.80	368.25	4.13	-117.67
O=C(NCC12CCC1CCN2C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300029862862	0	41	-2.0	-95.40	349.68	-3.75	-99.15
O=C(NCC12CCC1CCN2C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300029862862	1	41	-2.0	-92.34	350.20	-2.96	-95.30
O=C(NCC12CCC1CCN2C(=O)C1=CC=C2N=NN([O-])C2=C1)C1=CC(=O)[N-]O1	REAL300029862876	0	45	-2.0	-123.52	372.79	1.55	-121.97
O=C(NCC12CCC1CCN2C(=O)C1=C(Cl)C(=O)[N-]S1)C1=CC(=O)[N-]O1	REAL300029862905	0	39	-2.0	-98.19	352.26	-0.58	-98.77
NC1=NC=C(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029862919	1	43	-2.0	-106.54	364.84	-0.38	-106.92
CC1=C(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300029862942	0	46	-2.0	-90.48	386.12	1.99	-88.49
O=C(NCC12CCC1CCN2C(=O)C1=CC=C(F)C([O-])=C1F)C1=CC(=O)[N-]O1	REAL300029862954	0	43	-2.0	-122.75	364.81	2.82	-119.93
COC1=NC(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300029863002	0	45	-2.0	-101.12	374.42	-2.70	-103.82
O=C(NCC12CCC1CCN2C(=O)C1=CC=C2N[N-]N=C2C1=O)C1=CC(=O)[N-]O1	REAL300029863003	0	45	-2.0	-94.44	370.72	1.21	-93.23
O=C(NCC12CCC1CCN2C(=O)C1=NC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029863009	0	42	-2.0	-103.75	363.19	3.03	-100.72
O=C(NCC12CCC1CCN2C(=O)C1=CC=C(Cl)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300029863042	0	43	-2.0	-91.21	369.16	2.30	-88.91
O=C(NCC12CCC1CCN2C(=O)C1=CC=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300029863051	0	42	-2.0	-124.08	343.75	1.99	-122.09
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300029863056	0	39	-2.0	-98.36	331.12	-1.19	-99.55
CC1=C([O-])N=C(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300029863077	1	42	-2.0	-100.10	363.26	-0.64	-100.74
O=C(NCC12CCC1CCN2C(=O)C(=O)C1=CC=C([O-])C=C1)C1=CC(=O)[N-]O1	REAL300029863167	1	45	-2.0	-96.59	373.67	1.82	-94.77
O=C(NCC12CCC1CCN2C(=O)C1=CN=C(C=N[O-])S1)C1=CC(=O)[N-]O1	REAL300029863190	0	42	-2.0	-111.58	368.05	0.70	-110.88
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=CC(=O)[N-]O1	REAL300029863211	1	42	-2.0	-92.06	365.90	2.19	-89.87
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300029863234	0	43	-2.0	-101.26	356.39	-1.85	-103.11
CCN1[N-]C(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029863294	0	46	-2.0	-100.65	381.34	1.40	-99.25
CN1[N-]C(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029863311	0	43	-2.0	-99.24	359.59	0.44	-98.80
O=C(CSC1=NNC(=O)[N-]1)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863321	0	43	-2.0	-97.48	376.74	-1.68	-99.16
O=C(CC1=CC(=O)N[N-]1)N1CCC2CCC21CNC(=O)C1=CC(=O)[N-]O1	REAL300029863441	1	43	-2.0	-106.05	361.06	-0.75	-106.80
O=C(NCC12CCC1CCN2C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300029863446	1	43	-2.0	-98.06	360.76	1.78	-96.28
O=C(NCC12CCC1CCN2C(=O)C1=CC(F)=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300029863489	0	43	-2.0	-100.32	365.28	1.87	-98.45
O=C(NCC12CCC1CCN2C(=O)C1=CC=NC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300029863494	0	42	-2.0	-122.41	358.42	2.70	-119.71
CC1=C(CC(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300029863508	0	49	-2.0	-114.10	402.79	1.55	-112.55
CC1=CN=C(C(=O)N2CCC3CCC32CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300029863544	1	45	-2.0	-112.75	369.99	3.08	-109.67
O=C(NCC12CCC1CCN2C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300029863565	0	40	-2.0	-117.61	341.53	1.34	-116.27
O=C(NCC12CCC1CCN2C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300029863578	0	43	-2.0	-113.44	360.44	2.26	-111.18
O=C(NCC12CCC1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)NC1=O	REAL300029863610	0	43	-2.0	-97.38	360.65	0.05	-97.33
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=COC(=O)[N-]1	REAL300029864039	1	48	-2.0	-92.93	374.68	-0.82	-93.75
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)N[N-]1	REAL300029864130	0	49	-2.0	-97.41	379.42	0.14	-97.27
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=NC(=O)N[N-]1	REAL300029864212	0	48	-2.0	-96.32	374.02	-1.16	-97.48
CC(CC1CC2CCC(C1)N2C(=O)C1=COC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300029864686	1	48	-2.0	-92.42	374.41	0.42	-92.00
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)N[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300029864750	0	49	-2.0	-94.76	379.27	0.52	-94.24
CC(CC1CC2CCC(C1)N2C(=O)C1=NNC(=O)[N-]1)NC(=O)C1=CC(=O)[N-]O1	REAL300029864764	0	48	-2.0	-98.37	373.83	-0.99	-99.36
CC(CC1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1)NC(=O)C1=CC(=O)[N-]O1	REAL300029864939	0	48	-2.0	-97.46	374.25	0.67	-96.79
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300029865914	0	44	-2.0	-95.34	363.76	-1.66	-97.00
O=C(CN1C(=O)[N-]NC1=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029865975	0	46	-2.0	-110.21	381.49	-0.26	-110.47
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300029866403	0	46	-2.0	-104.38	380.86	4.08	-100.30
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300029866491	0	46	-2.0	-90.65	382.15	-0.79	-91.44
O=C(C1=COC(=O)[N-]1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866502	1	42	-2.0	-94.13	347.67	0.08	-94.05
CCN1[N-]C(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029866626	0	49	-2.0	-93.45	395.37	2.94	-90.51
O=C(CC1=CC(=O)N[N-]1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866633	1	46	-2.0	-111.87	376.40	0.89	-110.98
CN1N=C(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029866660	0	45	-2.0	-97.80	369.94	0.56	-97.24
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300029866723	0	44	-2.0	-98.08	365.49	1.95	-96.13
O=C(C1=CC(=O)N[N-]1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866794	0	43	-2.0	-90.30	350.83	0.29	-90.01
C[PH](C)([O-])C(=O)C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866799	0	48	-2.0	-100.45	385.66	1.43	-99.02
O=C(CCC1=NC(=O)NN1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866821	0	48	-2.0	-104.89	391.74	-0.15	-105.04
O=C(CCC1=NC(=O)[N-]N1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029866821	1	48	-2.0	-104.89	391.74	-0.15	-105.04
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300029866824	0	46	-2.0	-119.71	381.68	4.07	-115.64
CC1SC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029866845	0	45	-2.0	-100.28	378.35	0.99	-99.29
CC1=C([O-])N=C(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029866845	1	45	-2.0	-100.28	378.35	0.99	-99.29
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300029866863	0	46	-2.0	-102.33	381.86	4.20	-98.13
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300029866888	0	46	-2.0	-108.43	381.03	3.99	-104.44
O=C(CC1=NC([O-])=CS1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029867007	0	45	-2.0	-123.92	382.36	0.10	-123.82
CC1=CC(=O)C(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029867177	0	47	-2.0	-94.64	379.30	4.10	-90.54
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300029867188	0	42	-2.0	-93.30	347.29	-0.45	-93.75
CN1[N-]C(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029867389	0	46	-2.0	-92.72	373.64	2.00	-90.72
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300029867495	0	44	-2.0	-94.40	365.90	-1.41	-95.81
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300029867495	1	44	-2.0	-94.40	365.90	-1.41	-95.81
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=NC=CC=C2[O-])C1	REAL300029867850	1	45	-2.0	-106.95	363.41	4.10	-102.85
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300029867947	0	44	-2.0	-96.34	362.05	-1.94	-98.28
O=C(CN1C(=O)[N-]NC1=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868043	0	46	-2.0	-114.02	379.09	-0.38	-114.40
N#CC1=CC([O-])=CC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029868830	1	47	-2.0	-97.00	384.07	3.30	-93.70
O=C(C1=COC(=O)[N-]1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029868888	1	42	-2.0	-88.26	345.78	0.21	-88.05
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC=C([O-])C=C2F)C1	REAL300029868958	1	46	-2.0	-93.11	374.60	3.30	-89.81
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N#CC1=CC=C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300029868965	1	47	-2.0	-98.37	386.94	3.64	-94.73
CC1=CC=C([O-])C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029869016	1	48	-2.0	-104.93	384.14	4.40	-100.53
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O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC=CC([O-])=C2F)C1	REAL300029869094	1	46	-2.0	-111.17	370.25	3.33	-107.84
O=C(C1=CC(=O)N[N-]1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869157	0	43	-2.0	-92.19	352.62	0.34	-91.85
C[PH](C)([O-])C(=O)C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869162	0	48	-2.0	-97.93	390.87	1.55	-96.38
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300029869214	0	46	-2.0	-106.35	373.16	3.78	-102.57
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=NC(=O)N[N-]2)C1	REAL300029869231	0	42	-2.0	-89.09	345.43	-0.42	-89.51
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC=CN([O-])C2=O)C1	REAL300029869235	0	46	-2.0	-107.34	367.83	3.28	-104.06
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC(F)=CC=C2O)C1	REAL300029869337	0	46	-2.0	-103.18	367.48	4.62	-98.56
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300029869337	1	46	-2.0	-103.18	367.48	4.62	-98.56
CC1=CC=NC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1O	REAL300029869381	0	48	-2.0	-103.48	382.88	4.51	-98.97
CC1=CC=NC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029869381	1	48	-2.0	-103.48	382.88	4.51	-98.97
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CN=CC(O)=C2)C1	REAL300029869444	0	45	-2.0	-96.44	361.85	1.36	-95.08
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CN=CC([O-])=C2)C1	REAL300029869444	1	45	-2.0	-96.44	361.85	1.36	-95.08
O=C(CC1=NC([O-])=CS1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869535	0	45	-2.0	-111.43	381.60	0.14	-111.29
CC1=CC(=O)C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029869637	0	47	-2.0	-97.23	381.29	4.11	-93.12
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300029869650	0	46	-2.0	-126.52	369.80	4.64	-121.88
N#CC1=CC=C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029869666	0	46	-2.0	-83.93	367.22	1.05	-82.88
CN1N=C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029869691	0	45	-2.0	-99.08	368.97	0.63	-98.45
N#CC1=CC=C([O-])C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029869727	0	47	-2.0	-98.75	385.84	4.90	-93.85
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300029869812	0	46	-2.0	-102.91	373.03	3.27	-99.64
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300029869812	1	46	-2.0	-102.91	373.03	3.27	-99.64
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300029869859	0	44	-2.0	-91.83	365.64	-2.11	-93.94
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300029869859	1	44	-2.0	-86.33	364.52	-1.34	-87.67
NC1=NC=C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029869890	1	46	-2.0	-92.04	365.94	0.21	-91.83
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC=NC=C2[O-])C1	REAL300029869969	0	45	-2.0	-105.91	356.37	2.77	-103.14
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300029869974	0	42	-2.0	-94.13	345.65	0.49	-93.64
CC1=C([O-])N=C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029869988	1	45	-2.0	-94.42	378.47	1.14	-93.28
O=C(C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C([O-])C=C1	REAL300029870059	1	48	-2.0	-94.51	389.18	3.54	-90.97
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300029870091	0	46	-2.0	-97.46	369.36	-1.41	-98.87
CCN1[N-]C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029870133	0	49	-2.0	-96.10	397.16	2.99	-93.11
CN1[N-]C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029870145	0	46	-2.0	-95.09	375.35	2.06	-93.03
O=C(CC1=CC(=O)N[N-]1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029870215	1	46	-2.0	-104.81	375.81	0.87	-103.94
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300029870219	1	46	-2.0	-93.26	373.01	3.30	-89.96
CC1=CN=C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029870277	1	48	-2.0	-108.51	384.89	4.76	-103.75
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC([O-])=CS2)C1	REAL300029870289	0	43	-2.0	-104.57	360.09	2.13	-102.44
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300029870300	0	46	-2.0	-103.12	381.16	4.07	-99.05
CC(NC(=O)C1=NNC(=O)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871567	0	41	-2.0	-89.56	352.80	-5.58	-95.14
CC(NC(=O)CN1C(=O)[N-]NC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029871653	0	43	-2.0	-98.93	368.36	-3.57	-102.50
CC(NC(=O)C1=CN([O-])C(=O)C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872267	0	43	-2.0	-105.01	363.88	0.58	-104.43
CC(NC(=O)C1=CC(=O)NC([O-])=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872383	0	43	-2.0	-87.35	364.35	-4.34	-91.69
CC(NC(=O)C1=COC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872394	1	39	-2.0	-91.42	338.26	-4.02	-95.44
CC([N-]C(=O)C(F)(F)C(F)(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872485	0	38	-2.0	-79.96	341.01	-0.79	-80.75
CCN1[N-]C(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)=CC1=O	REAL300029872566	0	46	-2.0	-93.62	385.42	-0.98	-94.60
CC(NC(=O)CC1=CC(=O)N[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872574	1	43	-2.0	-102.36	363.36	-2.54	-104.90
CC(NC(=O)C1=CC=CC(=S)N1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872592	0	43	-2.0	-118.39	373.42	2.95	-115.44
CC(NC(=O)CC1SC(=O)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872601	0	43	-2.0	-85.35	374.70	-4.48	-89.83
CC(NC(=O)C1=NN(C)C(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872617	0	42	-2.0	-92.49	359.49	-2.95	-95.44
CC(NC(=O)C1=C[N-]N=CC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872707	0	41	-2.0	-85.68	347.34	-0.86	-86.54
CC(NC(=O)C1=CC(=O)N[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872813	0	40	-2.0	-89.73	340.87	-3.62	-93.35
CC(NC(=O)C(=O)[PH](C)(C)[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872818	0	45	-2.0	-86.56	376.63	-1.54	-88.10
CC(NC(=O)CCC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872846	0	45	-2.0	-94.40	378.71	-2.96	-97.36
CC(NC(=O)C1=CC=CN([O-])C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872850	0	43	-2.0	-102.14	362.91	1.08	-101.06
CC1=C([O-])N=C(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)S1	REAL300029872878	1	42	-2.0	-93.00	367.46	-3.51	-96.51
CC(NC(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872892	1	42	-2.0	-82.39	371.07	-0.33	-82.72
CC(NC(=O)C1=CC(=O)N([O-])C=C1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872909	0	43	-2.0	-102.24	365.18	0.92	-101.32
CC(NC(=O)C1=CC=CC(=O)N1[O-])C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029872944	0	43	-2.0	-115.45	362.31	1.91	-113.54
CC(NC(=O)C[N-]C(=O)C(F)(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873070	0	42	-2.0	-85.86	372.63	-3.15	-89.01
CC(NC(=O)CC1=C([O-])N=C(N)S1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873071	0	44	-2.0	-102.70	383.83	-3.99	-106.69
CC(NC(=O)CC1=NC([O-])=CS1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873119	0	42	-2.0	-108.55	367.38	-3.72	-112.27
CCC1=NC=C(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C(=O)[N-]1	REAL300029873137	1	47	-2.0	-89.97	386.43	-0.98	-90.95
CC(NC(=O)CN1N=CC(=O)[N-]C1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873146	0	44	-2.0	-99.58	377.24	-5.02	-104.60
CC1=CC(=O)C(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)=N[N-]1	REAL300029873357	0	44	-2.0	-89.85	369.64	0.16	-89.69
CC(NC(=O)C1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873372	0	39	-2.0	-89.58	336.66	-4.61	-94.19
CC(NC(=O)C1=CN=C(C=N[O-])S1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873487	0	42	-2.0	-96.66	376.65	-1.93	-98.59
COC1=NC(C(=O)NC(C)C2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)=CC(=O)[N-]1	REAL300029873501	0	45	-2.0	-89.34	381.96	-5.49	-94.83
CC(NC(=O)C1=CC(=O)N(C)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873657	0	43	-2.0	-94.41	365.52	-1.46	-95.87
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873664	0	43	-2.0	-94.28	379.67	-3.34	-97.62
CC([N-]C(=O)C(F)(F)C(F)F)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873761	1	38	-2.0	-81.81	336.01	-0.93	-82.74
CC(NC(=O)C1=NC(=O)[N-]C(=O)N1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873824	0	41	-2.0	-88.30	354.04	-6.67	-94.97
CC(NC(=O)C1=NC(=O)NC(=O)[N-]1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873824	1	41	-2.0	-82.61	354.69	-5.92	-88.53
CC(NC(=O)CN1[N-]C(=O)C=CC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029873969	0	45	-2.0	-92.06	382.70	-3.04	-95.10
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC=CC=C2[O-])CCO1	REAL300029874222	1	42	-2.0	-98.61	355.00	0.99	-97.62
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NNC(=O)[N-]C2=O)CCO1	REAL300029874348	0	41	-2.0	-92.46	354.40	-4.84	-97.30
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2C(=O)[N-]NC2=O)CCO1	REAL300029874513	0	43	-2.0	-96.95	371.05	-3.35	-100.30
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(Cl)=CC=C2[O-])CCO1	REAL300029875907	1	43	-2.0	-96.06	379.02	1.70	-94.36
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([O-])=CC(C#N)=C2)CCO1	REAL300029875932	1	44	-2.0	-85.53	382.10	0.61	-84.92
CCC1=NC=C(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029876017	1	47	-2.0	-95.41	395.49	-1.28	-96.69
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=COC(=O)[N-]2)CCO1	REAL300029876036	1	39	-2.0	-83.47	336.20	-3.04	-86.51
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C[N-]C(=O)C(F)(F)F)CCO1	REAL300029876103	0	42	-2.0	-85.69	374.23	-3.53	-89.22
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=C([O-])N=C(N)S2)CCO1	REAL300029876104	0	44	-2.0	-104.15	385.43	-4.31	-108.46
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(F)C=C([O-])C=C2F)CCO1	REAL300029876114	0	43	-2.0	-86.03	379.03	0.55	-85.48
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C=C2F)CCO1	REAL300029876129	1	43	-2.0	-89.68	366.95	-0.09	-89.77
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([O-])=CC(=O)O2)CCO1	REAL300029876135	0	42	-2.0	-85.57	361.51	-0.94	-86.51
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C#N)C([O-])=C2)CCO1	REAL300029876142	1	44	-2.0	-94.61	381.49	0.27	-94.34
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(Cl)=NC=C2[O-])CCO1	REAL300029876145	0	42	-2.0	-90.50	374.07	-0.27	-90.77
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2N=CC(=O)[N-]C2=O)CCO1	REAL300029876163	0	44	-2.0	-96.78	380.12	-4.93	-101.71
CC1=CC=C([O-])C(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029876225	1	45	-2.0	-102.31	378.99	1.09	-101.22
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CCC2=NNC(=O)[N-]2)CCO1	REAL300029876227	0	45	-2.0	-90.28	380.12	-3.15	-93.43
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C[N-]N=CC2=O)CCO1	REAL300029876243	0	41	-2.0	-85.78	356.49	-1.13	-86.91
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(F)=C2[O-])CCO1	REAL300029876252	0	43	-2.0	-98.91	368.54	1.25	-97.66
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC([O-])=C2F)CCO1	REAL300029876341	1	43	-2.0	-99.34	369.03	0.36	-98.98
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)N[N-]2)CCO1	REAL300029876445	0	40	-2.0	-84.94	340.71	-3.13	-88.07
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(=O)[PH](C)(C)[O-])CCO1	REAL300029876451	0	45	-2.0	-85.97	376.86	-1.61	-87.58
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)N([O-])C=C2)CCO1	REAL300029876545	0	43	-2.0	-97.87	371.41	0.54	-97.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC(=O)N[N-]2)CCO1	REAL300029876570	0	39	-2.0	-83.41	335.46	-3.72	-87.13
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(O)C=CC=C2Cl)CCO1	REAL300029876573	0	43	-2.0	-92.85	380.71	0.48	-92.37
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C=CC=C2Cl)CCO1	REAL300029876573	1	43	-2.0	-92.85	380.71	0.48	-92.37
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CN([O-])C2=O)CCO1	REAL300029876577	0	43	-2.0	-97.78	364.36	0.33	-97.45
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(F)C=CC(O)=C2F)CCO1	REAL300029876606	0	43	-2.0	-89.87	377.66	0.05	-89.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(F)C=CC([O-])=C2F)CCO1	REAL300029876606	1	43	-2.0	-89.87	377.66	0.05	-89.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(F)=CC=C2O)CCO1	REAL300029876747	0	43	-2.0	-95.48	368.70	1.25	-94.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(F)=CC=C2[O-])CCO1	REAL300029876747	1	43	-2.0	-95.48	368.70	1.25	-94.23
CC1=CC=NC(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=C1O	REAL300029876811	0	45	-2.0	-102.32	375.26	1.69	-100.63
CC1=CC=NC(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029876811	1	45	-2.0	-102.32	375.26	1.69	-100.63
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=CC([O-])=C2)CCO1	REAL300029876919	1	42	-2.0	-90.76	357.96	-1.59	-92.35
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(=S)N2[O-])CCO1	REAL300029876929	0	43	-2.0	-117.33	382.11	0.93	-116.40
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)CCO1	REAL300029877039	0	42	-2.0	-81.06	371.43	-0.62	-81.68
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C=C2Cl)CCO1	REAL300029877079	1	43	-2.0	-88.25	375.61	0.34	-87.91
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=NC([O-])=CS2)CCO1	REAL300029877090	0	42	-2.0	-111.04	371.89	-2.97	-114.01
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C([O-])C=CC=C2F)CCO1	REAL300029877105	0	43	-2.0	-93.95	371.22	0.09	-93.86
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CN2[N-]C(=O)C=CC2=O)CCO1	REAL300029877107	0	45	-2.0	-94.99	385.89	-2.83	-97.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(F)C=C2[O-])CCO1	REAL300029877108	0	43	-2.0	-99.79	366.72	0.84	-98.95
CC1=CC=C(F)C([O-])=C1C(=O)N1CCOC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029877141	0	46	-2.0	-97.54	392.50	1.09	-96.45
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2SC(=O)[N-]C2=O)CCO1	REAL300029877207	0	43	-2.0	-88.42	380.19	-3.71	-92.13
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C(F)=C2F)CCO1	REAL300029877232	0	43	-2.0	-90.71	375.13	0.45	-90.26
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(Cl)=C2[O-])CCO1	REAL300029877238	0	43	-2.0	-94.62	378.34	1.72	-92.90
CC1=CC(=O)C(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029877267	0	44	-2.0	-92.11	371.59	1.04	-91.07
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=CC(=O)N2[O-])CCO1	REAL300029877292	0	43	-2.0	-113.39	371.00	0.30	-113.09
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(C#N)[N-]C2=O)CCO1	REAL300029877321	0	43	-2.0	-88.81	382.50	-1.31	-90.12
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NN(C)C(=O)[N-]2)CCO1	REAL300029877369	0	42	-2.0	-93.63	360.29	-2.46	-96.09
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(F)C=CC(O)=C2O)CCO1	REAL300029877422	0	44	-2.0	-94.38	382.03	-1.85	-96.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])CCO1	REAL300029877422	1	44	-2.0	-94.38	382.03	-1.85	-96.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(C#N)=CC=C2[O-])CCO1	REAL300029877431	0	44	-2.0	-93.06	383.14	1.61	-91.45
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN([O-])C(=O)NC2=O)CCO1	REAL300029877519	0	43	-2.0	-89.51	375.58	-2.11	-91.62
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(F)C(O)=C2)CCO1	REAL300029877571	0	43	-2.0	-88.80	367.53	-0.12	-88.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(F)C([O-])=C2)CCO1	REAL300029877571	1	43	-2.0	-88.80	367.53	-0.12	-88.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(Cl)C=C2O)CCO1	REAL300029877589	0	43	-2.0	-99.59	377.00	1.29	-98.30
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(Cl)C=C2[O-])CCO1	REAL300029877589	1	43	-2.0	-99.59	377.00	1.29	-98.30
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCO1	REAL300029877658	0	41	-2.0	-85.72	354.31	-5.52	-91.24
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCO1	REAL300029877658	1	41	-2.0	-83.97	354.85	-4.76	-88.73
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(N)[N-]C2=O)CCO1	REAL300029877715	1	43	-2.0	-95.91	368.86	-2.94	-98.85
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(F)C([O-])=C2F)CCO1	REAL300029877749	0	43	-2.0	-98.57	375.02	0.42	-98.15
COC1=NC(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029877792	0	45	-2.0	-90.95	381.41	-4.10	-95.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=NC=CC(Cl)=C2[O-])CCO1	REAL300029877802	0	42	-2.0	-97.46	373.59	1.03	-96.43
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C(Cl)C([O-])=C2)CCO1	REAL300029877840	0	43	-2.0	-85.31	377.32	0.37	-84.94
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=NC=C2[O-])CCO1	REAL300029877849	0	42	-2.0	-99.36	355.97	-1.71	-101.07
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029877855	0	39	-2.0	-94.97	337.83	-2.54	-97.51
CC1=C([O-])N=C(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029877878	1	42	-2.0	-90.84	369.56	-1.83	-92.67
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)CCO1	REAL300029877971	1	45	-2.0	-92.72	387.53	-0.14	-92.86
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN=C(C=N[O-])S2)CCO1	REAL300029877991	0	42	-2.0	-98.64	377.13	-2.09	-100.73
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CCO1	REAL300029878013	1	42	-2.0	-83.88	374.89	0.75	-83.13
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)NC([O-])=C2)CCO1	REAL300029878033	0	43	-2.0	-84.50	371.25	-4.36	-88.86
CCN1[N-]C(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029878094	0	46	-2.0	-90.87	386.86	0.01	-90.86
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(=O)N(C)[N-]2)CCO1	REAL300029878113	0	43	-2.0	-90.07	365.04	-0.92	-90.99
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1	REAL300029878123	0	43	-2.0	-91.80	382.36	-3.02	-94.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)CC2=CC(=O)N[N-]2)CCO1	REAL300029878253	1	43	-2.0	-97.99	366.64	-2.26	-100.25
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=C([O-])C(F)=C2)CCO1	REAL300029878258	1	43	-2.0	-89.33	367.51	-0.08	-89.41
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CCO1	REAL300029878305	0	43	-2.0	-90.71	374.01	0.42	-90.29
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC=NC(Cl)=C2[O-])CCO1	REAL300029878310	0	42	-2.0	-92.33	373.37	-0.24	-92.57
CC1=C(CC(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029878325	0	49	-2.0	-98.27	408.92	0.14	-98.13
CC1=CN=C(C(=O)N2CCOC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029878361	1	45	-2.0	-103.74	376.39	1.64	-102.10
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CC([O-])=CS2)CCO1	REAL300029878383	0	40	-2.0	-96.51	351.87	-0.86	-97.37
CC(NC(=O)C1=CC(=O)[N-]O1)C1CN(C(=O)C2=CN([O-])C(=O)C=C2)CCO1	REAL300029878399	0	43	-2.0	-101.77	373.23	0.98	-100.79
CC(NC(=O)C1=CN([O-])C(=O)NC1=O)C1CN(C(=O)C2=CC(=O)[N-]O2)CCO1	REAL300029878427	0	43	-2.0	-91.77	368.57	-1.31	-93.08
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=CN=C(C2CC2)[N-]C1=O	REAL300029878909	1	48	-2.0	-92.06	400.67	1.46	-90.60
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=NNC(=O)[N-]C1=O	REAL300029879876	0	41	-2.0	-92.62	356.35	-3.81	-96.43
O=C(CN1C(=O)[N-]NC1=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029879978	0	43	-2.0	-92.60	369.75	-2.05	-94.65
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=CN([O-])C(=O)C=C1	REAL300029880685	0	43	-2.0	-103.54	367.16	2.42	-101.12
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=CC(=O)NC([O-])=C1	REAL300029880816	0	43	-2.0	-86.80	367.37	-2.50	-89.30
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=COC(=O)[N-]1	REAL300029880827	1	39	-2.0	-88.06	339.25	-2.63	-90.69
CCN1[N-]C(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)=CC1=O	REAL300029881020	0	46	-2.0	-91.82	389.24	0.92	-90.90
O=C(CC1=CC(=O)N[N-]1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881028	1	43	-2.0	-95.54	365.23	-1.13	-96.67
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=CC=CC(=S)N1[O-]	REAL300029881048	0	43	-2.0	-119.64	375.85	4.39	-115.25
O=C(CC1SC(=O)[N-]C1=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881059	0	43	-2.0	-88.28	378.57	-2.60	-90.88
CN1N=C(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)[N-]C1=O	REAL300029881076	0	42	-2.0	-94.99	362.12	-1.55	-96.54
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=C[N-]N=CC1=O	REAL300029881173	0	41	-2.0	-80.29	348.29	0.52	-79.77
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=CC=C2N=NN([O-])C2=C1	REAL300029881209	0	45	-2.0	-100.70	384.10	0.93	-99.77
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=CC(=O)N[N-]1	REAL300029881294	0	40	-2.0	-88.81	344.93	-1.72	-90.53
C[PH](C)([O-])C(=O)C(=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881299	0	45	-2.0	-86.19	377.78	-0.36	-86.55
O=C(CCC1=NC(=O)NN1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881331	0	45	-2.0	-98.08	380.71	-1.96	-100.04
O=C(CCC1=NC(=O)[N-]N1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881331	1	45	-2.0	-98.08	380.71	-1.96	-100.04
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=CC=CN([O-])C1=O	REAL300029881336	0	43	-2.0	-104.76	364.92	2.53	-102.23
CC1SC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)=NC1=O	REAL300029881371	0	42	-2.0	-98.24	371.47	-1.61	-99.85
CC1=C([O-])N=C(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)S1	REAL300029881371	1	42	-2.0	-98.24	371.47	-1.61	-99.85
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=CC(=O)C=C(Cl)N1	REAL300029881385	0	42	-2.0	-85.88	374.95	1.56	-84.32
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=CC(=O)C=C(Cl)[N-]1	REAL300029881385	1	42	-2.0	-85.88	374.95	1.56	-84.32
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=CC(=O)N([O-])C=C1	REAL300029881405	0	43	-2.0	-105.13	367.93	2.32	-102.81
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=CC=CC(=O)N1[O-]	REAL300029881448	0	43	-2.0	-116.81	364.74	3.34	-113.47
NC1=NC([O-])=C(CC(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)S1	REAL300029881587	0	44	-2.0	-103.86	385.64	-2.63	-106.49
O=C(CC1=NC([O-])=CS1)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029881639	0	42	-2.0	-106.10	371.05	-1.84	-107.94
CCC1=NC=C(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C(=O)N1	REAL300029881660	0	47	-2.0	-90.33	389.83	0.81	-89.52
CCC1=NC=C(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)C(=O)[N-]1	REAL300029881660	1	47	-2.0	-90.33	389.83	0.81	-89.52
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=C(Cl)C(=O)[N-]S1	REAL300029881736	0	39	-2.0	-89.90	362.36	-0.45	-90.35
CC1=CC(=O)C(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)=N[N-]1	REAL300029881911	0	44	-2.0	-92.48	373.55	2.06	-90.42
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=NC(=O)N[N-]1	REAL300029881927	0	39	-2.0	-90.46	339.19	-3.02	-93.48
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=CN=C(C=N[O-])S1	REAL300029882061	0	42	-2.0	-100.99	379.98	-0.14	-101.13
COC1=NC(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)=CC(=O)[N-]1	REAL300029882077	0	45	-2.0	-92.58	385.51	-3.73	-96.31
CN1[N-]C(C(=O)NC[C@@H]2C[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]23)=CC1=O	REAL300029882256	0	43	-2.0	-89.20	366.81	0.05	-89.15
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	REAL300029882264	0	43	-2.0	-93.72	382.40	-1.76	-95.48
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=NC(=O)[N-]C(=O)N1	REAL300029882439	0	41	-2.0	-93.92	357.72	-4.78	-98.70
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=NC(=O)NC(=O)[N-]1	REAL300029882439	1	41	-2.0	-84.83	358.71	-3.97	-88.80
O=C(CN1[N-]C(=O)C=CC1=O)NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12	REAL300029882608	0	45	-2.0	-93.46	386.59	-1.10	-94.56
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=NC=CC=C3[O-])C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029882862	1	42	-2.0	-102.31	356.41	2.41	-99.90
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=NNC(=O)[N-]C3=O)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029882997	0	41	-2.0	-92.66	355.37	-3.39	-96.05
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029883190	0	43	-2.0	-94.35	373.80	-1.97	-96.32
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029884154	1	48	-2.0	-97.51	410.36	1.15	-96.36
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(Cl)=CC=C3[O-])C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029884842	1	43	-2.0	-98.67	377.59	3.26	-95.41
N#CC1=CC([O-])=CC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)=C1	REAL300029884869	1	44	-2.0	-91.81	381.36	1.89	-89.92
CCC1=NC=C(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C(=O)[N-]1	REAL300029884968	1	47	-2.0	-96.28	399.29	0.56	-95.72
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=COC(=O)[N-]3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029884988	1	39	-2.0	-90.18	339.69	-1.58	-91.76
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885065	0	42	-2.0	-87.65	378.25	-1.68	-89.33
NC1=NC([O-])=C(CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)S1	REAL300029885066	0	44	-2.0	-105.21	388.84	-2.55	-107.76
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=C(F)C=C([O-])C=C3F)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885076	0	43	-2.0	-85.53	380.76	1.86	-83.67
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=C([O-])C=C3F)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885092	1	43	-2.0	-92.12	366.93	1.61	-90.51
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC([O-])=CC(=O)O3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885098	0	42	-2.0	-89.73	364.65	1.04	-88.69
N#CC1=CC=C(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C=C1[O-]	REAL300029885107	1	44	-2.0	-101.10	379.43	2.00	-99.10
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(Cl)=NC=C3[O-])C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885111	0	42	-2.0	-100.00	374.46	1.11	-98.89
N#CC1=CC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)=C(N)[N-]C1=O	REAL300029885117	0	45	-2.0	-87.18	394.48	-1.21	-88.39
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885134	0	44	-2.0	-97.67	383.79	-3.09	-100.76
CC1=CC=C([O-])C(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)=N1	REAL300029885205	1	45	-2.0	-102.25	377.29	2.97	-99.28
O=C(CCC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885207	0	45	-2.0	-89.82	383.63	-1.41	-91.23
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=C[N-]N=CC3=O)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885226	0	41	-2.0	-88.48	358.15	0.22	-88.26
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=CC(F)=C3[O-])C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885237	0	43	-2.0	-106.24	367.39	2.77	-103.47
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=CC([O-])=C3F)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885341	1	43	-2.0	-102.74	366.92	1.57	-101.17
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)N[N-]3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885466	0	40	-2.0	-87.84	343.81	-1.32	-89.16
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029885472	0	45	-2.0	-86.92	377.64	-0.32	-87.24
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)N([O-])C=C3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885580	0	43	-2.0	-105.99	375.67	2.51	-103.48
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=NNC(=O)[N-]3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885609	0	39	-2.0	-93.75	339.22	-2.92	-96.67
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=C(O)C=CC=C3Cl)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885613	0	43	-2.0	-95.47	383.72	2.24	-93.23
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=C([O-])C=CC=C3Cl)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885613	1	43	-2.0	-95.47	383.72	2.24	-93.23
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=CN([O-])C3=O)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885618	0	43	-2.0	-108.63	369.90	2.28	-106.35
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=C(F)C=CC(O)=C3F)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885648	0	43	-2.0	-93.15	380.60	1.83	-91.32
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=C(F)C=CC([O-])=C3F)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885648	1	43	-2.0	-93.15	380.60	1.83	-91.32
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(F)=CC=C3O)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885810	0	43	-2.0	-98.15	367.27	2.80	-95.35
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(F)=CC=C3[O-])C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029885810	1	43	-2.0	-98.15	367.27	2.80	-95.35
CC1=CC=NC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)=C1[O-]	REAL300029885877	1	45	-2.0	-101.45	376.46	3.07	-98.38
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CN=CC([O-])=C3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886008	1	42	-2.0	-88.06	353.21	-0.37	-88.43
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=CC(=S)N3[O-])C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886018	0	43	-2.0	-112.75	385.52	2.74	-110.01
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=C([O-])C(Cl)=N3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886146	0	42	-2.0	-84.34	374.44	1.19	-83.15
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=C([O-])C=C3Cl)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886192	1	43	-2.0	-90.70	376.38	2.05	-88.65
N#CC1=CC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)=C([O-])C=C1N	REAL300029886194	0	46	-2.0	-94.57	395.63	0.68	-93.89
O=C(CC1=NC([O-])=CS1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886204	0	42	-2.0	-105.10	374.00	-1.68	-106.78
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=C([O-])C=CC=C3F)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886219	0	43	-2.0	-96.51	374.23	1.86	-94.65
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886221	0	45	-2.0	-93.95	389.26	-1.05	-95.00
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=C(F)C=C3[O-])C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886223	0	43	-2.0	-100.35	367.44	2.80	-97.55
CC1=CC=C(F)C([O-])=C1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886263	0	46	-2.0	-103.33	393.67	2.42	-100.91
O=C(CC1SC(=O)[N-]C1=O)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886338	0	43	-2.0	-88.84	381.96	-2.45	-91.29
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=C([O-])C(F)=C3F)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886364	0	43	-2.0	-93.63	372.88	1.66	-91.97
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=CC(Cl)=C3[O-])C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886371	0	43	-2.0	-101.17	377.19	3.25	-97.92
CC1=CC(=O)C(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)=N[N-]1	REAL300029886402	0	44	-2.0	-92.94	373.15	2.48	-90.46
O=C(C=C([O-])C1=CC=C(O)C=C1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029886406	0	48	-2.0	-104.77	404.56	2.15	-102.62
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=CC(=O)N3[O-])C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886430	0	43	-2.0	-110.48	374.41	2.11	-108.37
N#CC1=CC=C(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C(=O)[N-]1	REAL300029886463	0	43	-2.0	-93.94	383.74	0.12	-93.82
CN1N=C(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)[N-]C1=O	REAL300029886518	0	42	-2.0	-94.54	361.47	-1.12	-95.66
[N-]=[N+]=NC1=CC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)=CC=C1[O-]	REAL300029886544	0	45	-2.0	-88.40	386.09	-0.82	-89.22
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=C(F)C=CC(O)=C3O)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886580	0	44	-2.0	-98.96	385.39	-0.04	-99.00
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=C(F)C=CC(O)=C3[O-])C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886580	1	44	-2.0	-98.96	385.39	-0.04	-99.00
N#CC1=CC=C([O-])C(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)=C1	REAL300029886590	0	44	-2.0	-92.72	382.66	2.85	-89.87
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CN([O-])C(=O)NC3=O)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886692	0	43	-2.0	-93.19	379.57	-0.25	-93.44
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=C(F)C(O)=C3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886751	0	43	-2.0	-95.30	365.38	1.64	-93.66
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=C(F)C([O-])=C3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886751	1	43	-2.0	-95.30	365.38	1.64	-93.66
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=C(Cl)C=C3O)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886771	0	43	-2.0	-100.25	377.75	3.25	-97.00
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=C(Cl)C=C3[O-])C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886771	1	43	-2.0	-100.25	377.75	3.25	-97.00
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886849	0	41	-2.0	-89.56	357.55	-3.74	-93.30
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886849	1	41	-2.0	-88.34	358.88	-3.02	-91.36
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=C4N=NN([O-])C4=C3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886870	0	45	-2.0	-96.21	383.52	0.57	-95.64
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=C(Cl)C(=O)[N-]S3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886901	0	39	-2.0	-91.52	359.93	-0.70	-92.22
NC1=NC=C(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C(=O)[N-]1	REAL300029886919	1	43	-2.0	-96.68	372.65	-1.10	-97.78
CC1=C(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)[N-]C(=O)C(C#N)=C1	REAL300029886945	0	46	-2.0	-84.35	393.48	1.91	-82.44
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=C(F)C([O-])=C3F)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029886962	0	43	-2.0	-102.01	372.84	1.64	-100.37
COC1=NC(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)=CC(=O)[N-]1	REAL300029887013	0	45	-2.0	-92.28	382.35	-2.81	-95.09
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=C4N[N-]N=C4C3=O)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029887014	0	45	-2.0	-99.87	389.27	0.29	-99.58
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=NC=CC(Cl)=C3[O-])C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029887024	0	42	-2.0	-99.82	372.61	2.81	-97.01
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=C(Cl)C([O-])=C3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029887064	0	43	-2.0	-91.67	375.18	2.13	-89.54
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=NC=C3[O-])C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029887074	0	42	-2.0	-100.72	355.31	1.01	-99.71
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029887080	0	39	-2.0	-93.59	339.54	-1.27	-94.86
CC1=C([O-])N=C(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)S1	REAL300029887106	1	42	-2.0	-94.04	370.85	-0.67	-94.71
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C(=O)C3=CC=C([O-])C=C3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029887205	1	45	-2.0	-89.61	382.23	1.86	-87.75
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CN=C(C=N[O-])S3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029887231	0	42	-2.0	-99.50	377.00	-0.33	-99.83
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029887256	1	42	-2.0	-86.51	374.17	2.14	-84.37
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)NC([O-])=C3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029887281	0	43	-2.0	-88.18	375.15	-2.55	-90.73
CCN1[N-]C(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)=CC1=O	REAL300029887345	0	46	-2.0	-95.61	389.63	1.33	-94.28
CN1[N-]C(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)=CC1=O	REAL300029887367	0	43	-2.0	-94.68	367.82	0.40	-94.28
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887379	0	43	-2.0	-91.14	385.11	-1.68	-92.82
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H]2C[C@@H](CNC(=O)C3=CC(=O)[N-]O3)[C@@H]2C1	REAL300029887527	1	43	-2.0	-95.09	368.16	-0.96	-96.05
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=C([O-])C(F)=C3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029887532	1	43	-2.0	-97.29	365.35	1.66	-95.63
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(F)=C([O-])C(F)=C3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029887586	0	43	-2.0	-91.54	370.73	1.54	-90.00
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC=NC(Cl)=C3[O-])C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029887592	0	42	-2.0	-98.59	371.40	1.44	-97.15
CC1=C(CC(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C(=O)N(C)[N-]1	REAL300029887607	0	49	-2.0	-104.44	412.30	1.60	-102.84
CC1=CN=C(C(=O)N2C[C@@H]3C[C@@H](CNC(=O)C4=CC(=O)[N-]O4)[C@@H]3C2)C([O-])=C1	REAL300029887645	1	45	-2.0	-102.85	377.51	3.01	-99.84
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC([O-])=CS3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029887670	0	40	-2.0	-98.63	350.88	0.44	-98.19
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CN([O-])C(=O)C=C3)C[C@@H]12)C1=CC(=O)[N-]O1	REAL300029887686	0	43	-2.0	-103.68	374.91	2.36	-101.32
O=C(NC[C@@H]1C[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]12)C1=CN([O-])C(=O)NC1=O	REAL300029887721	0	43	-2.0	-89.75	370.18	-0.02	-89.77
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C2CC2)[N-]C1=O	REAL300029888193	1	48	-2.0	-87.90	402.50	1.57	-86.33
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NNC(=O)[N-]C1=O	REAL300029888997	0	41	-2.0	-92.40	356.30	-3.47	-95.87
O=C(CN1C(=O)[N-]NC1=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889079	0	43	-2.0	-110.15	371.26	-1.76	-111.91
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)C=C1	REAL300029889671	0	43	-2.0	-129.96	367.75	3.13	-126.83
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)NC([O-])=C1	REAL300029889781	0	43	-2.0	-90.75	367.85	-2.23	-92.98
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=COC(=O)[N-]1	REAL300029889792	1	39	-2.0	-94.27	339.92	-2.39	-96.66
CCN1[N-]C(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029889959	0	46	-2.0	-92.94	389.29	1.25	-91.69
O=C(CC1=CC(=O)N[N-]1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889966	1	43	-2.0	-96.42	367.04	-0.92	-97.34
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=S)N1[O-]	REAL300029889982	0	43	-2.0	-120.95	377.55	4.56	-116.39
O=C(CC1SC(=O)[N-]C1=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029889992	0	43	-2.0	-87.37	378.52	-2.25	-89.62
CN1N=C(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300029890006	0	42	-2.0	-92.89	363.69	-1.36	-94.25
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]N=CC1=O	REAL300029890093	0	41	-2.0	-80.10	350.59	0.62	-79.48
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C2N=NN([O-])C2=C1	REAL300029890126	0	45	-2.0	-114.93	384.78	1.22	-113.71
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N[N-]1	REAL300029890198	0	40	-2.0	-86.66	346.37	-1.54	-88.20
C[PH](C)([O-])C(=O)C(=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890202	0	45	-2.0	-113.03	383.20	0.31	-112.72
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CN([O-])C1=O	REAL300029890235	0	43	-2.0	-99.68	366.52	2.69	-96.99
CC1SC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300029890265	0	42	-2.0	-94.07	373.14	-1.43	-95.50
CC1=C([O-])N=C(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029890265	1	42	-2.0	-94.07	373.14	-1.43	-95.50
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)C=C(Cl)N1	REAL300029890277	0	42	-2.0	-86.80	374.90	1.89	-84.91
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)C=C(Cl)[N-]1	REAL300029890277	1	42	-2.0	-86.80	374.90	1.89	-84.91
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N([O-])C=C1	REAL300029890292	0	43	-2.0	-104.03	369.37	2.52	-101.51
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=O)N1[O-]	REAL300029890330	0	43	-2.0	-117.57	366.44	3.52	-114.05
NC1=NC([O-])=C(CC(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300029890448	0	44	-2.0	-124.57	386.42	-1.90	-126.47
O=C(CC1=NC([O-])=CS1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029890492	0	42	-2.0	-126.87	372.10	-1.45	-128.32
CCC1=NC=C(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300029890509	0	47	-2.0	-94.01	389.81	1.12	-92.89
CCC1=NC=C(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300029890509	1	47	-2.0	-94.01	389.81	1.12	-92.89
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C(Cl)C(=O)[N-]S1	REAL300029890577	0	39	-2.0	-87.75	364.72	-0.17	-87.92
CC1=CC(=O)C(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300029890725	0	44	-2.0	-93.46	373.50	2.40	-91.06
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NNC(=O)[N-]1	REAL300029890739	0	39	-2.0	-92.98	339.24	-2.86	-95.84
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C=N[O-])S1	REAL300029890847	0	42	-2.0	-99.24	382.52	0.11	-99.13
COC1=NC(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC(=O)[N-]1	REAL300029890862	0	45	-2.0	-92.34	385.47	-3.39	-95.73
CN1[N-]C(C(=O)NC2CCCC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300029891019	0	43	-2.0	-89.17	369.10	0.16	-89.01
O=C(CSC1=NNC(=O)[N-]1)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029891026	0	43	-2.0	-105.12	382.57	-1.52	-106.64
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)[N-]C(=O)N1	REAL300029891174	0	41	-2.0	-90.21	359.49	-4.59	-94.80
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)NC(=O)[N-]1	REAL300029891174	1	41	-2.0	-83.93	360.13	-3.85	-87.78
O=C(CN1[N-]C(=O)C=CC1=O)NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300029891318	0	45	-2.0	-127.58	386.85	-0.39	-127.97
O=C(NC1CCCC12CN(C(=O)C1=NC=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029891571	1	42	-2.0	-103.84	357.76	2.20	-101.64
O=C(NC1CCCC12CN(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300029891706	0	41	-2.0	-93.41	358.06	-3.52	-96.93
O=C(CN1C(=O)[N-]NC1=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029891899	0	43	-2.0	-95.80	372.44	-1.67	-97.47
O=C(NC1CCCC12CN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300029892863	1	48	-2.0	-132.42	399.80	2.91	-129.51
O=C(NC1CCCC12CN(C(=O)C1=CC(Cl)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029893551	1	43	-2.0	-99.30	378.86	3.62	-95.68
N#CC1=CC([O-])=CC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029893578	1	44	-2.0	-84.87	382.69	1.97	-82.90
CCC1=NC=C(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029893677	1	47	-2.0	-101.34	390.12	1.78	-99.56
O=C(NC1CCCC12CN(C(=O)C1=COC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029893697	1	39	-2.0	-87.05	341.26	-1.97	-89.02
O=C(C[N-]C(=O)C(F)(F)F)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893774	0	42	-2.0	-89.85	376.88	-1.38	-91.23
NC1=NC([O-])=C(CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)S1	REAL300029893775	0	44	-2.0	-114.96	388.97	-2.21	-117.17
O=C(NC1CCCC12CN(C(=O)C1=C(F)C=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300029893785	0	43	-2.0	-87.20	380.02	2.21	-84.99
O=C(NC1CCCC12CN(C(=O)C1=CC=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300029893801	1	43	-2.0	-90.87	368.65	1.84	-89.03
O=C(NC1CCCC12CN(C(=O)C1=CC([O-])=CC(=O)O1)C2)C1=CC(=O)[N-]O1	REAL300029893807	0	42	-2.0	-87.13	366.89	1.23	-85.90
N#CC1=CC=C(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300029893816	1	44	-2.0	-96.63	381.26	2.05	-94.58
O=C(NC1CCCC12CN(C(=O)C1=CC(Cl)=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029893820	0	42	-2.0	-95.90	371.29	1.86	-94.04
N#CC1=CC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)=C(N)[N-]C1=O	REAL300029893826	0	45	-2.0	-108.11	396.02	-0.78	-108.89
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893843	0	44	-2.0	-107.85	383.66	-2.80	-110.65
CC1=CC=C([O-])C(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)=N1	REAL300029893914	1	45	-2.0	-104.70	379.37	2.79	-101.91
O=C(CCC1=NC(=O)[N-]N1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029893916	1	45	-2.0	-96.73	384.28	-1.75	-98.48
O=C(NC1CCCC12CN(C(=O)C1=C[N-]N=CC1=O)C2)C1=CC(=O)[N-]O1	REAL300029893935	0	41	-2.0	-105.08	348.57	1.53	-103.55
O=C(NC1CCCC12CN(C(=O)C1=CC=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029893946	0	43	-2.0	-122.46	366.66	3.49	-118.97
O=C(NC1CCCC12CN(C(=O)C1=CC=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300029894050	1	43	-2.0	-120.34	366.96	1.98	-118.36
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029894175	0	40	-2.0	-88.05	346.09	-1.40	-89.45
C[PH](C)([O-])C(=O)C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894181	0	45	-2.0	-110.31	377.95	0.29	-110.02
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300029894289	0	43	-2.0	-103.99	367.08	2.19	-101.80
O=C(NC1CCCC12CN(C(=O)C1=NNC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029894318	0	39	-2.0	-115.68	339.56	-2.40	-118.08
O=C(NC1CCCC12CN(C(=O)C1=C(O)C=CC=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300029894322	0	43	-2.0	-95.76	384.57	2.41	-93.35
O=C(NC1CCCC12CN(C(=O)C1=C([O-])C=CC=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300029894322	1	43	-2.0	-95.76	384.57	2.41	-93.35
O=C(NC1CCCC12CN(C(=O)C1=CC=CN([O-])C1=O)C2)C1=CC(=O)[N-]O1	REAL300029894327	0	43	-2.0	-116.39	374.99	2.48	-113.91
O=C(NC1CCCC12CN(C(=O)C1=C(F)C=CC(O)=C1F)C2)C1=CC(=O)[N-]O1	REAL300029894357	0	43	-2.0	-100.02	379.85	2.20	-97.82
O=C(NC1CCCC12CN(C(=O)C1=C(F)C=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300029894357	1	43	-2.0	-100.02	379.85	2.20	-97.82
O=C(NC1CCCC12CN(C(=O)C1=CC(F)=CC=C1O)C2)C1=CC(=O)[N-]O1	REAL300029894519	0	43	-2.0	-98.54	368.54	3.17	-95.37
O=C(NC1CCCC12CN(C(=O)C1=CC(F)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029894519	1	43	-2.0	-98.54	368.54	3.17	-95.37
CC1=CC=NC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)=C1O	REAL300029894586	0	45	-2.0	-103.76	378.10	2.90	-100.86
CC1=CC=NC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300029894586	1	45	-2.0	-103.76	378.10	2.90	-100.86
O=C(NC1CCCC12CN(C(=O)C1=CN=CC(O)=C1)C2)C1=CC(=O)[N-]O1	REAL300029894717	0	42	-2.0	-94.09	356.18	-0.18	-94.27
O=C(NC1CCCC12CN(C(=O)C1=CN=CC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029894717	1	42	-2.0	-94.09	356.18	-0.18	-94.27
O=C(NC1CCCC12CN(C(=O)C1=CC=CC(=S)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300029894727	0	43	-2.0	-134.29	374.62	4.45	-129.84
O=C(NC1CCCC12CN(C(=O)C1=CC=C([O-])C(Cl)=N1)C2)C1=CC(=O)[N-]O1	REAL300029894855	0	42	-2.0	-84.01	376.06	0.99	-83.02
O=C(NC1CCCC12CN(C(=O)C1=CC=C([O-])C=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300029894901	1	43	-2.0	-89.38	376.82	2.29	-87.09
N#CC1=CC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)=C([O-])C=C1N	REAL300029894903	0	46	-2.0	-97.61	395.73	1.58	-96.03
O=C(CC1=NC([O-])=CS1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894913	0	42	-2.0	-107.61	375.47	-1.56	-109.17
O=C(NC1CCCC12CN(C(=O)C1=C([O-])C=CC=C1F)C2)C1=CC(=O)[N-]O1	REAL300029894928	0	43	-2.0	-97.04	375.08	2.03	-95.01
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894930	0	45	-2.0	-97.15	390.73	-0.90	-98.05
O=C(NC1CCCC12CN(C(=O)C1=CC=C(F)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029894932	0	43	-2.0	-101.27	368.40	3.37	-97.90
CC1=CC=C(F)C([O-])=C1C(=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029894972	0	46	-2.0	-99.38	392.92	2.78	-96.60
O=C(CC1SC(=O)[N-]C1=O)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895047	0	43	-2.0	-86.92	382.42	-2.30	-89.22
O=C(NC1CCCC12CN(C(=O)C1=CC=C([O-])C(F)=C1F)C2)C1=CC(=O)[N-]O1	REAL300029895073	0	43	-2.0	-92.59	374.76	1.91	-90.68
O=C(NC1CCCC12CN(C(=O)C1=CC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029895080	0	43	-2.0	-116.55	376.46	3.97	-112.58
CC1=CC(=O)C(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300029895111	0	44	-2.0	-93.58	374.53	2.40	-91.18
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029895115	0	48	-2.0	-107.78	406.45	2.22	-105.56
O=C(NC1CCCC12CN(C(=O)C1=CC=CC(=O)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300029895139	0	43	-2.0	-132.47	363.50	3.42	-129.05
N#CC1=CC=C(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029895172	0	43	-2.0	-108.78	374.21	1.48	-107.30
CN1N=C(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300029895227	0	42	-2.0	-94.83	363.49	-1.20	-96.03
[N-]=[N+]=NC1=CC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)=CC=C1[O-]	REAL300029895253	0	45	-2.0	-85.69	388.87	-0.52	-86.21
O=C(NC1CCCC12CN(C(=O)C1=C(F)C=CC(O)=C1O)C2)C1=CC(=O)[N-]O1	REAL300029895289	0	44	-2.0	-104.24	384.22	0.29	-103.95
O=C(NC1CCCC12CN(C(=O)C1=C(F)C=CC(O)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029895289	1	44	-2.0	-104.24	384.22	0.29	-103.95
N#CC1=CC=C([O-])C(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300029895299	0	44	-2.0	-95.53	383.59	3.49	-92.04
O=C(NC1CCCC12CN(C(=O)C1=CN([O-])C(=O)NC1=O)C2)C1=CC(=O)[N-]O1	REAL300029895401	0	43	-2.0	-91.91	370.54	0.90	-91.01
O=C(NC1CCCC12CN(C(=O)C1=CC=C(F)C(O)=C1)C2)C1=CC(=O)[N-]O1	REAL300029895460	0	43	-2.0	-100.83	367.34	1.67	-99.16
O=C(NC1CCCC12CN(C(=O)C1=CC=C(F)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029895460	1	43	-2.0	-100.83	367.34	1.67	-99.16
O=C(NC1CCCC12CN(C(=O)C1=CC=C(Cl)C=C1O)C2)C1=CC(=O)[N-]O1	REAL300029895480	0	43	-2.0	-101.23	378.72	3.82	-97.41
O=C(NC1CCCC12CN(C(=O)C1=CC=C(Cl)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029895480	1	43	-2.0	-101.23	378.72	3.82	-97.41
O=C(NC1CCCC12CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2)C1=CC(=O)[N-]O1	REAL300029895558	0	41	-2.0	-88.16	358.90	-4.14	-92.30
O=C(NC1CCCC12CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029895558	1	41	-2.0	-84.23	359.50	-3.36	-87.59
O=C(NC1CCCC12CN(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2)C1=CC(=O)[N-]O1	REAL300029895579	0	45	-2.0	-91.41	383.34	0.68	-90.73
O=C(NC1CCCC12CN(C(=O)C1=C(Cl)C(=O)[N-]S1)C2)C1=CC(=O)[N-]O1	REAL300029895610	0	39	-2.0	-104.95	361.11	-0.19	-105.14
NC1=NC=C(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300029895628	1	43	-2.0	-99.64	373.13	-0.98	-100.62
CC1=C(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300029895654	0	46	-2.0	-83.93	395.57	1.58	-82.35
O=C(NC1CCCC12CN(C(=O)C1=CC=C(F)C([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300029895671	0	43	-2.0	-102.08	374.73	1.90	-100.18
COC1=NC(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300029895722	0	45	-2.0	-92.41	385.90	-3.19	-95.60
O=C(NC1CCCC12CN(C(=O)C1=CC=C3N[N-]N=C3C1=O)C2)C1=CC(=O)[N-]O1	REAL300029895723	0	45	-2.0	-97.30	388.86	0.62	-96.68
O=C(NC1CCCC12CN(C(=O)C1=NC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029895733	0	42	-2.0	-99.74	373.97	2.72	-97.02
O=C(NC1CCCC12CN(C(=O)C1=CC=C(Cl)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029895773	0	43	-2.0	-96.97	377.13	2.17	-94.80
O=C(NC1CCCC12CN(C(=O)C1=CC=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029895783	0	42	-2.0	-113.79	353.47	1.68	-112.11
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)[N-]O1	REAL300029895789	0	39	-2.0	-90.92	341.11	-1.08	-92.00
CC1=C([O-])N=C(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)S1	REAL300029895815	1	42	-2.0	-92.70	372.74	-0.99	-93.69
O=C(NC1CCCC12CN(C(=O)C(=O)C1=CC=C([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300029895914	1	45	-2.0	-111.31	382.56	2.36	-108.95
O=C(NC1CCCC12CN(C(=O)C1=CN=C(C=N[O-])S1)C2)C1=CC(=O)[N-]O1	REAL300029895940	0	42	-2.0	-115.00	378.45	0.35	-114.65
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300029895965	1	42	-2.0	-85.06	375.77	2.02	-83.04
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)NC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300029895990	0	43	-2.0	-86.29	367.46	-2.75	-89.04
CCN1[N-]C(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029896054	0	46	-2.0	-91.82	390.63	1.23	-90.59
CN1[N-]C(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029896076	0	43	-2.0	-90.88	369.61	0.26	-90.62
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029896088	0	43	-2.0	-91.60	385.33	-1.59	-93.19
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)CCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300029896236	1	43	-2.0	-96.76	367.43	-0.63	-97.39
O=C(NC1CCCC12CN(C(=O)C1=CC=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300029896241	1	43	-2.0	-93.11	367.29	1.71	-91.40
O=C(NC1CCCC12CN(C(=O)C1=CC(F)=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300029896295	0	43	-2.0	-119.04	372.21	2.24	-116.80
O=C(NC1CCCC12CN(C(=O)C1=CC=NC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300029896301	0	42	-2.0	-100.58	370.60	1.89	-98.69
CC1=C(CC(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300029896316	0	49	-2.0	-97.02	410.31	1.78	-95.24
CC1=CN=C(C(=O)N2CC3(C2)CCCC3NC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300029896354	1	45	-2.0	-105.38	379.22	2.84	-102.54
O=C(NC1CCCC12CN(C(=O)C1=CC([O-])=CS1)C2)C1=CC(=O)[N-]O1	REAL300029896379	0	40	-2.0	-97.72	354.05	0.70	-97.02
O=C(NC1CCCC12CN(C(=O)C1=CN([O-])C(=O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300029896395	0	43	-2.0	-103.68	366.67	2.19	-101.49
O=C(NC1CCCC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)NC1=O	REAL300029896428	0	43	-2.0	-87.43	371.78	0.16	-87.27
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300029896979	1	44	-2.0	-98.77	371.38	0.67	-98.10
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	REAL300029897286	0	44	-2.0	-82.76	378.45	-0.99	-83.75
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCN1C(=O)[N-]NC1=O	REAL300029897836	0	45	-2.0	-99.72	383.68	-1.68	-101.40
CC(C)CN1[N-]C(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=CC1=O	REAL300029898033	0	51	-2.0	-106.53	418.12	2.08	-104.45
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1=NNC(=O)[N-]C1=O	REAL300029898127	0	43	-2.0	-96.88	372.17	-4.41	-101.29
CC(=O)[N-]C1=NC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=CS1	REAL300029898128	1	41	-2.0	-93.44	365.54	-0.89	-94.33
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300029898342	1	44	-2.0	-106.00	377.82	-0.20	-106.20
COC1=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)NC(=O)[N-]C1=O	REAL300029898487	1	42	-2.0	-95.99	361.51	-3.18	-99.17
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300029898638	0	37	-2.0	-98.04	327.83	-4.55	-102.59
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1C(=O)[N-]NC1=O	REAL300029898780	0	39	-2.0	-105.71	341.16	-2.88	-108.59
CC1=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=O)[N-]C(C(C)C)=N1	REAL300029898823	1	49	-2.0	-99.00	397.52	1.05	-97.95
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300029898961	0	43	-2.0	-100.75	375.39	0.07	-100.68
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1[N-]C(=O)C(F)(F)C(F)(F)C(F)F	REAL300029899858	0	37	-2.0	-94.30	340.51	0.75	-93.55
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300029899875	0	39	-2.0	-108.38	338.83	1.67	-106.71
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300029900082	0	39	-2.0	-90.75	339.48	-3.29	-94.04
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=COC(=O)[N-]1	REAL300029900098	1	35	-2.0	-91.58	311.45	-3.46	-95.04
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300029900161	1	47	-2.0	-98.38	387.24	1.23	-97.15
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1[N-]C(=O)C(F)(F)C(F)(F)F	REAL300029900249	0	34	-2.0	-91.32	315.73	0.06	-91.26
CCN1[N-]C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=CC1=O	REAL300029900382	0	42	-2.0	-95.62	360.73	0.23	-95.39
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=CC(=O)N[N-]1	REAL300029900393	1	39	-2.0	-103.68	336.15	-1.84	-105.52
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC(=S)N1[O-]	REAL300029900420	0	39	-2.0	-128.70	347.38	3.69	-125.01
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1SC(=O)[N-]C1=O	REAL300029900439	0	39	-2.0	-91.95	349.19	-3.31	-95.26
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300029900459	0	38	-2.0	-98.62	333.52	-2.19	-100.81
CC1=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=O)NC(C2CC2)=N1	REAL300029900591	0	47	-2.0	-99.67	387.71	1.27	-98.40
CC1=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=O)[N-]C(C2CC2)=N1	REAL300029900591	1	47	-2.0	-99.67	387.71	1.27	-98.40
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300029900607	0	37	-2.0	-85.28	320.50	-0.32	-85.60
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300029900651	0	41	-2.0	-106.16	355.38	0.18	-105.98
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300029900778	0	36	-2.0	-91.93	316.18	-2.42	-94.35
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300029900783	0	41	-2.0	-95.54	350.43	-0.99	-96.53
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CN([O-])C1=O	REAL300029900837	0	39	-2.0	-102.68	336.49	1.82	-100.86
CSC1=NC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=O)[N-]1	REAL300029900863	1	41	-2.0	-91.95	362.64	-0.35	-92.30
CC1=C([O-])N=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)S1	REAL300029900891	1	38	-2.0	-97.49	342.82	-2.35	-99.84
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029900915	1	38	-2.0	-88.74	346.40	0.87	-87.87
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300029900943	0	39	-2.0	-108.41	339.20	1.65	-106.76
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300029901018	0	39	-2.0	-125.42	336.27	2.65	-122.77
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N-]C(=O)C(F)(F)F	REAL300029901236	0	38	-2.0	-92.96	346.40	-2.59	-95.55
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=C([O-])N=C(N)S1	REAL300029901237	0	40	-2.0	-107.41	357.60	-3.43	-110.84
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=NC([O-])=CS1	REAL300029901316	0	38	-2.0	-110.71	341.93	-2.61	-113.32
CCC1=NC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=O)[N-]1	REAL300029901348	1	43	-2.0	-91.32	361.39	0.11	-91.21
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1N=CC(=O)[N-]C1=O	REAL300029901362	0	40	-2.0	-100.56	351.50	-3.99	-104.55
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C(Cl)C(=O)[N-]S1	REAL300029901462	0	35	-2.0	-92.48	333.75	-1.10	-93.58
COCC1=NC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=O)N1	REAL300029901602	0	44	-2.0	-92.26	374.33	-1.66	-93.92
COCC1=NC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=O)[N-]1	REAL300029901602	1	44	-2.0	-92.26	374.33	-1.66	-93.92
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN=C(CC2CC2)NC1=O	REAL300029901617	0	47	-2.0	-91.34	392.31	1.71	-89.63
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN=C(CC2CC2)[N-]C1=O	REAL300029901617	1	47	-2.0	-91.34	392.31	1.71	-89.63
CC1=CC(=O)C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=N[N-]1	REAL300029901725	0	40	-2.0	-96.95	344.97	1.36	-95.59
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NNC(=O)[N-]1	REAL300029901748	0	35	-2.0	-95.47	310.74	-3.87	-99.34
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029901778	0	40	-2.0	-90.30	353.44	0.61	-89.69
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029901778	1	40	-2.0	-90.30	353.44	0.61	-89.69
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN=C(C=N[O-])S1	REAL300029901941	0	38	-2.0	-102.12	351.63	-0.83	-102.95
COC1=NC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)=CC(=O)[N-]1	REAL300029901962	0	41	-2.0	-96.25	356.97	-4.40	-100.65
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300029902227	0	39	-2.0	-99.21	338.22	-0.75	-99.96
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300029902237	1	42	-2.0	-113.38	360.92	-0.35	-113.73
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300029902241	0	39	-2.0	-98.26	352.46	-2.63	-100.89
CC1=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C)C(=S)[N-]C(=O)N1	REAL300029902242	1	41	-2.0	-96.17	367.52	-1.29	-97.46
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029902507	0	37	-2.0	-93.20	329.37	-5.46	-98.66
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029902507	1	37	-2.0	-93.16	329.25	-4.76	-97.92
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300029902607	0	41	-2.0	-99.14	362.37	-6.33	-105.47
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300029902607	1	41	-2.0	-95.85	362.29	-6.33	-102.18
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300029902786	0	41	-2.0	-106.02	357.27	-1.89	-107.91
C[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903031	1	38	-2.0	-101.59	327.49	1.57	-100.02
C[C@@H]1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903161	1	44	-2.0	-95.30	380.83	-0.11	-95.41
CC(=O)[N-]C1=NC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029903179	1	41	-2.0	-90.33	365.75	-0.32	-90.65
C[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903220	0	37	-2.0	-93.38	327.24	-4.21	-97.59
COC1=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029903290	1	42	-2.0	-96.57	358.56	-2.95	-99.52
C[C@@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903503	0	39	-2.0	-98.42	344.02	-2.83	-101.25
C[C@@H]1CN(C(=O)CN2[N-]C=C3C2=NC=NC3=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029903573	0	43	-2.0	-97.78	377.57	0.06	-97.72
C[C@@H]1CN(C(=O)CCCN2C(=O)[N-]NC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029904771	0	45	-2.0	-97.56	386.57	-1.60	-99.16
CC(C)CN1[N-]C(CC(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029904982	0	51	-2.0	-102.64	420.93	2.16	-100.48
C[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905042	1	44	-2.0	-112.33	381.18	0.33	-112.00
C[C@@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029905296	0	44	-2.0	-87.77	375.53	-0.29	-88.06
CC1=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C(C)C)=N1	REAL300029905851	1	49	-2.0	-97.47	408.65	0.79	-96.68
C[C@@H]1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906197	0	43	-2.0	-94.86	374.27	-4.33	-99.19
C[C@@H]1CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906207	0	41	-2.0	-94.51	356.06	2.51	-92.00
C[C@@H]1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906226	1	39	-2.0	-95.40	349.89	2.44	-92.96
C[C@@H]1CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906267	1	40	-2.0	-92.43	350.88	1.07	-91.36
C[C@@H]1CN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906304	0	41	-2.0	-112.05	360.70	0.57	-111.48
C[C@@H]1CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906376	0	41	-2.0	-98.65	359.18	3.41	-95.24
CCC1=NC=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029906415	1	43	-2.0	-107.63	370.51	-0.24	-107.87
C[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906445	1	35	-2.0	-94.52	310.99	-2.36	-96.88
C[C@@H]1CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906542	0	41	-2.0	-114.83	361.38	2.10	-112.73
C[C@@H]1CN(C(=O)C[N-]C(=O)C(F)(F)F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906562	0	38	-2.0	-94.69	348.47	-2.55	-97.24
C[C@@H]1CN(C(=O)CC2=C([O-])N=C(N)S2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906563	0	40	-2.0	-104.10	360.52	-3.23	-107.33
C[C@@H]1CN(C(=O)C2=C(F)C=C([O-])C=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906576	0	39	-2.0	-89.75	352.36	1.21	-88.54
C[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906609	1	39	-2.0	-100.27	337.80	0.78	-99.49
C[C@@H]1CN(C(=O)C2=CC([O-])=C3SC=CC3=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906620	1	42	-2.0	-102.28	366.86	2.08	-100.20
C[C@@H]1CN(C(=O)C2=CC([O-])=CC(=O)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906623	0	38	-2.0	-92.76	336.05	0.27	-92.49
C[C@@H]1CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906638	1	40	-2.0	-95.39	350.04	1.17	-94.22
C[C@@H]1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906644	0	38	-2.0	-91.54	345.01	0.46	-91.08
C[C@@H]1CN(C(=O)C2=C(N)[N-]C(=O)C(C#N)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906653	0	41	-2.0	-90.83	367.55	-1.81	-92.64
C[C@@H]1CN(C(=O)CN2N=CC(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906674	0	40	-2.0	-97.89	354.36	-3.95	-101.84
CC1=CC=C([O-])C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029906787	1	41	-2.0	-105.94	348.64	2.18	-103.76
C[C@@H]1CN(C(=O)CCC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906791	0	41	-2.0	-92.31	355.20	-2.11	-94.42
C[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906820	0	37	-2.0	-87.94	329.50	-0.47	-88.41
C[C@@H]1CN(C(=O)C2=CC=CC(F)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906835	0	39	-2.0	-115.17	338.35	2.13	-113.04
C[C@@H]1CN(C(=O)C2=CC=CC([O-])=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029906993	1	39	-2.0	-111.96	338.59	0.83	-111.13
C[C@@H]1CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907091	0	41	-2.0	-95.22	356.10	2.47	-92.75
C[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907170	0	36	-2.0	-95.68	315.08	-2.18	-97.86
C[C@@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907178	0	41	-2.0	-92.08	350.30	-0.89	-92.97
C[C@@H]1CN(C(=O)C(=O)C=C([O-])C2=CC=CC=N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907213	0	44	-2.0	-108.31	383.79	2.55	-105.76
C[C@@H]1CN(C(=O)C2=CN=C(CC3CC3)NC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907237	0	47	-2.0	-110.85	401.01	1.34	-109.51
C[C@@H]1CN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907237	1	47	-2.0	-110.85	401.01	1.34	-109.51
COCC1=NC=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029907263	0	44	-2.0	-107.37	383.44	-1.99	-109.36
COCC1=NC=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029907263	1	44	-2.0	-107.37	383.44	-1.99	-109.36
CC1=CC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300029907273	0	44	-2.0	-93.42	375.89	3.27	-90.15
C[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907339	0	39	-2.0	-108.22	346.26	1.67	-106.55
C[C@@H]1CN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907380	0	39	-2.0	-92.34	352.16	1.09	-91.25
C[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907382	0	35	-2.0	-94.13	310.78	-3.02	-97.15
C[C@@H]1CN(C(=O)C2=C(O)C=CC=C2Cl)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907387	0	39	-2.0	-103.90	355.34	1.58	-102.32
C[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2Cl)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907387	1	39	-2.0	-103.90	355.34	1.58	-102.32
C[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907397	0	39	-2.0	-106.11	345.99	1.60	-104.51
C[C@@H]1CN(C(=O)C2=C(F)C=CC(O)=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907446	0	39	-2.0	-109.21	351.75	1.06	-108.15
C[C@@H]1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907446	1	39	-2.0	-109.21	351.75	1.06	-108.15
C[C@@H]1CN(C(=O)CN2C=C(C#N)C(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907607	0	42	-2.0	-98.38	378.83	-1.58	-99.96
C[C@@H]1CN(C(=O)C2=CC(F)=CC=C2O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907693	0	39	-2.0	-95.39	339.58	1.99	-93.40
C[C@@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907693	1	39	-2.0	-95.39	339.58	1.99	-93.40
CC1=CC=NC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1O	REAL300029907809	0	41	-2.0	-105.14	347.38	2.28	-102.86
CC1=CC=NC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029907809	1	41	-2.0	-105.14	347.38	2.28	-102.86
C[C@@H]1CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029907878	0	39	-2.0	-95.97	355.53	2.50	-93.47
C[C@@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908019	1	38	-2.0	-95.31	325.09	-1.09	-96.40
C[C@@H]1CN(C(=O)C2=CC=CC(=S)N2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908035	0	39	-2.0	-137.47	356.39	1.98	-135.49
C[C@@H]1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908210	1	47	-2.0	-112.58	396.94	0.88	-111.70
C[C@@H]1CN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908229	1	41	-2.0	-97.90	358.59	-0.78	-98.68
C[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908234	0	38	-2.0	-89.75	345.79	0.40	-89.35
C[C@@H]1CN(C(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2N)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908312	0	43	-2.0	-99.21	371.83	0.83	-98.38
C[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2Cl)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908319	1	39	-2.0	-99.17	347.20	1.24	-97.93
C[C@@H]1CN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908322	0	42	-2.0	-104.17	365.92	0.37	-103.80
C[C@@H]1CN(C(=O)CC2=NC([O-])=CS2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908337	0	38	-2.0	-105.33	344.86	-2.48	-107.81
C[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908365	0	39	-2.0	-104.46	345.85	1.20	-103.26
C[C@@H]1CN(C(=O)CN2[N-]C(=O)C=CC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908369	0	41	-2.0	-101.53	360.12	-1.85	-103.38
C[C@@H]1CN(C(=O)C2=CC=C(F)C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908374	0	39	-2.0	-108.54	337.54	2.10	-106.44
CC1=CC=C(F)C([O-])=C1C(=O)N1C[C@@H](C)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029908434	0	42	-2.0	-111.92	365.26	1.76	-110.16
C[C@@H]1CN(C(=O)CC2SC(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908547	0	39	-2.0	-89.66	352.20	-3.19	-92.85
C[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908581	0	39	-2.0	-91.97	345.91	1.05	-90.92
C[C@@H]1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908585	1	40	-2.0	-87.50	361.87	-0.38	-87.88
C[C@@H]1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908592	0	39	-2.0	-109.53	348.15	2.60	-106.93
CC1=CC(=O)C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029908636	0	40	-2.0	-95.35	344.44	1.65	-93.70
C[C@@H]1CN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908641	0	44	-2.0	-105.40	376.82	1.30	-104.10
C[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908680	0	39	-2.0	-132.32	345.28	1.34	-130.98
C[C@@H]1CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908730	0	39	-2.0	-88.90	355.53	-0.65	-89.55
C[C@@H]1CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908731	0	41	-2.0	-94.74	366.07	-6.14	-100.88
C[C@@H]1CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908731	1	41	-2.0	-88.68	366.01	-6.08	-94.76
C[C@@H]1CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908763	0	41	-2.0	-89.31	358.64	2.42	-86.89
C[C@@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908813	0	38	-2.0	-101.75	332.69	-2.01	-103.76
C[C@@H]1CN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908860	0	41	-2.0	-90.97	361.97	-1.25	-92.22
C[C@@H]1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908907	1	40	-2.0	-111.90	356.12	-0.84	-112.74
C[C@@H]1CN(C(=O)C2=CC=C(C#N)C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908908	0	40	-2.0	-105.80	351.94	2.43	-103.37
C[C@@H]1CN(C(=O)C2=CC(C#N)=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029908922	0	40	-2.0	-93.54	354.00	2.37	-91.17
C[C@@H]1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909085	0	39	-2.0	-95.44	351.09	-0.96	-96.40
C[C@@H]1CN(C(=O)C2=CC=C(F)C(O)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909169	0	39	-2.0	-98.93	336.33	0.72	-98.21
C[C@@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909169	1	39	-2.0	-98.93	336.33	0.72	-98.21
C[C@@H]1CN(C(=O)C2=C(O)C3=NC=CC=C3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909179	0	44	-2.0	-107.36	374.08	2.45	-104.91
C[C@@H]1CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909179	1	44	-2.0	-107.36	374.08	2.45	-104.91
C[C@@H]1CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909183	0	41	-2.0	-105.38	359.29	2.70	-102.68
C[C@@H]1CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909187	0	41	-2.0	-97.94	360.33	2.74	-95.20
C[C@@H]1CN(C(=O)C2=CC=C(Cl)C=C2O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909201	0	39	-2.0	-108.39	347.87	2.55	-105.84
C[C@@H]1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909201	1	39	-2.0	-108.39	347.87	2.55	-105.84
C[C@@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909342	0	37	-2.0	-100.62	328.20	-4.63	-105.25
C[C@@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909342	1	37	-2.0	-93.60	328.81	-3.87	-97.47
C[C@@H]1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909392	0	41	-2.0	-102.44	352.34	-0.28	-102.72
C[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909441	1	44	-2.0	-110.37	372.26	3.94	-106.43
C[C@@H]1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909442	0	35	-2.0	-91.53	331.04	-1.26	-92.79
C[C@@H]1CN(C(=O)C2=CN=C(N)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909471	1	39	-2.0	-110.71	343.46	-1.93	-112.64
CC1=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029909514	0	42	-2.0	-92.93	365.19	1.04	-91.89
C[C@@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909543	0	39	-2.0	-96.84	345.86	1.02	-95.82
C[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909616	0	39	-2.0	-92.45	352.07	1.37	-91.08
C[C@@H]1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909625	1	40	-2.0	-90.27	360.89	0.58	-89.69
COC1=NC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029909632	0	41	-2.0	-93.01	354.62	-3.61	-96.62
C[C@@H]1CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909635	0	41	-2.0	-91.32	360.43	-0.40	-91.72
C[C@@H]1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909648	0	38	-2.0	-100.96	343.24	2.11	-98.85
C[C@@H]1CN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909655	1	42	-2.0	-96.80	376.91	2.45	-94.35
C[C@@H]1CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909707	0	39	-2.0	-95.33	346.13	1.23	-94.10
C[C@@H]1CN(C(=O)C2=CC=NC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909719	0	38	-2.0	-95.59	328.23	-0.11	-95.70
C[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909729	0	35	-2.0	-100.05	310.19	-2.03	-102.08
CC1=C([O-])N=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029909780	1	38	-2.0	-102.20	342.76	-1.54	-103.74
C[C@@H]1CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909842	1	45	-2.0	-102.16	384.75	3.36	-98.80
C[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909861	1	45	-2.0	-102.45	378.21	4.30	-98.15
C[C@@H]1CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909870	1	45	-2.0	-119.31	378.28	4.34	-114.97
C[C@@H]1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909929	1	41	-2.0	-91.38	353.47	1.01	-90.37
C[C@@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029909969	0	38	-2.0	-100.97	348.68	-0.98	-101.95
C[C@@H]1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910007	1	38	-2.0	-87.37	345.47	1.39	-85.98
CSC1=NC=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029910038	1	41	-2.0	-111.11	371.66	-0.71	-111.82
C[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910048	0	39	-2.0	-90.93	346.39	-3.24	-94.17
CCN1[N-]C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029910146	0	42	-2.0	-98.90	359.63	0.47	-98.43
C[C@@H]1CN(C(=O)CNC(=O)C2=NC=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910158	1	45	-2.0	-102.95	390.15	-0.35	-103.30
C[C@@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910172	0	39	-2.0	-97.94	337.82	-0.46	-98.40
C[C@@H]1CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910186	1	42	-2.0	-97.48	365.55	-1.05	-98.53
C[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910191	0	39	-2.0	-92.57	356.16	-2.46	-95.03
CC1=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029910193	1	41	-2.0	-96.12	367.54	-1.06	-97.18
CC1=C(C(=O)N2C[C@@H](C)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300029910204	1	47	-2.0	-98.14	398.83	0.99	-97.15
C[C@@H]1CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910271	1	44	-2.0	-107.18	379.39	1.46	-105.72
C[C@@H]1CN(C(=O)CC2=CC(=O)N[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910399	1	39	-2.0	-95.09	339.86	-1.64	-96.73
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C[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910480	0	39	-2.0	-97.47	342.51	0.80	-96.67
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C[C@@H]1CN(C(=O)CCC(=O)C2=CC=C([O-])C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910523	1	47	-2.0	-95.42	401.36	2.48	-92.94
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C[C@@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029910612	0	36	-2.0	-104.70	322.65	-0.25	-104.95
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C[PH](C)([O-])C(=O)C(=O)N1CCC2CCN(C(=O)C3=CC(=O)[N-]O3)CC2C1	REAL300029915135	0	48	-2.0	-98.20	385.70	1.12	-97.08
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CC1=CC=NC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)=C1[O-]	REAL300029915383	1	48	-2.0	-107.96	379.19	4.53	-103.43
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CN1N=C(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)[N-]C1=O	REAL300029915744	0	45	-2.0	-105.83	363.72	0.35	-105.48
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NC1=NC=C(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)C(=O)[N-]1	REAL300029915981	1	46	-2.0	-102.10	367.24	0.33	-101.77
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CC1SC(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)=NC1=O	REAL300029916095	0	45	-2.0	-95.81	373.08	0.96	-94.85
CC1=C([O-])N=C(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)S1	REAL300029916095	1	45	-2.0	-95.81	373.08	0.96	-94.85
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CCN1[N-]C(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)=CC1=O	REAL300029916257	0	49	-2.0	-101.48	390.80	2.83	-98.65
CN1[N-]C(C(=O)N2CCC3CCN(C(=O)C4=CC(=O)[N-]O4)CC3C2)=CC1=O	REAL300029916273	0	46	-2.0	-101.01	368.99	1.89	-99.12
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O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC(=O)NC([O-])=C1	REAL300029918855	0	43	-2.0	-87.34	363.20	-2.11	-89.45
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=COC(=O)[N-]1	REAL300029918866	1	39	-2.0	-91.11	335.19	-2.26	-93.37
O=C([N-]CC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C(F)(F)C(F)(F)F	REAL300029918969	1	38	-2.0	-87.38	343.01	1.38	-86.00
CCN1[N-]C(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)=CC1=O	REAL300029919059	0	46	-2.0	-91.33	384.51	1.23	-90.10
O=C(CC1=CC(=O)N[N-]1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919067	1	43	-2.0	-101.94	360.63	-0.63	-102.57
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC=CC(=S)N1[O-]	REAL300029919087	0	43	-2.0	-129.86	371.32	4.82	-125.04
O=C(CC1SC(=O)[N-]C1=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919098	0	43	-2.0	-90.04	373.78	-2.12	-92.16
CN1N=C(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)[N-]C1=O	REAL300029919115	0	42	-2.0	-104.60	358.44	-1.27	-105.87
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=C[N-]N=CC1=O	REAL300029919212	0	41	-2.0	-80.13	344.23	0.78	-79.35
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC=C2N=NN([O-])C2=C1	REAL300029919248	0	45	-2.0	-104.66	379.20	1.21	-103.45
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC(=O)N[N-]1	REAL300029919333	0	40	-2.0	-87.57	339.97	-1.41	-88.98
C[PH](C)([O-])C(=O)C(=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919338	0	45	-2.0	-87.64	373.10	-0.05	-87.69
O=C(CCC1=NC(=O)NN1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919370	0	45	-2.0	-98.42	375.89	-1.58	-100.00
O=C(CCC1=NC(=O)[N-]N1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919370	1	45	-2.0	-98.42	375.89	-1.58	-100.00
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC=CN([O-])C1=O	REAL300029919375	0	43	-2.0	-96.36	360.54	2.84	-93.52
CC1SC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)=NC1=O	REAL300029919410	0	42	-2.0	-91.99	366.54	-1.11	-93.10
CC1=C([O-])N=C(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)S1	REAL300029919410	1	42	-2.0	-91.99	366.54	-1.11	-93.10
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC(=O)C=C(Cl)N1	REAL300029919424	0	42	-2.0	-88.44	370.17	2.03	-86.41
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC(=O)C=C(Cl)[N-]1	REAL300029919424	1	42	-2.0	-88.44	370.17	2.03	-86.41
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC(=O)N([O-])C=C1	REAL300029919444	0	43	-2.0	-105.90	363.58	2.66	-103.24
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC=CC(=O)N1[O-]	REAL300029919487	0	43	-2.0	-126.07	360.21	3.78	-122.29
NC1=NC([O-])=C(CC(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)S1	REAL300029919626	0	44	-2.0	-111.29	381.42	-2.23	-113.52
O=C(CC1=NC([O-])=CS1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029919678	0	42	-2.0	-112.87	366.48	-1.33	-114.20
CCC1=NC=C(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C(=O)N1	REAL300029919699	0	47	-2.0	-85.57	385.45	1.12	-84.45
CCC1=NC=C(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)C(=O)[N-]1	REAL300029919699	1	47	-2.0	-85.57	385.45	1.12	-84.45
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=C(Cl)C(=O)[N-]S1	REAL300029919775	0	39	-2.0	-89.54	357.66	0.03	-89.51
CC1=CC(=O)C(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)=N[N-]1	REAL300029919950	0	44	-2.0	-97.44	368.72	2.53	-94.91
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=NC(=O)N[N-]1	REAL300029919966	0	39	-2.0	-86.98	334.59	-2.52	-89.50
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CN=C(C=N[O-])S1	REAL300029920100	0	42	-2.0	-100.13	375.37	0.36	-99.77
COC1=NC(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)=CC(=O)[N-]1	REAL300029920116	0	45	-2.0	-100.77	381.84	-3.48	-104.25
CN1[N-]C(C(=O)NCC23CC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)=CC1=O	REAL300029920295	0	43	-2.0	-90.44	362.78	0.30	-90.14
O=C(CSC1=NNC(=O)[N-]1)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920303	0	43	-2.0	-94.09	376.95	-1.42	-95.51
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=NC(=O)[N-]C(=O)N1	REAL300029920478	0	41	-2.0	-88.01	353.12	-4.29	-92.30
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=NC(=O)NC(=O)[N-]1	REAL300029920478	1	41	-2.0	-83.60	354.15	-3.67	-87.27
O=C(CN1[N-]C(=O)C=CC1=O)NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300029920647	0	45	-2.0	-100.22	381.88	-0.70	-100.92
O=C(NCC12CC1N(C(=O)C1=NC=CC=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029920901	1	42	-2.0	-98.11	352.02	2.73	-95.38
O=C(NCC12CC1N(C(=O)C1=NNC(=O)[N-]C1=O)CCC2)C1=CC(=O)[N-]O1	REAL300029921025	0	41	-2.0	-90.71	351.66	-3.11	-93.82
O=C(CN1C(=O)[N-]NC1=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029921190	0	43	-2.0	-101.39	369.39	-1.74	-103.13
O=C(NCC12CC1N(C(=O)C1=CN=C(C3CC3)[N-]C1=O)CCC2)C1=CC(=O)[N-]O1	REAL300029922008	1	48	-2.0	-94.69	404.97	1.50	-93.19
O=C(NCC12CC1N(C(=O)C1=CC(Cl)=CC=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029922570	1	43	-2.0	-95.26	374.03	2.92	-92.34
N#CC1=CC([O-])=CC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)=C1	REAL300029922595	1	44	-2.0	-85.38	378.07	2.30	-83.08
CCC1=NC=C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C(=O)[N-]1	REAL300029922674	1	47	-2.0	-93.18	394.05	0.82	-92.36
O=C(NCC12CC1N(C(=O)C1=COC(=O)[N-]1)CCC2)C1=CC(=O)[N-]O1	REAL300029922691	1	39	-2.0	-87.60	334.83	-0.97	-88.57
O=C(C[N-]C(=O)C(F)(F)F)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922765	0	42	-2.0	-85.71	372.98	-1.30	-87.01
NC1=NC([O-])=C(CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)S1	REAL300029922766	0	44	-2.0	-108.11	385.05	-2.24	-110.35
O=C(NCC12CC1N(C(=O)C1=CC=C([O-])C=C1F)CCC2)C1=CC(=O)[N-]O1	REAL300029922787	1	43	-2.0	-89.95	363.57	1.92	-88.03
O=C(NCC12CC1N(C(=O)C1=CC([O-])=CC(=O)O1)CCC2)C1=CC(=O)[N-]O1	REAL300029922793	0	42	-2.0	-87.99	360.38	1.35	-86.64
N#CC1=CC=C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C=C1[O-]	REAL300029922801	1	44	-2.0	-93.05	377.70	2.27	-90.78
O=C(NCC12CC1N(C(=O)C1=CC(Cl)=NC=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029922805	0	42	-2.0	-91.56	369.20	0.87	-90.69
N#CC1=CC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)=C(N)[N-]C1=O	REAL300029922808	0	45	-2.0	-85.32	391.88	-0.91	-86.23
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029922822	0	44	-2.0	-95.97	378.77	-2.82	-98.79
CC1=CC=C([O-])C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)=N1	REAL300029922886	1	45	-2.0	-98.67	373.23	3.33	-95.34
O=C(NCC12CC1N(C(=O)C1=C[N-]N=CC1=O)CCC2)C1=CC(=O)[N-]O1	REAL300029922905	0	41	-2.0	-86.72	353.88	0.54	-86.18
O=C(NCC12CC1N(C(=O)C1=CC=CC(F)=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029922913	0	43	-2.0	-102.92	364.74	3.00	-99.92
O=C(NCC12CC1N(C(=O)C1=CC=CC([O-])=C1F)CCC2)C1=CC(=O)[N-]O1	REAL300029923006	1	43	-2.0	-99.21	364.97	1.97	-97.24
O=C(NCC12CC1N(C(=O)C1=CC(=O)N[N-]1)CCC2)C1=CC(=O)[N-]O1	REAL300029923111	0	40	-2.0	-86.36	339.91	-1.01	-87.37
C[PH](C)([O-])C(=O)C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923116	0	45	-2.0	-85.67	379.00	0.06	-85.61
O=C(NCC12CC1N(C(=O)C1=CC(=O)N([O-])C=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029923207	0	43	-2.0	-101.30	369.91	2.66	-98.64
O=C(NCC12CC1N(C(=O)C1=NC(=O)N[N-]1)CCC2)C1=CC(=O)[N-]O1	REAL300029923236	0	39	-2.0	-87.48	334.52	-1.50	-88.98
O=C(NCC12CC1N(C(=O)C1=CC=CN([O-])C1=O)CCC2)C1=CC(=O)[N-]O1	REAL300029923242	0	43	-2.0	-108.19	369.66	2.66	-105.53
O=C(NCC12CC1N(C(=O)C1=CC(F)=CC=C1O)CCC2)C1=CC(=O)[N-]O1	REAL300029923399	0	43	-2.0	-94.74	363.72	2.47	-92.27
O=C(NCC12CC1N(C(=O)C1=CC(F)=CC=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029923399	1	43	-2.0	-94.74	363.72	2.47	-92.27
CC1=CC=NC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)=C1O	REAL300029923461	0	45	-2.0	-97.88	371.94	3.44	-94.44
CC1=CC=NC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)=C1[O-]	REAL300029923461	1	45	-2.0	-97.88	371.94	3.44	-94.44
O=C(NCC12CC1N(C(=O)C1=CN=CC(O)=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029923576	0	42	-2.0	-91.62	352.33	-0.02	-91.64
O=C(NCC12CC1N(C(=O)C1=CN=CC([O-])=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029923576	1	42	-2.0	-91.62	352.33	-0.02	-91.64
O=C(NCC12CC1N(C(=O)C1=CC=CC(=S)N1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029923586	0	43	-2.0	-109.96	381.49	3.08	-106.88
O=C(NCC12CC1N(C(=O)C1=CC=C([O-])C(Cl)=N1)CCC2)C1=CC(=O)[N-]O1	REAL300029923699	0	42	-2.0	-86.34	370.23	1.69	-84.65
O=C(NCC12CC1N(C(=O)C1=CC=C(O)C=C1Cl)CCC2)C1=CC(=O)[N-]O1	REAL300029923743	0	43	-2.0	-89.05	372.29	2.34	-86.71
O=C(NCC12CC1N(C(=O)C1=CC=C([O-])C=C1Cl)CCC2)C1=CC(=O)[N-]O1	REAL300029923743	1	43	-2.0	-89.05	372.29	2.34	-86.71
N#CC1=CC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)=C([O-])C=C1N	REAL300029923744	0	46	-2.0	-93.56	391.05	0.75	-92.81
O=C(CC1=NC([O-])=CS1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923751	0	42	-2.0	-109.25	370.24	-1.36	-110.61
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923765	0	45	-2.0	-93.98	384.64	-0.60	-94.58
O=C(CC1SC(=O)[N-]C1=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923861	0	43	-2.0	-86.05	376.52	-1.96	-88.01
O=C(NCC12CC1N(C(=O)C1=CC=C([O-])C(F)=C1F)CCC2)C1=CC(=O)[N-]O1	REAL300029923882	0	43	-2.0	-92.32	367.96	1.77	-90.55
O=C(NCC12CC1N(C(=O)C1=CC=CC(Cl)=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029923889	0	43	-2.0	-97.65	374.54	3.48	-94.17
CC1=CC(=O)C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)=N[N-]1	REAL300029923915	0	44	-2.0	-90.10	368.79	2.75	-87.35
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029923918	0	48	-2.0	-101.89	400.47	2.48	-99.41
O=C(NCC12CC1N(C(=O)C1=CC=CC(=O)N1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029923937	0	43	-2.0	-108.11	370.02	2.45	-105.66
N#CC1=CC=C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C(=O)[N-]1	REAL300029923960	0	43	-2.0	-89.00	379.03	0.36	-88.64
CN1N=C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)[N-]C1=O	REAL300029924010	0	42	-2.0	-92.52	357.48	-0.86	-93.38
[N-]=[N+]=NC1=CC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)=CC=C1[O-]	REAL300029924033	0	45	-2.0	-87.92	385.43	-0.23	-88.15
N#CC1=CC=C([O-])C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)=C1	REAL300029924069	0	44	-2.0	-91.71	378.15	2.83	-88.88
O=C(NCC12CC1N(C(=O)C1=CN([O-])C(=O)NC1=O)CCC2)C1=CC(=O)[N-]O1	REAL300029924161	0	43	-2.0	-89.02	366.50	-0.07	-89.09
O=C(NCC12CC1N(C(=O)C1=CC=C(F)C(O)=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029924211	0	43	-2.0	-97.29	363.74	1.89	-95.40
O=C(NCC12CC1N(C(=O)C1=CC=C(F)C([O-])=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029924211	1	43	-2.0	-97.29	363.74	1.89	-95.40
O=C(NCC12CC1N(C(=O)C1=CC=C(Cl)C=C1O)CCC2)C1=CC(=O)[N-]O1	REAL300029924228	0	43	-2.0	-97.19	373.67	2.89	-94.30
O=C(NCC12CC1N(C(=O)C1=CC=C(Cl)C=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029924228	1	43	-2.0	-97.19	373.67	2.89	-94.30
O=C(NCC12CC1N(C(=O)C1=NC(=O)[N-]C(=O)N1)CCC2)C1=CC(=O)[N-]O1	REAL300029924293	0	41	-2.0	-90.18	353.16	-3.33	-93.51
O=C(NCC12CC1N(C(=O)C1=NC(=O)NC(=O)[N-]1)CCC2)C1=CC(=O)[N-]O1	REAL300029924293	1	41	-2.0	-83.67	353.34	-2.55	-86.22
O=C(NCC12CC1N(C(=O)C1=CC=C3N=NN([O-])C3=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029924307	0	45	-2.0	-99.44	379.69	0.98	-98.46
O=C(NCC12CC1N(C(=O)C1=C(Cl)C(=O)[N-]S1)CCC2)C1=CC(=O)[N-]O1	REAL300029924336	0	39	-2.0	-88.78	355.06	-0.43	-89.21
NC1=NC=C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C(=O)[N-]1	REAL300029924350	1	43	-2.0	-93.01	368.10	-0.76	-93.77
CC1=C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)[N-]C(=O)C(C#N)=C1	REAL300029924373	0	46	-2.0	-88.16	398.45	0.88	-87.28
O=C(NCC12CC1N(C(=O)C1=CC=C(F)C([O-])=C1F)CCC2)C1=CC(=O)[N-]O1	REAL300029924385	0	43	-2.0	-99.98	367.92	1.75	-98.23
COC1=NC(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)=CC(=O)[N-]1	REAL300029924433	0	45	-2.0	-90.02	374.13	-2.38	-92.40
O=C(NCC12CC1N(C(=O)C1=CC=C3N[N-]N=C3C1=O)CCC2)C1=CC(=O)[N-]O1	REAL300029924434	0	45	-2.0	-93.23	386.86	0.57	-92.66
O=C(NCC12CC1N(C(=O)C1=NC=CC(Cl)=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029924440	0	42	-2.0	-94.15	367.82	3.27	-90.88
O=C(NCC12CC1N(C(=O)C1=CC=C(Cl)C([O-])=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029924473	0	43	-2.0	-93.39	373.53	2.38	-91.01
O=C(NCC12CC1N(C(=O)C1=CC=NC=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029924482	0	42	-2.0	-97.34	351.95	0.47	-96.87
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC(=O)[N-]O1	REAL300029924487	0	39	-2.0	-90.91	334.75	-0.90	-91.81
CC1=C([O-])N=C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)S1	REAL300029924508	1	42	-2.0	-94.59	366.86	-0.23	-94.82
O=C(NCC12CC1N(C(=O)C(=O)C1=CC=C([O-])C=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029924598	1	45	-2.0	-88.86	386.41	2.08	-86.78
O=C(NCC12CC1N(C(=O)C1=CN=C(C=N[O-])S1)CCC2)C1=CC(=O)[N-]O1	REAL300029924621	0	42	-2.0	-100.13	372.64	-0.21	-100.34
O=C(NCC12CC1N(C(=O)C1=CC(=O)C=C(Cl)[N-]1)CCC2)C1=CC(=O)[N-]O1	REAL300029924642	1	42	-2.0	-82.77	370.00	2.59	-80.18
O=C(NCC12CC1N(C(=O)C1=CC(=O)NC([O-])=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029924665	0	43	-2.0	-86.18	364.03	-2.42	-88.60
CCN1[N-]C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)=CC1=O	REAL300029924725	0	46	-2.0	-89.43	384.43	1.78	-87.65
CN1[N-]C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)=CC1=O	REAL300029924742	0	43	-2.0	-92.34	362.61	0.82	-91.52
O=C(CSC1=NNC(=O)[N-]1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924752	0	43	-2.0	-89.57	379.83	-1.26	-90.83
O=C(CC1=CC(=O)N[N-]1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CC12	REAL300029924872	1	43	-2.0	-95.75	363.52	-0.48	-96.23
O=C(NCC12CC1N(C(=O)C1=CC=C([O-])C(F)=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029924877	1	43	-2.0	-92.59	363.70	2.01	-90.58
O=C(NCC12CC1N(C(=O)C1=CC(F)=C([O-])C(F)=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029924920	0	43	-2.0	-100.79	369.98	1.92	-98.87
O=C(NCC12CC1N(C(=O)C1=CC=NC(Cl)=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300029924925	0	42	-2.0	-95.43	368.51	0.91	-94.52
CC1=C(CC(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C(=O)N(C)[N-]1	REAL300029924939	0	49	-2.0	-96.99	406.47	1.80	-95.19
CC1=CN=C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CC23)C([O-])=C1	REAL300029924975	1	45	-2.0	-99.38	373.30	3.37	-96.01
O=C(NCC12CC1N(C(=O)C1=CC([O-])=CS1)CCC2)C1=CC(=O)[N-]O1	REAL300029924996	0	40	-2.0	-97.65	345.71	0.71	-96.94
O=C(NCC12CC1N(C(=O)C1=CN([O-])C(=O)C=C1)CCC2)C1=CC(=O)[N-]O1	REAL300029925009	0	43	-2.0	-102.53	363.53	2.49	-100.04
O=C(NCC12CC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CN([O-])C(=O)NC1=O	REAL300029925041	0	43	-2.0	-87.71	365.80	0.31	-87.40
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300029925601	1	44	-2.0	-98.89	371.68	0.59	-98.30
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F	REAL300029925908	0	44	-2.0	-87.55	378.57	-1.06	-88.61
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCCN1C(=O)[N-]NC1=O	REAL300029926458	0	45	-2.0	-98.28	384.38	-1.62	-99.90
CC(C)CN1[N-]C(CC(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)=CC1=O	REAL300029926655	0	51	-2.0	-108.73	418.94	2.10	-106.63
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCC1=NNC(=O)[N-]C1=O	REAL300029926749	0	43	-2.0	-96.09	372.08	-4.34	-100.43
CC(=O)[N-]C1=NC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)=CS1	REAL300029926750	1	41	-2.0	-93.47	365.60	-0.91	-94.38
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300029926964	1	44	-2.0	-96.68	377.83	-0.20	-96.88
COC1=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)NC(=O)[N-]C1=O	REAL300029927109	1	42	-2.0	-98.37	360.78	-3.25	-101.62
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300029927260	0	37	-2.0	-97.56	327.90	-4.54	-102.10
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CN1C(=O)[N-]NC1=O	REAL300029927402	0	39	-2.0	-103.84	341.06	-2.94	-106.78
CC1=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C(=O)[N-]C(C(C)C)=N1	REAL300029927445	1	49	-2.0	-93.05	399.24	1.10	-91.95
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1[N-]C(=O)C(F)(F)C(F)(F)C(F)F	REAL300029928480	0	37	-2.0	-97.66	340.25	0.80	-96.86
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300029928497	0	39	-2.0	-110.45	338.10	1.61	-108.84
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300029928704	0	39	-2.0	-90.44	339.42	-3.27	-93.71
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=COC(=O)[N-]1	REAL300029928720	1	35	-2.0	-91.42	311.48	-3.45	-94.87
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300029928783	1	47	-2.0	-98.88	387.44	1.13	-97.75
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1[N-]C(=O)C(F)(F)C(F)(F)F	REAL300029928871	0	34	-2.0	-91.10	316.13	0.08	-91.02
CCN1[N-]C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)=CC1=O	REAL300029929004	0	42	-2.0	-96.10	360.88	0.18	-95.92
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1=CC(=O)N[N-]1	REAL300029929015	1	39	-2.0	-107.82	336.06	-1.90	-109.72
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC=CC(=S)N1[O-]	REAL300029929042	0	39	-2.0	-130.41	347.38	3.64	-126.77
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1SC(=O)[N-]C1=O	REAL300029929061	0	39	-2.0	-95.03	350.11	-3.29	-98.32
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300029929081	0	38	-2.0	-99.54	333.51	-2.25	-101.79
CC1=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C(=O)NC(C2CC2)=N1	REAL300029929213	0	47	-2.0	-99.88	387.55	1.28	-98.60
CC1=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C(=O)[N-]C(C2CC2)=N1	REAL300029929213	1	47	-2.0	-99.88	387.55	1.28	-98.60
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300029929229	0	37	-2.0	-89.84	319.63	-0.31	-90.15
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300029929273	0	41	-2.0	-107.34	355.42	0.12	-107.22
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300029929400	0	36	-2.0	-92.74	316.35	-2.49	-95.23
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300029929405	0	41	-2.0	-94.26	349.51	-1.01	-95.27
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC=CN([O-])C1=O	REAL300029929459	0	39	-2.0	-108.04	335.63	1.76	-106.28
CSC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C(=O)N1	REAL300029929485	0	41	-2.0	-97.49	361.76	-0.43	-97.92
CSC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C(=O)[N-]1	REAL300029929485	1	41	-2.0	-97.49	361.76	-0.43	-97.92
CC1SC(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)=NC1=O	REAL300029929513	0	38	-2.0	-97.19	342.85	-2.32	-99.51
CC1=C([O-])N=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)S1	REAL300029929513	1	38	-2.0	-97.19	342.85	-2.32	-99.51
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC(=O)C=C(Cl)N1	REAL300029929537	0	38	-2.0	-88.72	346.47	0.86	-87.86
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300029929537	1	38	-2.0	-88.72	346.47	0.86	-87.86
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300029929565	0	39	-2.0	-108.98	339.35	1.60	-107.38
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300029929640	0	39	-2.0	-127.09	336.27	2.61	-124.48
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C[N-]C(=O)C(F)(F)F	REAL300029929858	0	38	-2.0	-92.97	346.42	-2.58	-95.55
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1=C([O-])N=C(N)S1	REAL300029929859	0	40	-2.0	-118.96	357.51	-3.37	-122.33
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CC1=NC([O-])=CS1	REAL300029929938	0	38	-2.0	-117.38	342.70	-2.50	-119.88
CCC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C(=O)[N-]1	REAL300029929970	1	43	-2.0	-96.79	360.52	0.05	-96.74
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CN1N=CC(=O)[N-]C1=O	REAL300029929984	0	40	-2.0	-110.01	352.31	-3.99	-114.00
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=C(Cl)C(=O)[N-]S1	REAL300029930084	0	35	-2.0	-96.94	333.01	-1.20	-98.14
COCC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C(=O)N1	REAL300029930224	0	44	-2.0	-97.79	373.45	-1.70	-99.49
COCC1=NC=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C(=O)[N-]1	REAL300029930224	1	44	-2.0	-97.79	373.45	-1.70	-99.49
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CN=C(CC2CC2)NC1=O	REAL300029930239	0	47	-2.0	-96.97	391.45	1.64	-95.33
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CN=C(CC2CC2)[N-]C1=O	REAL300029930239	1	47	-2.0	-96.97	391.45	1.64	-95.33
CC1=CC(=O)C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)=N[N-]1	REAL300029930347	0	40	-2.0	-97.42	345.10	1.33	-96.09
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300029930370	0	35	-2.0	-96.72	309.99	-3.76	-100.48
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300029930400	0	40	-2.0	-90.33	353.50	0.59	-89.74
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029930400	1	40	-2.0	-90.33	353.50	0.59	-89.74
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CN=C(C=N[O-])S1	REAL300029930563	0	38	-2.0	-102.78	351.70	-0.89	-103.67
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300029930849	0	39	-2.0	-94.71	339.13	-0.73	-95.44
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300029930859	1	42	-2.0	-112.54	361.84	-0.33	-112.87
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300029930863	0	39	-2.0	-96.72	353.26	-2.64	-99.36
CC1=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C)C(=S)[N-]C(=O)N1	REAL300029930864	1	41	-2.0	-119.23	367.74	-1.28	-120.51
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300029931129	0	37	-2.0	-93.33	329.44	-5.51	-98.84
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300029931129	1	37	-2.0	-94.20	329.15	-4.80	-99.00
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300029931229	0	41	-2.0	-99.68	362.34	-6.36	-106.04
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300029931229	1	41	-2.0	-95.23	362.27	-6.30	-101.53
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300029931408	0	41	-2.0	-104.61	357.17	-1.94	-106.55
C[C@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029931653	1	38	-2.0	-105.86	327.03	1.52	-104.34
C[C@H]1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029931783	1	44	-2.0	-102.24	380.87	-0.10	-102.34
CC(=O)[N-]C1=NC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029931801	1	41	-2.0	-91.14	365.79	-0.37	-91.51
C[C@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029931842	0	37	-2.0	-97.59	326.68	-4.20	-101.79
COC1=C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029931912	1	42	-2.0	-100.76	361.37	-3.14	-103.90
C[C@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029932125	0	39	-2.0	-101.14	343.99	-2.84	-103.98
C[C@H]1CN(C(=O)CN2[N-]C=C3C2=NC=NC3=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029932195	0	43	-2.0	-95.64	378.44	0.14	-95.50
C[C@H]1CN(C(=O)CCCN2C(=O)[N-]NC2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933393	0	45	-2.0	-91.90	387.43	-1.51	-93.41
CC(C)CN1[N-]C(CC(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029933604	0	51	-2.0	-100.25	421.87	2.26	-97.99
C[C@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933664	1	44	-2.0	-104.70	381.65	0.42	-104.28
C[C@H]1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029933918	0	44	-2.0	-87.84	375.68	-0.12	-87.96
CC1=C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C(C)C)=N1	REAL300029934473	1	49	-2.0	-106.38	408.56	0.81	-105.57
C[C@H]1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934819	0	43	-2.0	-91.15	375.13	-4.25	-95.40
C[C@H]1CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934829	0	41	-2.0	-92.77	356.12	2.51	-90.26
C[C@H]1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934848	1	39	-2.0	-107.77	344.49	2.78	-104.99
C[C@H]1CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934889	1	40	-2.0	-92.45	350.88	1.09	-91.36
C[C@H]1CN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934926	0	41	-2.0	-114.39	356.29	0.74	-113.65
C[C@H]1CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029934998	0	41	-2.0	-114.76	357.13	3.41	-111.35
CCC1=NC=C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029935037	1	43	-2.0	-103.35	370.57	-0.18	-103.53
C[C@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935067	1	35	-2.0	-97.21	310.30	-2.24	-99.45
C[C@H]1CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935164	0	41	-2.0	-114.26	360.31	2.07	-112.19
C[C@H]1CN(C(=O)C[N-]C(=O)C(F)(F)F)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935184	0	38	-2.0	-90.13	349.25	-2.44	-92.57
C[C@H]1CN(C(=O)CC2=C([O-])N=C(N)S2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935185	0	40	-2.0	-112.15	360.55	-3.27	-115.42
C[C@H]1CN(C(=O)C2=C(F)C=C([O-])C=C2F)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935198	0	39	-2.0	-89.97	352.50	1.16	-88.81
C[C@H]1CN(C(=O)C2=CC=C([O-])C=C2F)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935231	1	39	-2.0	-91.59	340.08	0.89	-90.70
C[C@H]1CN(C(=O)C2=CC([O-])=C3SC=CC3=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935242	1	42	-2.0	-97.41	366.86	1.99	-95.42
C[C@H]1CN(C(=O)C2=CC([O-])=CC(=O)O2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935245	0	38	-2.0	-96.31	335.37	0.30	-96.01
C[C@H]1CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935260	1	40	-2.0	-95.74	350.32	1.12	-94.62
C[C@H]1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935266	0	38	-2.0	-102.50	343.15	0.61	-101.89
C[C@H]1CN(C(=O)C2=C(N)[N-]C(=O)C(C#N)=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935275	0	41	-2.0	-99.43	367.22	-1.92	-101.35
C[C@H]1CN(C(=O)CN2N=CC(=O)[N-]C2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935296	0	40	-2.0	-106.59	354.33	-3.95	-110.54
CC1=CC=C([O-])C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029935409	1	41	-2.0	-102.56	349.09	2.15	-100.41
C[C@H]1CN(C(=O)CCC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935413	0	41	-2.0	-92.31	355.27	-2.12	-94.43
C[C@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935442	0	37	-2.0	-93.86	329.52	-0.53	-94.39
C[C@H]1CN(C(=O)C2=CC=CC(F)=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935457	0	39	-2.0	-114.54	337.35	2.09	-112.45
C[C@H]1CN(C(=O)C2=CC=CC([O-])=C2F)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935615	1	39	-2.0	-112.02	337.63	0.77	-111.25
C[C@H]1CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935713	0	41	-2.0	-103.33	355.96	2.46	-100.87
C[C@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935792	0	36	-2.0	-91.67	315.88	-2.18	-93.85
C[C@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935800	0	41	-2.0	-92.20	349.61	-0.91	-93.11
C[C@H]1CN(C(=O)C(=O)C=C([O-])C2=CC=CC=N2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935835	0	44	-2.0	-112.25	383.24	2.52	-109.73
C[C@H]1CN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935859	1	47	-2.0	-106.74	401.49	1.43	-105.31
C[C@H]1CN(C(=O)C2=CC(N)=C(F)C([O-])=C2F)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935874	0	41	-2.0	-98.26	360.11	-1.12	-99.38
COCC1=NC=C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029935885	1	44	-2.0	-103.40	383.50	-1.93	-105.33
CC1=CC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300029935895	0	44	-2.0	-93.50	376.01	3.25	-90.25
C[C@H]1CN(C(=O)C2=CC(F)=CC(F)=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935924	0	39	-2.0	-105.72	344.72	2.24	-103.48
C[C@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029935961	0	39	-2.0	-109.86	335.94	1.23	-108.63
C[C@H]1CN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936002	0	39	-2.0	-102.97	346.94	0.91	-102.06
C[C@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936004	0	35	-2.0	-96.86	309.92	-2.87	-99.73
C[C@H]1CN(C(=O)C2=C([O-])C=CC=C2Cl)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936009	1	39	-2.0	-95.78	355.43	1.54	-94.24
C[C@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936019	0	39	-2.0	-121.09	345.82	1.59	-119.50
C[C@H]1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936068	1	39	-2.0	-100.72	352.31	1.15	-99.57
CC1=NC2=NC=C(C(=O)N3C[C@H](C)[C@H](NC(=O)C4=CC(=O)[N-]O4)C3)C(=O)N2[N-]1	REAL300029936163	0	43	-2.0	-102.66	377.62	2.52	-100.14
C[C@H]1CN(C(=O)C2=NC(N)=CC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936213	0	39	-2.0	-98.01	339.76	-2.50	-100.51
C[C@H]1CN(C(=O)CN2C=C(C#N)C(=O)[N-]C2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936229	0	42	-2.0	-103.71	379.65	-1.57	-105.28
C[C@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936306	0	39	-2.0	-94.88	345.94	1.23	-93.65
C[C@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936315	1	39	-2.0	-106.86	334.17	2.33	-104.53
CC1=CC=NC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029936431	1	41	-2.0	-105.11	347.37	2.28	-102.83
C[C@H]1CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936500	0	39	-2.0	-112.37	350.13	2.82	-109.55
C[C@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936641	1	38	-2.0	-100.25	325.03	-1.16	-101.41
C[C@H]1CN(C(=O)C2=CC=CC(=S)N2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936657	0	39	-2.0	-127.86	356.67	2.02	-125.84
C[C@H]1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936832	1	47	-2.0	-105.52	397.08	0.99	-104.53
C[C@H]1CN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936851	1	41	-2.0	-97.90	358.73	-0.80	-98.70
C[C@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936856	0	38	-2.0	-90.44	345.83	0.35	-90.09
C[C@H]1CN(C(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2N)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936934	0	43	-2.0	-100.67	370.70	0.66	-100.01
C[C@H]1CN(C(=O)C2=CC=C([O-])C=C2Cl)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936941	1	39	-2.0	-91.19	348.81	1.33	-89.86
C[C@H]1CN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936944	0	42	-2.0	-105.57	361.49	0.52	-105.05
C[C@H]1CN(C(=O)CC2=NC([O-])=CS2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936959	0	38	-2.0	-107.72	345.74	-2.39	-110.11
C[C@H]1CN(C(=O)C2=C([O-])C=CC=C2F)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936987	0	39	-2.0	-104.83	345.93	1.16	-103.67
C[C@H]1CN(C(=O)CN2[N-]C(=O)C=CC2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936991	0	41	-2.0	-95.16	361.00	-1.76	-96.92
C[C@H]1CN(C(=O)C2=CC=C(F)C=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029936996	0	39	-2.0	-95.55	339.85	1.79	-93.76
CC1=CC=C(F)C([O-])=C1C(=O)N1C[C@H](C)[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029937056	0	42	-2.0	-111.99	365.38	1.73	-110.26
C[C@H]1CN(C(=O)CC2SC(=O)[N-]C2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937169	0	39	-2.0	-93.40	352.57	-3.17	-96.57
C[C@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937203	0	39	-2.0	-100.00	340.53	0.81	-99.19
C[C@H]1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937207	1	40	-2.0	-89.70	362.05	-0.46	-90.16
C[C@H]1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937214	0	39	-2.0	-109.07	347.15	2.57	-106.50
CC1=CC(=O)C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029937258	0	40	-2.0	-98.77	343.88	1.66	-97.11
C[C@H]1CN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937263	0	44	-2.0	-104.74	376.88	1.31	-103.43
C[C@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937302	0	39	-2.0	-107.72	345.56	1.39	-106.33
C[C@H]1CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937352	0	39	-2.0	-99.01	355.50	-0.68	-99.69
C[C@H]1CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937353	0	41	-2.0	-94.50	366.13	-6.12	-100.62
C[C@H]1CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937353	1	41	-2.0	-88.75	366.06	-6.09	-94.84
C[C@H]1CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937385	0	41	-2.0	-93.88	359.44	2.31	-91.57
C[C@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937435	0	38	-2.0	-97.28	333.37	-2.00	-99.28
C[C@H]1CN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937482	0	41	-2.0	-94.63	357.69	-1.53	-96.16
C[C@H]1CN(C(=O)C2=C(F)C=CC(O)=C2O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937529	0	40	-2.0	-105.02	356.68	-0.76	-105.78
C[C@H]1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937529	1	40	-2.0	-105.02	356.68	-0.76	-105.78
C[C@H]1CN(C(=O)C2=CC(C#N)=CC=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937544	0	40	-2.0	-103.31	348.60	2.68	-100.63
C[C@H]1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937707	0	39	-2.0	-95.30	350.93	-0.97	-96.27
C[C@H]1CN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937751	0	39	-2.0	-103.54	350.32	2.83	-100.71
C[C@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937791	1	39	-2.0	-107.54	336.19	0.71	-106.83
C[C@H]1CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937801	1	44	-2.0	-123.66	368.50	2.71	-120.95
C[C@H]1CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937805	0	41	-2.0	-91.51	361.59	2.39	-89.12
C[C@H]1CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937809	0	41	-2.0	-98.47	355.93	2.93	-95.54
C[C@H]1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937823	1	39	-2.0	-95.80	350.16	2.23	-93.57
C[C@H]1CN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937855	0	41	-2.0	-90.81	358.22	1.37	-89.44
C[C@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937964	0	37	-2.0	-93.22	328.79	-3.85	-97.07
C[C@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029937964	1	37	-2.0	-93.22	328.79	-3.85	-97.07
C[C@H]1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938014	0	41	-2.0	-102.48	352.38	-0.28	-102.76
C[C@H]1CN(C(=O)C2=C(O)C3=CC=CC=C3C=N2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938063	0	44	-2.0	-110.38	372.26	3.93	-106.45
C[C@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938063	1	44	-2.0	-110.38	372.26	3.93	-106.45
C[C@H]1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938064	0	35	-2.0	-92.21	331.16	-1.32	-93.53
C[C@H]1CN(C(=O)C2=CN=C(N)NC2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938093	0	39	-2.0	-103.76	343.94	-1.84	-105.60
C[C@H]1CN(C(=O)C2=CN=C(N)[N-]C2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938093	1	39	-2.0	-103.76	343.94	-1.84	-105.60
CC1=C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029938136	0	42	-2.0	-94.15	365.39	1.05	-93.10
C[C@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938238	0	39	-2.0	-92.57	352.20	1.35	-91.22
C[C@H]1CN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938247	0	40	-2.0	-93.19	360.57	0.55	-92.64
C[C@H]1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938247	1	40	-2.0	-93.19	360.57	0.55	-92.64
C[C@H]1CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938257	0	41	-2.0	-94.79	360.09	-0.46	-95.25
C[C@H]1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938270	0	38	-2.0	-100.93	343.25	2.09	-98.84
C[C@H]1CN(C(=O)CC2=CC=C(O)C(Cl)=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938277	0	42	-2.0	-99.37	375.98	2.35	-97.02
C[C@H]1CN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938277	1	42	-2.0	-99.37	375.98	2.35	-97.02
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938351	0	35	-2.0	-99.60	310.15	-1.99	-101.59
CC1SC(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029938402	0	38	-2.0	-103.28	342.69	-1.60	-104.88
CC1=C([O-])N=C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029938402	1	38	-2.0	-103.28	342.69	-1.60	-104.88
C[C@H]1CN(C(=O)C2=C(O)C=CC3=CC=CC=C32)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938464	0	45	-2.0	-119.99	384.40	3.22	-116.77
C[C@H]1CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938464	1	45	-2.0	-119.99	384.40	3.22	-116.77
C[C@H]1CN(C(=O)C2=C(O)C3=CC=CC=C3C=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938483	0	45	-2.0	-117.50	372.66	4.55	-112.95
C[C@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938483	1	45	-2.0	-117.50	372.66	4.55	-112.95
C[C@H]1CN(C(=O)C2=CC3=CC=CC=C3C=C2O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938492	0	45	-2.0	-119.30	378.03	4.23	-115.07
C[C@H]1CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938492	1	45	-2.0	-119.30	378.03	4.23	-115.07
C[C@H]1CN(C(=O)C(=O)C2=CC=C(O)C=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938551	0	41	-2.0	-90.65	353.48	1.05	-89.60
C[C@H]1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938551	1	41	-2.0	-90.65	353.48	1.05	-89.60
C[C@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938591	0	38	-2.0	-103.70	348.78	-1.06	-104.76
C[C@H]1CN(C(=O)C2=CC(=O)C=C(Cl)N2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938629	0	38	-2.0	-91.58	345.01	1.36	-90.22
C[C@H]1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938629	1	38	-2.0	-91.58	345.01	1.36	-90.22
CSC1=NC=C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029938660	0	41	-2.0	-104.47	371.88	-0.68	-105.15
CSC1=NC=C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029938660	1	41	-2.0	-104.47	371.88	-0.68	-105.15
C[C@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938670	0	39	-2.0	-91.25	346.62	-3.29	-94.54
CCN1[N-]C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029938768	0	42	-2.0	-97.80	359.71	0.52	-97.28
C[C@H]1CN(C(=O)CNC(=O)C2=NC=CC=C2O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938780	0	45	-2.0	-103.52	390.15	-0.38	-103.90
C[C@H]1CN(C(=O)CNC(=O)C2=NC=CC=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938780	1	45	-2.0	-103.52	390.15	-0.38	-103.90
C[C@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938794	0	39	-2.0	-93.64	338.81	-0.47	-94.11
C[C@H]1CN(C(=O)C2=CC=CC3=C2C(=O)NC3=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938808	0	42	-2.0	-115.99	358.58	-0.75	-116.74
C[C@H]1CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938808	1	42	-2.0	-115.99	358.58	-0.75	-116.74
C[C@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938813	0	39	-2.0	-95.85	355.33	-2.47	-98.32
CC1=C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)NC(=O)N1	REAL300029938815	0	41	-2.0	-112.71	367.38	-1.07	-113.78
CC1=C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029938815	1	41	-2.0	-112.71	367.38	-1.07	-113.78
CC1=C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)NC(C2CC2)=N1	REAL300029938826	0	47	-2.0	-107.13	398.75	1.00	-106.13
CC1=C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300029938826	1	47	-2.0	-107.13	398.75	1.00	-106.13
C[C@H]1CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029938893	1	44	-2.0	-97.22	379.49	1.40	-95.82
C[C@H]1CN(C(=O)CC2=CC(=O)N[N-]2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939021	1	39	-2.0	-96.17	339.92	-1.69	-97.86
C[C@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939028	1	39	-2.0	-98.79	336.15	0.75	-98.04
C[C@H]1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939102	0	39	-2.0	-95.07	342.53	0.86	-94.21
C[C@H]1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939108	0	38	-2.0	-106.67	342.46	0.63	-106.04
CC1=C(CC(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029939133	0	45	-2.0	-98.44	382.66	0.75	-97.69
C[C@H]1CN(C(=O)CCC(=O)C2=CC=C([O-])C=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939145	1	47	-2.0	-92.35	402.23	2.56	-89.79
CC1=CN=C(C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029939189	1	41	-2.0	-106.62	348.50	2.22	-104.40
C[C@H]1CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939208	0	40	-2.0	-103.66	366.39	-1.12	-104.78
C[C@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939234	0	36	-2.0	-104.40	322.49	-0.28	-104.68
C[C@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939262	0	39	-2.0	-102.12	346.28	1.62	-100.50
C[C@H]1CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C[C@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300029939270	0	39	-2.0	-101.66	354.52	2.70	-98.96
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300029939328	0	39	-2.0	-91.97	341.72	-0.73	-92.70
C[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029939368	1	40	-2.0	-83.87	352.66	-0.13	-84.00
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C[C@@H]21	REAL300029939923	1	45	-2.0	-131.02	379.76	1.37	-129.65
O=C(CCCN1C(=O)[N-]NC1=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940689	0	46	-2.0	-116.03	385.58	-0.46	-116.49
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029940948	0	44	-2.0	-108.86	373.00	-3.14	-112.00
CC(=O)[N-]C1=NC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)=CS1	REAL300029940949	1	42	-2.0	-104.75	364.75	0.85	-103.90
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029941139	1	45	-2.0	-121.11	378.77	1.03	-120.08
COC1=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)NC(=O)[N-]C1=O	REAL300029941275	1	43	-2.0	-107.91	368.76	-3.50	-111.41
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=NNC(=O)[N-]C3=O)C[C@@H]21	REAL300029941416	0	38	-2.0	-115.45	326.08	-3.18	-118.63
O=C(CN1C(=O)[N-]NC1=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029941549	0	40	-2.0	-121.31	342.73	-1.65	-122.96
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CN([O-])C(=O)C=C3)C[C@@H]21	REAL300029942570	0	40	-2.0	-131.44	338.70	2.41	-129.03
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)NC([O-])=C3)C[C@@H]21	REAL300029942761	0	40	-2.0	-107.90	344.67	-2.31	-110.21
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=COC(=O)[N-]3)C[C@@H]21	REAL300029942775	1	36	-2.0	-108.06	309.66	-0.94	-109.00
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C[C@@H]21	REAL300029942832	1	48	-2.0	-129.03	395.17	2.06	-126.97
CCN1[N-]C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)=CC1=O	REAL300029943038	0	43	-2.0	-113.42	357.85	1.79	-111.63
O=C(CC1=CC(=O)N[N-]1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943047	1	40	-2.0	-120.39	337.78	-0.58	-120.97
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC=CC(=S)N3[O-])C[C@@H]21	REAL300029943072	0	40	-2.0	-119.66	354.56	3.14	-116.52
O=C(CC1SC(=O)[N-]C1=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943090	0	40	-2.0	-103.60	351.67	-2.06	-105.66
CN1N=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)[N-]C1=O	REAL300029943109	0	39	-2.0	-116.96	330.88	-0.74	-117.70
CC1=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C(=O)NC(C2CC2)=N1	REAL300029943228	0	48	-2.0	-133.87	398.07	1.96	-131.91
CC1=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C(=O)[N-]C(C2CC2)=N1	REAL300029943228	1	48	-2.0	-133.87	398.07	1.96	-131.91
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=C[N-]N=CC3=O)C[C@@H]21	REAL300029943243	0	38	-2.0	-115.97	327.37	0.51	-115.46
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC=C4N=NN([O-])C4=C3)C[C@@H]21	REAL300029943285	0	42	-2.0	-130.24	355.24	0.94	-129.30
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)N[N-]3)C[C@@H]21	REAL300029943398	0	37	-2.0	-110.00	314.52	-1.01	-111.01
C[PH](C)([O-])C(=O)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943403	0	42	-2.0	-113.34	347.32	0.02	-113.32
O=C(CCC1=NC(=O)NN1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943445	0	42	-2.0	-111.10	352.96	-1.53	-112.63
O=C(CCC1=NC(=O)[N-]N1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943445	1	42	-2.0	-111.10	352.96	-1.53	-112.63
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC=CN([O-])C3=O)C[C@@H]21	REAL300029943454	0	40	-2.0	-150.57	343.90	2.59	-147.98
CSC1=NC=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C(=O)N1	REAL300029943475	0	42	-2.0	-130.83	369.99	0.30	-130.53
CSC1=NC=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C(=O)[N-]1	REAL300029943475	1	42	-2.0	-130.83	369.99	0.30	-130.53
CC1SC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)=NC1=O	REAL300029943501	0	39	-2.0	-114.31	341.07	-0.11	-114.42
CC1=C([O-])N=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)S1	REAL300029943501	1	39	-2.0	-114.31	341.07	-0.11	-114.42
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)C=C(Cl)N3)C[C@@H]21	REAL300029943525	0	39	-2.0	-104.41	344.00	2.65	-101.76
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C[C@@H]21	REAL300029943525	1	39	-2.0	-104.41	344.00	2.65	-101.76
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)N([O-])C=C3)C[C@@H]21	REAL300029943552	0	40	-2.0	-111.53	344.37	2.70	-108.83
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC=CC(=O)N3[O-])C[C@@H]21	REAL300029943619	0	40	-2.0	-119.91	343.46	2.52	-117.39
NC1=NC([O-])=C(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)S1	REAL300029943821	0	41	-2.0	-141.70	358.62	-2.15	-143.85
O=C(CC1=NC([O-])=CS1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943889	0	39	-2.0	-135.19	343.65	-1.27	-136.46
CCC1=NC=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C(=O)[N-]1	REAL300029943918	1	44	-2.0	-129.37	368.68	0.78	-128.59
O=C(CN1N=CC(=O)[N-]C1=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029943931	0	41	-2.0	-127.95	353.07	-2.76	-130.71
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=C(Cl)C(=O)[N-]S3)C[C@@H]21	REAL300029944020	0	36	-2.0	-112.38	330.34	-0.27	-112.65
COCC1=NC=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C(=O)N1	REAL300029944147	0	45	-2.0	-128.72	381.61	-0.97	-129.69
COCC1=NC=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C(=O)[N-]1	REAL300029944147	1	45	-2.0	-128.72	381.61	-0.97	-129.69
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CN=C(CC4CC4)NC3=O)C[C@@H]21	REAL300029944160	0	48	-2.0	-129.44	399.61	2.39	-127.05
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CN=C(CC4CC4)[N-]C3=O)C[C@@H]21	REAL300029944160	1	48	-2.0	-129.44	399.61	2.39	-127.05
CC1=CC(=O)C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)=N[N-]1	REAL300029944259	0	41	-2.0	-113.72	342.72	2.82	-110.90
CN1N=CC2=C1[N-]C=C(C(=O)N1CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C1)C2=O	REAL300029944265	0	45	-2.0	-120.63	382.14	2.33	-118.30
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=NC(=O)N[N-]3)C[C@@H]21	REAL300029944282	0	36	-2.0	-109.57	309.07	-1.60	-111.17
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CNC(=O)C([N+](=O)[O-])=C3)C[C@@H]21	REAL300029944311	0	41	-2.0	-108.84	358.95	1.61	-107.23
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=C[N-]C(=O)C([N+](=O)[O-])=C3)C[C@@H]21	REAL300029944311	1	41	-2.0	-108.84	358.95	1.61	-107.23
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CN=C(C=N[O-])S3)C[C@@H]21	REAL300029944462	0	39	-2.0	-119.48	349.11	-0.03	-119.51
CN1[N-]C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)=CC1=O	REAL300029944727	0	40	-2.0	-112.09	335.90	0.86	-111.23
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC=CC4=C3C(=O)NC4=O)C[C@@H]21	REAL300029944738	0	43	-2.0	-139.22	364.47	0.13	-139.09
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC=CC4=C3C(=O)[N-]C4=O)C[C@@H]21	REAL300029944738	1	43	-2.0	-139.22	364.47	0.13	-139.09
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029944742	0	40	-2.0	-108.45	354.03	-1.32	-109.77
CC1=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C(=S)NC(=O)N1	REAL300029944743	0	42	-2.0	-140.12	366.60	-0.14	-140.26
CC1=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)[C@H]3C2)C(=S)[N-]C(=O)N1	REAL300029944743	1	42	-2.0	-140.12	366.60	-0.14	-140.26
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=NC(=O)[N-]C(=O)N3)C[C@@H]21	REAL300029944978	0	38	-2.0	-105.65	328.39	-2.63	-108.28
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=NC(=O)NC(=O)[N-]3)C[C@@H]21	REAL300029944978	1	38	-2.0	-105.65	328.39	-2.63	-108.28
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029945064	0	42	-2.0	-105.93	363.94	-4.98	-110.91
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029945064	1	42	-2.0	-105.93	363.94	-4.98	-110.91
O=C(CN1[N-]C(=O)C=CC1=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)[C@H]2C1	REAL300029945225	0	42	-2.0	-117.79	358.91	-0.67	-118.46
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=NC=CC=C3O)[C@H]2C1	REAL300029945483	0	39	-2.0	-138.64	325.08	2.27	-136.37
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=NC=CC=C3[O-])[C@H]2C1	REAL300029945483	1	39	-2.0	-138.64	325.08	2.27	-136.37
O=C(CCN1C=CNC(=O)C1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945601	0	45	-2.0	-122.46	377.36	1.00	-121.46
O=C(CCN1C=C[N-]C(=O)C1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945601	1	45	-2.0	-122.46	377.36	1.00	-121.46
CC(=O)NC1=NC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=CS1	REAL300029945614	0	42	-2.0	-106.11	364.44	0.44	-105.67
CC(=O)[N-]C1=NC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=CS1	REAL300029945614	1	42	-2.0	-106.11	364.44	0.44	-105.67
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=NNC(=O)[N-]C3=O)[C@H]2C1	REAL300029945642	0	38	-2.0	-124.20	325.69	-3.36	-127.56
COC1=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)NC(=O)NC1=O	REAL300029945695	0	43	-2.0	-114.71	356.51	-2.26	-116.97
COC1=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)NC(=O)[N-]C1=O	REAL300029945695	1	43	-2.0	-114.71	356.51	-2.26	-116.97
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945867	0	40	-2.0	-128.64	342.10	-1.71	-130.35
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029945919	0	44	-2.0	-127.19	375.78	1.28	-125.91
O=C(CCCN1C(=O)[N-]NC1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029946851	0	46	-2.0	-122.03	384.88	-0.50	-122.53
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)[C@H]2C1	REAL300029947063	1	45	-2.0	-132.04	379.09	1.35	-130.69
O=C(CCC1=NNC(=O)[N-]C1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029947894	0	44	-2.0	-115.90	372.42	-3.21	-119.11
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029947902	0	42	-2.0	-121.13	354.37	3.59	-117.54
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC(Cl)=CC=C3[O-])[C@H]2C1	REAL300029947918	1	40	-2.0	-138.08	346.84	3.69	-134.39
N#CC1=CC([O-])=CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=C1	REAL300029947952	1	41	-2.0	-105.29	349.14	2.16	-103.13
NC1=CC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C([O-])=C1Cl	REAL300029947981	0	42	-2.0	-145.03	358.48	1.68	-143.35
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948034	0	42	-2.0	-152.36	356.09	4.53	-147.83
CCC1=NC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C(=O)[N-]1	REAL300029948066	1	44	-2.0	-130.32	367.98	0.76	-129.56
O=C(C1=COC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948089	1	36	-2.0	-107.01	308.57	-1.81	-108.82
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948192	0	39	-2.0	-116.21	345.86	-1.40	-117.61
NC1=NC([O-])=C(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)S1	REAL300029948193	0	41	-2.0	-132.83	357.99	-2.26	-135.09
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C=C3F)[C@H]2C1	REAL300029948220	1	40	-2.0	-118.64	336.43	1.96	-116.68
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC([O-])=C4SC=CC4=C3)[C@H]2C1	REAL300029948227	1	43	-2.0	-141.86	365.36	3.10	-138.76
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC([O-])=CC(=O)O3)[C@H]2C1	REAL300029948230	0	39	-2.0	-110.76	334.50	1.31	-109.45
N#CC1=CC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C=C1[O-]	REAL300029948242	1	41	-2.0	-129.78	348.56	2.20	-127.58
O=C(C1=CC(Cl)=NC=C1[O-])N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948248	0	39	-2.0	-132.07	338.23	1.98	-130.09
N#CC1=CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=C(N)[N-]C1=O	REAL300029948251	0	42	-2.0	-110.07	365.32	-0.82	-110.89
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948267	0	41	-2.0	-127.10	352.65	-2.83	-129.93
CC1=CC=C([O-])C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=N1	REAL300029948360	1	42	-2.0	-140.09	346.70	2.86	-137.23
O=C(CCC1=NC(=O)[N-]N1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948363	1	42	-2.0	-112.98	351.64	-1.53	-114.51
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=C[N-]N=CC3=O)[C@H]2C1	REAL300029948386	0	38	-2.0	-124.64	316.84	1.41	-123.23
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=CC(F)=C3[O-])[C@H]2C1	REAL300029948397	0	40	-2.0	-149.77	336.32	3.23	-146.54
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=CC([O-])=C3F)[C@H]2C1	REAL300029948523	1	40	-2.0	-141.31	336.58	1.90	-139.41
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948598	0	42	-2.0	-106.56	354.39	3.56	-103.00
O=C(C1=CC(=O)N[N-]1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948663	0	37	-2.0	-114.41	314.19	-1.16	-115.57
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948670	0	42	-2.0	-122.69	353.10	-0.04	-122.73
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948698	0	45	-2.0	-130.04	381.41	3.51	-126.53
O=C(C1=CN=C(CC2CC2)NC1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948719	0	48	-2.0	-130.52	398.92	2.35	-128.17
O=C(C1=CN=C(CC2CC2)[N-]C1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948719	1	48	-2.0	-130.52	398.92	2.35	-128.17
COCC1=NC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C(=O)N1	REAL300029948736	0	45	-2.0	-130.09	380.91	-1.00	-131.09
COCC1=NC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C(=O)[N-]1	REAL300029948736	1	45	-2.0	-130.09	380.91	-1.00	-131.09
O=C(C1=CC(=O)N([O-])C=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948790	0	40	-2.0	-133.52	334.36	2.30	-131.22
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC(F)=C(F)C([O-])=C3F)[C@H]2C1	REAL300029948826	0	40	-2.0	-129.77	345.64	1.89	-127.88
O=C(C1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948828	0	36	-2.0	-120.08	309.13	-2.72	-122.80
O=C(C1=CC=CN([O-])C1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029948840	0	40	-2.0	-134.14	343.20	2.53	-131.61
CC1=NC2=NC=C(C(=O)N3C[C@@H]4CCN(C(=O)C5=CC(=O)[N-]O5)C[C@@H]43)C(=O)N2[N-]1	REAL300029948946	0	44	-2.0	-118.48	374.91	3.54	-114.94
NC1=CC(=O)[N-]C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=N1	REAL300029948984	0	40	-2.0	-128.33	338.31	-1.73	-130.06
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C(Cl)=C3)[C@H]2C1	REAL300029949054	0	40	-2.0	-115.43	344.39	2.34	-113.09
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC(F)=CC=C3[O-])[C@H]2C1	REAL300029949061	1	40	-2.0	-136.72	336.51	3.22	-133.50
CC1=CC=NC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=C1[O-]	REAL300029949149	1	42	-2.0	-138.35	345.42	2.97	-135.38
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949206	0	40	-2.0	-144.46	352.31	3.77	-140.69
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CN=CC([O-])=C3)[C@H]2C1	REAL300029949322	1	39	-2.0	-109.14	323.44	-0.08	-109.22
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=CC(=S)N3[O-])[C@H]2C1	REAL300029949335	0	40	-2.0	-169.86	342.54	4.32	-165.54
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)[C@H]2C1	REAL300029949479	1	48	-2.0	-132.28	394.83	1.88	-130.40
NC1=CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=CC([O-])=C1Cl	REAL300029949493	1	42	-2.0	-134.11	357.25	0.21	-133.90
O=C(C1=CC=C([O-])C(Cl)=N1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949497	0	39	-2.0	-104.06	344.45	1.13	-102.93
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C=C3Cl)[C@H]2C1	REAL300029949565	1	40	-2.0	-114.55	345.18	2.40	-112.15
N#CC1=CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=C([O-])C=C1N	REAL300029949567	0	43	-2.0	-134.61	363.98	1.46	-133.15
O=C(CC1=NC([O-])=CS1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949578	0	39	-2.0	-136.90	343.10	-1.37	-138.27
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949601	0	42	-2.0	-128.81	358.37	-0.71	-129.52
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C(F)C=C3[O-])[C@H]2C1	REAL300029949604	0	40	-2.0	-140.58	336.25	3.35	-137.23
O=C(CC1SC(=O)[N-]C1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949728	0	40	-2.0	-111.00	350.73	-2.13	-113.13
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C(F)=C3F)[C@H]2C1	REAL300029949755	0	40	-2.0	-123.23	342.61	1.99	-121.24
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC([N+](=O)[O-])=C[N-]C3=O)[C@H]2C1	REAL300029949759	1	41	-2.0	-110.58	358.45	0.55	-110.03
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=CC(Cl)=C3[O-])[C@H]2C1	REAL300029949764	0	40	-2.0	-142.28	346.14	3.71	-138.57
CC1=CC(=O)C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=N[N-]1	REAL300029949797	0	41	-2.0	-124.16	342.84	2.47	-121.69
O=C(C=C([O-])C1=CC=C(O)C=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949802	0	45	-2.0	-142.29	373.76	2.36	-139.93
CN1N=CC2=C1[N-]C=C(C(=O)N1C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]31)C2=O	REAL300029949806	0	45	-2.0	-123.34	381.42	2.28	-121.06
O=C(C1=CC=CC(=O)N1[O-])N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949832	0	40	-2.0	-166.33	331.43	3.29	-163.04
N#CC1=CC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C(=O)[N-]1	REAL300029949869	0	40	-2.0	-114.41	352.53	0.34	-114.07
O=C(COC1=NC(=O)[N-]C(=O)N1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949870	0	42	-2.0	-112.58	363.30	-5.17	-117.75
O=C(COC1=NC(=O)NC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949870	1	42	-2.0	-114.38	362.73	-5.16	-119.54
O=C(C1=CC([O-])=CC=C1[N+](=O)[O-])N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029949899	0	42	-2.0	-112.97	358.61	3.48	-109.49
CN1N=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)[N-]C1=O	REAL300029949940	0	39	-2.0	-125.18	330.85	-1.05	-126.23
[N-]=[N+]=NC1=CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=CC=C1[O-]	REAL300029949975	0	42	-2.0	-107.72	354.43	0.15	-107.57
N#CC1=CC=C([O-])C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=C1	REAL300029950018	0	41	-2.0	-132.07	350.98	3.53	-128.54
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CN([O-])C(=O)NC3=O)[C@H]2C1	REAL300029950143	0	40	-2.0	-114.14	348.04	-0.02	-114.16
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950182	0	40	-2.0	-133.69	352.50	3.74	-129.95
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C(F)C([O-])=C3)[C@H]2C1	REAL300029950209	1	40	-2.0	-135.53	334.64	1.81	-133.72
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=C([O-])C4=NC=CC=C4C=C3)[C@H]2C1	REAL300029950218	1	45	-2.0	-156.92	370.85	3.66	-153.26
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950222	0	42	-2.0	-137.10	358.00	3.95	-133.15
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950225	0	42	-2.0	-126.36	358.28	3.83	-122.53
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C(Cl)C=C3[O-])[C@H]2C1	REAL300029950236	1	40	-2.0	-140.27	346.57	3.81	-136.46
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950251	0	42	-2.0	-107.27	356.63	2.41	-104.86
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)[C@H]2C1	REAL300029950327	0	38	-2.0	-107.38	327.04	-3.91	-111.29
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)[C@H]2C1	REAL300029950327	1	38	-2.0	-110.45	326.83	-3.21	-113.66
O=C(C1=CC=C2N=NN([O-])C2=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950359	0	42	-2.0	-136.96	350.56	0.74	-136.22
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)[C@H]2C1	REAL300029950399	1	45	-2.0	-145.73	370.29	4.61	-141.12
O=C(C1=C(Cl)C(=O)[N-]S1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950400	0	36	-2.0	-115.88	329.21	-0.24	-116.12
NC1=NC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C(=O)[N-]1	REAL300029950419	1	40	-2.0	-130.29	341.36	-0.89	-131.18
CC1=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)[N-]C(=O)C(C#N)=C1	REAL300029950453	0	43	-2.0	-99.97	362.76	1.77	-98.20
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C(F)C([O-])=C3F)[C@H]2C1	REAL300029950474	0	40	-2.0	-139.90	342.59	1.95	-137.95
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950534	0	40	-2.0	-111.71	350.46	2.43	-109.28
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=C[N-]C(=O)C([N+](=O)[O-])=C3)[C@H]2C1	REAL300029950540	1	41	-2.0	-107.90	348.46	1.22	-106.68
COC1=NC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=CC(=O)[N-]1	REAL300029950546	0	42	-2.0	-120.67	353.55	-2.98	-123.65
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C4N[N-]N=C4C3=O)[C@H]2C1	REAL300029950548	0	42	-2.0	-117.29	357.47	0.59	-116.70
O=C(C1=NC=CC(Cl)=C1[O-])N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950556	0	39	-2.0	-133.92	341.28	2.79	-131.13
O=C(CC1=CC=C([O-])C(Cl)=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950562	1	43	-2.0	-131.93	373.42	3.43	-128.50
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C(Cl)C([O-])=C3)[C@H]2C1	REAL300029950599	0	40	-2.0	-131.38	344.43	2.31	-129.07
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=NC=C3[O-])[C@H]2C1	REAL300029950609	0	39	-2.0	-140.78	321.56	1.51	-139.27
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950616	0	36	-2.0	-116.77	308.43	-0.92	-117.69
CC1=C([O-])N=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)S1	REAL300029950652	1	39	-2.0	-111.31	341.15	-0.88	-112.19
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950723	1	46	-2.0	-149.69	375.16	5.48	-144.21
O=C(C1=CC2=CC=CC=C2C=C1[O-])N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950731	1	46	-2.0	-151.60	375.12	5.80	-145.80
O=C(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1=CC=C([O-])C=C1	REAL300029950778	1	42	-2.0	-118.08	350.76	2.02	-116.06
O=C(C1=CN=C(C=N[O-])S1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950809	0	39	-2.0	-120.21	348.24	0.02	-120.19
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)[C@H]2C1	REAL300029950841	1	39	-2.0	-113.05	343.09	2.15	-110.90
CSC1=NC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C(=O)[N-]1	REAL300029950865	1	42	-2.0	-131.39	369.28	0.28	-131.11
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC(=O)NC([O-])=C3)[C@H]2C1	REAL300029950873	0	40	-2.0	-112.70	334.94	-2.63	-115.33
CCN1[N-]C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=CC1=O	REAL300029950953	0	43	-2.0	-119.83	358.99	1.40	-118.43
CN1[N-]C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=CC1=O	REAL300029950972	0	40	-2.0	-118.45	337.19	0.47	-117.98
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029950988	0	40	-2.0	-115.46	352.75	-1.48	-116.94
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029951144	1	40	-2.0	-128.90	337.25	-0.66	-129.56
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C(F)=C3)[C@H]2C1	REAL300029951151	1	40	-2.0	-120.03	334.60	1.86	-118.17
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC(F)=C([O-])C(F)=C3)[C@H]2C1	REAL300029951206	0	40	-2.0	-115.70	340.83	1.89	-113.81
O=C(C1=CC=NC(Cl)=C1[O-])N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300029951211	0	39	-2.0	-138.01	337.54	2.00	-136.01
CC1=C(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C(=O)N(C)[N-]1	REAL300029951229	0	46	-2.0	-136.53	379.32	1.73	-134.80
O=C(CCC(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1=CC=C([O-])C=C1	REAL300029951239	1	48	-2.0	-112.88	399.52	3.55	-109.33
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CN1N=C(C(=O)N2CCC3(CCC3)C(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029956077	0	45	-2.0	-107.44	371.22	-0.37	-107.81
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NC1=NC=C(C(=O)N2CCC3(CCC3)C(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029956314	0	46	-2.0	-104.54	381.25	-0.39	-104.93
NC1=NC=C(C(=O)N2CCC3(CCC3)C(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029956314	1	46	-2.0	-104.54	381.25	-0.39	-104.93
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CC1SC(C(=O)N2CCC3(CCC3)C(NC(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029956428	0	45	-2.0	-96.87	380.77	0.26	-96.61
CC1=C([O-])N=C(C(=O)N2CCC3(CCC3)C(NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029956428	1	45	-2.0	-96.87	380.77	0.26	-96.61
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CCN1[N-]C(C(=O)N2CCC3(CCC3)C(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029956590	0	49	-2.0	-103.51	398.32	2.12	-101.39
CN1[N-]C(C(=O)N2CCC3(CCC3)C(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029956606	0	46	-2.0	-102.56	376.36	1.19	-101.37
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CC1=CN=C(C(=O)N2CCC3(CCC3)C(NC(=O)C3=CC(=O)[N-]O3)C2)C(O)=C1	REAL300029956769	0	48	-2.0	-121.35	387.35	3.73	-117.62
CC1=CN=C(C(=O)N2CCC3(CCC3)C(NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029956769	1	48	-2.0	-121.35	387.35	3.73	-117.62
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CCN1[N-]C(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029958417	0	49	-2.0	-89.57	402.82	1.97	-87.60
O=C(CC1=CC(=O)N[N-]1)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958424	1	46	-2.0	-93.74	378.95	-0.05	-93.79
CN1N=C(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029958451	0	45	-2.0	-95.28	376.41	-0.47	-95.75
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300029958514	0	44	-2.0	-87.06	363.32	1.48	-85.58
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300029958585	0	43	-2.0	-86.87	358.28	-0.67	-87.54
C[PH](C)([O-])C(=O)C(=O)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958590	0	48	-2.0	-84.36	392.81	0.55	-83.81
O=C(CCC1=NC(=O)NN1)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958612	0	48	-2.0	-99.99	394.21	-1.01	-101.00
O=C(CCC1=NC(=O)[N-]N1)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958612	1	48	-2.0	-99.99	394.21	-1.01	-101.00
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300029958615	0	46	-2.0	-105.24	378.51	3.55	-101.69
CC1SC(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029958636	0	45	-2.0	-98.17	385.05	-0.56	-98.73
CC1=C([O-])N=C(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029958636	1	45	-2.0	-98.17	385.05	-0.56	-98.73
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300029958654	0	46	-2.0	-103.72	382.10	3.38	-100.34
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300029958679	0	46	-2.0	-111.84	379.17	4.40	-107.44
O=C(CC1=NC([O-])=CS1)NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029958798	0	45	-2.0	-103.16	385.60	-0.77	-103.93
CC1=CC(=O)C(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029958968	0	47	-2.0	-89.96	386.99	3.13	-86.83
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)N[N-]1	REAL300029958979	0	42	-2.0	-93.99	353.68	-1.97	-95.96
CN1[N-]C(C(=O)NCC2(C3CC3)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029959180	0	46	-2.0	-92.39	381.91	1.02	-91.37
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300029959286	0	44	-2.0	-88.53	373.48	-2.25	-90.78
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300029959286	1	44	-2.0	-88.53	373.48	-2.25	-90.78
O=C(NCC1(C2CC2)CCN(C(=O)C2=NC=CC=C2O)C1)C1=CC(=O)[N-]O1	REAL300029959641	0	45	-2.0	-108.59	370.73	3.37	-105.22
O=C(NCC1(C2CC2)CCN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029959641	1	45	-2.0	-108.59	370.73	3.37	-105.22
O=C(NCC1(C2CC2)CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029959744	0	44	-2.0	-92.85	369.53	-2.40	-95.25
O=C(CN1C(=O)[N-]NC1=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029959852	0	46	-2.0	-97.92	388.71	-0.96	-98.88
N#CC1=CC([O-])=CC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)=C1	REAL300029960788	1	47	-2.0	-89.58	395.76	2.94	-86.64
O=C(NCC1(C2CC2)CCN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029960858	1	42	-2.0	-89.15	353.17	-0.43	-89.58
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300029960931	1	46	-2.0	-90.35	382.19	2.68	-87.67
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300029960936	0	45	-2.0	-88.31	378.35	2.08	-86.23
N#CC1=CC=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)C=C1[O-]	REAL300029960939	1	47	-2.0	-88.99	395.63	2.99	-86.00
CC1=CC=C([O-])C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)=N1	REAL300029960998	1	48	-2.0	-109.60	392.34	3.96	-105.64
O=C(CCC1=NC(=O)[N-]N1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029960999	1	48	-2.0	-116.90	394.30	-0.02	-116.92
O=C(NCC1(C2CC2)CCN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300029961010	0	44	-2.0	-86.38	364.06	1.21	-85.17
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029961017	0	46	-2.0	-110.70	377.85	4.17	-106.53
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029961089	1	46	-2.0	-108.36	378.17	2.56	-105.80
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029961164	0	43	-2.0	-91.71	359.37	0.34	-91.37
C[PH](C)([O-])C(=O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029961170	0	48	-2.0	-86.77	397.76	0.56	-86.21
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300029961229	0	46	-2.0	-100.62	389.87	3.41	-97.21
O=C(NCC1(C2CC2)CCN(C(=O)C2=NC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029961246	0	42	-2.0	-88.86	352.81	-1.06	-89.92
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300029961251	0	46	-2.0	-110.50	382.64	3.17	-107.33
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(F)=CC=C2O)C1)C1=CC(=O)[N-]O1	REAL300029961371	0	46	-2.0	-96.49	381.96	3.90	-92.59
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029961371	1	46	-2.0	-96.49	381.96	3.90	-92.59
CC1=CC=NC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)=C1O	REAL300029961418	0	48	-2.0	-108.54	391.05	4.07	-104.47
CC1=CC=NC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)=C1[O-]	REAL300029961418	1	48	-2.0	-108.54	391.05	4.07	-104.47
O=C(NCC1(C2CC2)CCN(C(=O)C2=CN=CC(O)=C2)C1)C1=CC(=O)[N-]O1	REAL300029961486	0	45	-2.0	-91.50	369.78	0.75	-90.75
O=C(NCC1(C2CC2)CCN(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029961486	1	45	-2.0	-91.50	369.78	0.75	-90.75
O=C(CC1=NC([O-])=CS1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029961588	0	45	-2.0	-140.11	387.45	0.16	-139.95
CC1=CC(=O)C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)=N[N-]1	REAL300029961711	0	47	-2.0	-93.63	386.73	3.47	-90.16
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300029961729	0	46	-2.0	-123.33	377.01	4.03	-119.30
N#CC1=CC=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)C(=O)[N-]1	REAL300029961749	0	46	-2.0	-91.46	398.94	1.08	-90.38
CN1N=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)[N-]C1=O	REAL300029961779	0	45	-2.0	-95.06	375.57	-0.14	-95.20
N#CC1=CC=C([O-])C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)=C1	REAL300029961820	0	47	-2.0	-93.96	396.41	4.26	-89.70
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029961918	1	46	-2.0	-129.85	380.86	3.39	-126.46
O=C(NCC1(C2CC2)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300029961976	0	44	-2.0	-107.81	370.66	-1.11	-108.92
O=C(NCC1(C2CC2)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029961976	1	44	-2.0	-107.81	370.66	-1.11	-108.92
NC1=NC=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)C(=O)N1	REAL300029962016	0	46	-2.0	-95.96	379.54	-0.09	-96.05
NC1=NC=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)C(=O)[N-]1	REAL300029962016	1	46	-2.0	-95.96	379.54	-0.09	-96.05
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300029962113	0	42	-2.0	-92.03	353.02	-0.19	-92.22
CC1SC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)=NC1=O	REAL300029962130	0	45	-2.0	-95.28	384.99	0.34	-94.94
CC1=C([O-])N=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)S1	REAL300029962130	1	45	-2.0	-95.28	384.99	0.34	-94.94
O=C(NCC1(C2CC2)CCN(C(=O)C(=O)C2=CC=C(O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300029962209	0	48	-2.0	-114.44	395.45	3.77	-110.67
O=C(NCC1(C2CC2)CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300029962209	1	48	-2.0	-114.44	395.45	3.77	-110.67
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029962247	0	46	-2.0	-87.29	389.17	-1.52	-88.81
CCN1[N-]C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)=CC1=O	REAL300029962292	0	49	-2.0	-92.17	402.58	2.31	-89.86
CN1[N-]C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)=CC1=O	REAL300029962308	0	46	-2.0	-91.25	380.77	1.38	-89.87
O=C(CC1=CC(=O)NN1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029962398	0	46	-2.0	-96.28	382.20	0.09	-96.19
O=C(CC1=CC(=O)N[N-]1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)(C2CC2)C1	REAL300029962398	1	46	-2.0	-96.28	382.20	0.09	-96.19
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC=C(O)C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029962402	0	46	-2.0	-114.30	380.83	3.42	-110.88
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029962402	1	46	-2.0	-114.30	380.83	3.42	-110.88
CC1=CN=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)C(O)=C1	REAL300029962471	0	48	-2.0	-110.23	392.17	4.01	-106.22
CC1=CN=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C3CC3)C2)C([O-])=C1	REAL300029962471	1	48	-2.0	-110.23	392.17	4.01	-106.22
O=C(NCC1(C2CC2)CCN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300029962484	0	43	-2.0	-98.24	365.50	1.44	-96.80
O=C(NCC1(C2CC2)CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300029962497	0	46	-2.0	-103.36	388.89	3.40	-99.96
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOC2)C1=COC(=O)[N-]1	REAL300029962894	1	46	-2.0	-93.83	369.48	-3.68	-97.51
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOC2)C1=CC(=O)N[N-]1	REAL300029962978	0	47	-2.0	-88.23	374.04	-2.83	-91.06
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOC2)C1=NC(=O)N[N-]1	REAL300029963052	0	46	-2.0	-92.87	368.44	-3.88	-96.75
O=C(NCC1CN(C(=O)C2=COC(=O)[N-]2)CCC12CCOC2)C1=CC(=O)[N-]O1	REAL300029963487	1	46	-2.0	-85.99	368.97	-2.22	-88.21
O=C(NCC1CN(C(=O)C2=CC(=O)N[N-]2)CCC12CCOC2)C1=CC(=O)[N-]O1	REAL300029963544	0	47	-2.0	-94.15	374.18	-2.29	-96.44
O=C(NCC1CN(C(=O)C2=NC(=O)N[N-]2)CCC12CCOC2)C1=CC(=O)[N-]O1	REAL300029963557	0	46	-2.0	-86.90	368.61	-2.92	-89.82
O=C(NCC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOC2)C1=CC(=O)[N-]O1	REAL300029963710	0	46	-2.0	-92.88	368.78	-2.35	-95.23
CN(CC1=CC=CC(CNC(=O)C2=CN([O-])C(=O)C=C2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964752	0	45	-2.0	-103.02	396.35	4.06	-98.96
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)NC([O-])=C2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964815	0	45	-2.0	-85.88	396.75	-0.84	-86.72
CN(CC1=CC=CC(CNC(=O)C2=COC(=O)[N-]2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964823	1	41	-2.0	-86.88	368.82	-1.00	-87.88
CCN1[N-]C(C(=O)NCC2=CC=CC(CN(C)C(=O)C3=CC(=O)[N-]O3)=C2)=CC1=O	REAL300029964914	0	48	-2.0	-89.87	418.20	2.64	-87.23
CN(CC1=CC=CC(CNC(=O)CC2=CC(=O)N[N-]2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964920	1	45	-2.0	-95.87	394.32	0.63	-95.24
CN(CC1=CC=CC(CNC(=O)C2=NN(C)C(=O)[N-]2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964933	0	44	-2.0	-92.76	390.89	0.21	-92.55
CN(CC1=CC=CC(CNC(=O)C2=C[N-]N=CC2=O)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029964974	0	43	-2.0	-80.16	379.05	2.17	-77.99
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)N[N-]2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965021	0	42	-2.0	-86.48	373.64	-0.01	-86.49
CN(CC1=CC=CC(CNC(=O)C(=O)[PH](C)(C)[O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965025	0	47	-2.0	-102.42	408.51	1.53	-100.89
CN(CC1=CC=CC(CNC(=O)C2=CC=CN([O-])C2=O)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965042	0	45	-2.0	-98.78	395.36	4.25	-94.53
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)N([O-])C=C2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965067	0	45	-2.0	-103.47	396.73	4.06	-99.41
CN(CC1=CC=CC(CNC(=O)C2=CC=CC(=O)N2[O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965087	0	45	-2.0	-117.56	394.90	5.10	-112.46
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CN(CC1=CC=CC(CNC(=O)C2=NC(=O)N[N-]2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965293	0	41	-2.0	-86.64	368.24	-1.30	-87.94
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)N(C)[N-]2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029965434	0	45	-2.0	-89.12	396.46	1.70	-87.42
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CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C1=COC(=O)[N-]1	REAL300029966618	1	41	-2.0	-88.99	369.20	0.38	-88.61
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CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C1=CC([O-])=CC(=O)O1	REAL300029966672	0	44	-2.0	-87.08	394.03	2.74	-84.34
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CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C1=C[N-]N=CC1=O	REAL300029966720	0	43	-2.0	-85.31	387.23	1.89	-83.42
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C1=CC=CC(F)=C1[O-]	REAL300029966727	0	45	-2.0	-102.69	397.75	4.13	-98.56
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C1=CC=CC([O-])=C1F	REAL300029966774	1	45	-2.0	-99.57	398.00	3.33	-96.24
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C1=CC(=O)N[N-]1	REAL300029966831	0	42	-2.0	-86.26	373.47	0.40	-85.86
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CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C1=NC(N)=CC(=O)[N-]1	REAL300029966951	0	45	-2.0	-104.17	398.07	0.14	-104.03
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C1=CC(F)=CC=C1[O-]	REAL300029966971	1	45	-2.0	-95.09	400.05	3.79	-91.30
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CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C1=CC=C(F)C([O-])=C1	REAL300029967338	1	45	-2.0	-97.03	397.94	3.32	-93.71
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C1=CN=C(N)NC1=O	REAL300029967401	0	45	-2.0	-95.34	402.91	0.58	-94.76
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C1=CN=C(N)[N-]C1=O	REAL300029967401	1	45	-2.0	-95.34	402.91	0.58	-94.76
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300029967470	0	41	-2.0	-90.54	369.57	0.51	-90.03
CN(CC1=CC=CC(CNC(=O)C2=CC(=O)[N-]O2)=C1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300029967559	0	45	-2.0	-85.31	405.48	-0.87	-86.18
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CC1=CC(=O)C(C(=O)NC2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2CO)=N[N-]1	REAL300029969635	0	47	-2.0	-104.99	371.75	0.41	-104.58
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O=C(NC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CCC1CO)C1=CC(=O)[N-]O1	REAL300029970349	0	44	-2.0	-110.59	353.95	-4.78	-115.37
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CC1=CC=NC(C(=O)N2CCC(CO)C(NC(=O)C3=CC(=O)[N-]O3)CC2)=C1[O-]	REAL300029971766	1	48	-2.0	-129.14	378.09	2.08	-127.06
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CC1=CC(=O)C(C(=O)N2CCC(CO)C(NC(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300029972006	0	47	-2.0	-107.20	371.13	1.10	-106.10
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CN1[N-]C(C(=O)N2CCC(CO)C(NC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300029972521	0	46	-2.0	-104.80	365.26	-1.01	-105.81
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CN1[N-]C(C(=O)N2CCC3(C2)CCCCC3NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300029975427	0	49	-2.0	-93.26	391.61	1.84	-91.42
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CC(C)CN1[N-]C(CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029976900	0	49	-2.0	-101.78	417.57	-2.15	-103.93
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CC(=O)[N-]C1=NC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029976977	1	39	-2.0	-93.70	362.55	-5.46	-99.16
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COC1=C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029977265	1	40	-2.0	-97.88	357.55	-7.92	-105.80
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]C1=O	REAL300029977395	0	35	-2.0	-95.82	323.97	-9.18	-105.00
O=C(CN1C(=O)[N-]NC1=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029977508	0	37	-2.0	-99.37	338.16	-7.43	-106.80
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029977656	0	41	-2.0	-97.78	372.02	-4.50	-102.28
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)C=C1	REAL300029978406	0	37	-2.0	-105.47	335.05	-2.96	-108.43
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)NC([O-])=C1	REAL300029978583	0	37	-2.0	-92.87	335.52	-7.85	-100.72
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300029978598	1	33	-2.0	-97.61	307.58	-8.01	-105.62
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C2CCC2)[N-]C1=O	REAL300029978653	1	45	-2.0	-100.86	384.40	-3.37	-104.23
CCN1[N-]C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029978835	0	40	-2.0	-97.30	356.95	-4.39	-101.69
O=C(CC1=CC(=O)N[N-]1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978845	1	37	-2.0	-97.29	333.07	-6.38	-103.67
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=S)N1[O-]	REAL300029978868	0	37	-2.0	-117.82	342.57	-2.25	-120.07
O=C(CC1SC(=O)[N-]C1=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029978884	0	37	-2.0	-89.01	346.18	-7.86	-96.87
CN1N=C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029978901	0	36	-2.0	-99.55	329.66	-6.81	-106.36
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300029979031	0	35	-2.0	-90.62	316.62	-4.86	-95.48
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C2N=NN([O-])C2=C1	REAL300029979072	0	39	-2.0	-101.08	351.61	-4.44	-105.52
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300029979177	0	34	-2.0	-94.08	312.41	-7.02	-101.10
C[PH](C)([O-])C(=O)C(=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979181	0	39	-2.0	-99.77	350.98	-5.70	-105.47
O=C(CCC1=NC(=O)NN1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979219	0	39	-2.0	-104.42	348.67	-7.32	-111.74
O=C(CCC1=NC(=O)[N-]N1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979219	1	39	-2.0	-104.42	348.67	-7.32	-111.74
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300029979227	0	37	-2.0	-114.43	332.67	-2.79	-117.22
CSC1=NC=C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029979251	0	39	-2.0	-100.33	358.81	-4.97	-105.30
CSC1=NC=C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029979251	1	39	-2.0	-100.33	358.81	-4.97	-105.30
CC1SC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300029979274	0	36	-2.0	-105.13	339.18	-6.91	-112.04
CC1=C([O-])N=C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029979274	1	36	-2.0	-105.13	339.18	-6.91	-112.04
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)N1	REAL300029979294	0	36	-2.0	-90.64	342.56	-3.71	-94.35
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300029979294	1	36	-2.0	-90.64	342.56	-3.71	-94.35
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300029979313	0	37	-2.0	-106.49	335.42	-2.94	-109.43
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300029979376	0	37	-2.0	-113.86	331.46	-2.99	-116.85
NC1=NC([O-])=C(CC(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029979562	0	38	-2.0	-107.57	354.14	-7.94	-115.51
O=C(CC1=NC([O-])=CS1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029979630	0	36	-2.0	-104.65	338.92	-7.10	-111.75
CCC1=NC=C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029979656	0	41	-2.0	-99.18	357.56	-4.50	-103.68
CCC1=NC=C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029979656	1	41	-2.0	-99.18	357.56	-4.50	-103.68
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C(Cl)C(=O)[N-]S1	REAL300029979754	0	33	-2.0	-93.57	329.97	-5.71	-99.28
COCC1=NC=C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029979866	1	42	-2.0	-99.67	370.49	-6.26	-105.93
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(CC2CC2)[N-]C1=O	REAL300029979879	1	45	-2.0	-99.33	388.48	-2.90	-102.23
CC1=CC(=O)C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029979976	0	38	-2.0	-100.92	341.56	-3.26	-104.18
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)N[N-]1	REAL300029979996	0	33	-2.0	-96.57	307.00	-8.31	-104.88
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300029980015	1	38	-2.0	-94.26	349.97	-3.95	-98.21
CC1=NC2=NC=C(C(=O)NC3(CO)CN(C(=O)C4=CC(=O)[N-]O4)C3)C(=O)N2[N-]1	REAL300029980042	0	41	-2.0	-98.14	364.70	-1.74	-99.88
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C=N[O-])S1	REAL300029980150	0	36	-2.0	-102.62	347.79	-5.43	-108.05
COC1=NC(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029980170	0	39	-2.0	-96.59	353.13	-9.01	-105.60
CN1[N-]C(C(=O)NC2(CO)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029980394	0	37	-2.0	-96.47	335.15	-5.31	-101.78
O=C(CSC1=NNC(=O)[N-]1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980405	0	37	-2.0	-95.86	349.47	-7.19	-103.05
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300029980626	0	35	-2.0	-98.93	325.53	-10.08	-109.01
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300029980626	1	35	-2.0	-92.23	326.18	-9.31	-101.54
O=C(COC1=NC(=O)[N-]C(=O)N1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980708	0	39	-2.0	-97.78	359.38	-10.95	-108.73
O=C(COC1=NC(=O)NC(=O)[N-]1)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980708	1	39	-2.0	-91.83	359.58	-10.85	-102.68
O=C(CN1[N-]C(=O)C=CC1=O)NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300029980861	0	39	-2.0	-98.42	354.19	-6.43	-104.85
O=C(NC1(CO)CN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029981107	1	36	-2.0	-110.37	323.81	-3.26	-113.63
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029981237	1	42	-2.0	-101.01	376.37	-4.68	-105.69
CC(=O)[N-]C1=NC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300029981255	1	39	-2.0	-90.62	362.06	-5.16	-95.78
O=C(NC1(CO)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029981296	0	35	-2.0	-100.58	323.41	-8.91	-109.49
COC1=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300029981366	1	40	-2.0	-97.75	355.32	-7.72	-105.47
O=C(CN1C(=O)[N-]NC1=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029981577	0	37	-2.0	-104.07	340.65	-7.29	-111.36
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029981647	0	41	-2.0	-105.00	374.20	-4.40	-109.40
O=C(CCCN1C(=O)[N-]NC1=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029982844	0	43	-2.0	-104.48	382.79	-6.09	-110.57
CC(C)CN1[N-]C(CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029983055	0	49	-2.0	-109.70	420.03	-2.00	-111.70
O=C(NC1(CO)CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029983115	1	42	-2.0	-113.35	366.81	-2.99	-116.34
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029983368	0	42	-2.0	-90.37	373.21	-4.80	-95.17
CC1=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C(C)C)=N1	REAL300029983923	1	47	-2.0	-117.69	405.44	-3.44	-121.13
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984270	0	41	-2.0	-101.22	370.62	-8.81	-110.03
O=C(NC1(CO)CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029984280	0	39	-2.0	-101.78	352.97	-1.92	-103.70
O=C(NC1(CO)CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029984299	1	37	-2.0	-112.45	344.42	-1.71	-114.16
N#CC1=CC([O-])=CC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029984340	1	38	-2.0	-92.73	347.89	-3.38	-96.11
NC1=CC=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1Cl	REAL300029984377	0	39	-2.0	-119.47	356.23	-3.71	-123.18
O=C(NC1(CO)CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029984449	0	39	-2.0	-121.12	354.28	-1.03	-122.15
CCC1=NC=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029984488	1	41	-2.0	-110.00	365.89	-4.79	-114.79
O=C(NC1(CO)CN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029984518	1	33	-2.0	-93.27	307.28	-7.41	-100.68
O=C(NC1(CO)CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300029984615	0	39	-2.0	-122.10	356.91	-2.22	-124.32
O=C(C[N-]C(=O)C(F)(F)F)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984635	0	36	-2.0	-96.61	344.71	-6.99	-103.60
NC1=NC([O-])=C(CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029984636	0	38	-2.0	-120.23	356.31	-7.83	-128.06
O=C(NC1(CO)CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300029984649	0	37	-2.0	-92.51	348.23	-3.41	-95.92
O=C(NC1(CO)CN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300029984682	1	37	-2.0	-100.08	334.91	-3.71	-103.79
O=C(NC1(CO)CN(C(=O)C2=CC([O-])=C3SC=CC3=C2)C1)C1=CC(=O)[N-]O1	REAL300029984693	1	40	-2.0	-100.95	363.90	-2.42	-103.37
O=C(NC1(CO)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300029984696	0	36	-2.0	-93.73	332.14	-4.31	-98.04
N#CC1=CC=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300029984711	1	38	-2.0	-106.46	347.17	-3.32	-109.78
O=C(NC1(CO)CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029984717	0	36	-2.0	-106.54	337.58	-3.54	-110.08
N#CC1=CC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=C(N)[N-]C1=O	REAL300029984726	0	39	-2.0	-97.96	363.17	-6.43	-104.39
O=C(CN1N=CC(=O)[N-]C1=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984747	0	38	-2.0	-115.45	350.73	-8.40	-123.85
CC1=CC=C([O-])C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300029984860	1	39	-2.0	-111.26	345.42	-2.66	-113.92
O=C(CCC1=NC(=O)[N-]N1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029984864	1	39	-2.0	-105.25	350.66	-7.20	-112.45
O=C(NC1(CO)CN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300029984893	0	35	-2.0	-99.16	315.02	-4.17	-103.33
O=C(NC1(CO)CN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029984908	0	37	-2.0	-119.82	334.49	-2.32	-122.14
O=C(NC1(CO)CN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029985066	1	37	-2.0	-114.97	334.77	-3.71	-118.68
O=C(NC1(CO)CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029985164	0	39	-2.0	-107.00	353.00	-1.96	-108.96
O=C(NC1(CO)CN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029985243	0	34	-2.0	-96.16	312.45	-6.84	-103.00
C[PH](C)([O-])C(=O)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985251	0	39	-2.0	-95.30	345.41	-5.64	-100.94
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029985286	0	42	-2.0	-112.24	380.31	-2.06	-114.30
O=C(NC1(CO)CN(C(=O)C2=CN=C(CC3CC3)NC2=O)C1)C1=CC(=O)[N-]O1	REAL300029985310	0	45	-2.0	-109.97	396.81	-3.18	-113.15
O=C(NC1(CO)CN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029985310	1	45	-2.0	-109.97	396.81	-3.18	-113.15
COCC1=NC=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300029985336	0	42	-2.0	-109.72	378.82	-6.54	-116.26
COCC1=NC=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029985336	1	42	-2.0	-109.72	378.82	-6.54	-116.26
CC1=CC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300029985346	0	42	-2.0	-103.45	373.04	-1.23	-104.68
O=C(NC1(CO)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300029985412	0	37	-2.0	-113.71	332.98	-3.20	-116.91
O=C(NC1(CO)CN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029985453	0	37	-2.0	-107.40	346.29	-3.55	-110.95
O=C(NC1(CO)CN(C(=O)C2=NNC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029985455	0	33	-2.0	-101.77	307.16	-8.32	-110.09
O=C(NC1(CO)CN(C(=O)C2=C(O)C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300029985460	0	37	-2.0	-99.61	350.64	-3.04	-102.65
O=C(NC1(CO)CN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300029985460	1	37	-2.0	-99.61	350.64	-3.04	-102.65
O=C(NC1(CO)CN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300029985470	0	37	-2.0	-129.53	341.10	-2.99	-132.52
O=C(NC1(CO)CN(C(=O)C2=C(F)C=CC(O)=C2F)C1)C1=CC(=O)[N-]O1	REAL300029985519	0	37	-2.0	-105.53	347.52	-3.44	-108.97
O=C(NC1(CO)CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029985519	1	37	-2.0	-105.53	347.52	-3.44	-108.97
N#CC1=CN(CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C1=O	REAL300029985680	0	40	-2.0	-119.88	375.14	-6.10	-125.98
O=C(NC1(CO)CN(C(=O)C2=CC(F)=CC=C2O)C1)C1=CC(=O)[N-]O1	REAL300029985766	0	37	-2.0	-111.54	334.14	-2.15	-113.69
O=C(NC1(CO)CN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029985766	1	37	-2.0	-111.54	334.14	-2.15	-113.69
CC1=CC=NC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300029985882	1	39	-2.0	-114.18	344.51	-2.56	-116.74
O=C(NC1(CO)CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029985951	0	37	-2.0	-118.04	350.07	-1.64	-119.68
O=C(NC1(CO)CN(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029986092	1	36	-2.0	-94.77	322.57	-5.59	-100.36
O=C(NC1(CO)CN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300029986108	0	37	-2.0	-134.33	341.20	-1.26	-135.59
O=C(NC1(CO)CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029986283	1	45	-2.0	-112.78	382.67	-2.44	-115.22
NC1=CC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC([O-])=C1Cl	REAL300029986302	1	39	-2.0	-95.09	355.75	-5.41	-100.50
O=C(NC1(CO)CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=CC(=O)[N-]O1	REAL300029986307	0	36	-2.0	-90.22	342.11	-4.46	-94.68
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986385	0	41	-2.0	-96.37	366.84	-3.80	-100.17
O=C(NC1(CO)CN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300029986392	1	37	-2.0	-98.17	343.36	-3.25	-101.42
N#CC1=CC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=C([O-])C=C1N	REAL300029986395	0	40	-2.0	-107.86	361.98	-4.08	-111.94
O=C(CC1=NC([O-])=CS1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986410	0	36	-2.0	-120.34	341.01	-6.97	-127.31
O=C(NC1(CO)CN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=CC(=O)[N-]O1	REAL300029986438	0	37	-2.0	-101.28	341.15	-3.41	-104.69
O=C(CN1[N-]C(=O)C=CC1=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986442	0	39	-2.0	-107.13	356.49	-6.29	-113.42
O=C(NC1(CO)CN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029986447	0	37	-2.0	-113.22	334.67	-2.31	-115.53
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986507	0	40	-2.0	-101.90	360.60	-2.86	-104.76
O=C(CC1SC(=O)[N-]C1=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986621	0	37	-2.0	-92.63	348.49	-7.74	-100.37
O=C(NC1(CO)CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=CC(=O)[N-]O1	REAL300029986655	0	37	-2.0	-104.38	340.44	-3.60	-107.98
O=C(NC1(CO)CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300029986659	1	38	-2.0	-97.90	357.40	-5.03	-102.93
O=C(NC1(CO)CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029986666	0	37	-2.0	-113.92	344.30	-1.85	-115.77
CC1=CC(=O)C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300029986710	0	38	-2.0	-100.33	340.56	-3.04	-103.37
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986715	0	42	-2.0	-118.03	372.93	-3.22	-121.25
O=C(NC1(CO)CN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300029986754	0	37	-2.0	-131.44	330.09	-2.30	-133.74
N#CC1=CC=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029986804	0	37	-2.0	-106.52	350.81	-5.28	-111.80
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986805	0	39	-2.0	-101.49	361.60	-10.68	-112.17
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986805	1	39	-2.0	-95.24	361.32	-10.67	-105.91
O=C(NC1(CO)CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300029986837	0	39	-2.0	-97.34	358.53	-2.00	-99.34
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029986871	0	40	-2.0	-94.67	364.89	-2.50	-97.17
CN1N=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300029986887	0	36	-2.0	-104.92	329.90	-6.64	-111.56
[N-]=[N+]=NC1=CC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC=C1[O-]	REAL300029986934	0	39	-2.0	-93.58	354.77	-5.91	-99.49
O=C(NC1(CO)CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029986981	1	38	-2.0	-112.12	351.89	-5.34	-117.46
N#CC1=CC=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029986982	0	38	-2.0	-110.84	349.07	-1.97	-112.81
N#CC1=CC=C([O-])C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300029986996	0	38	-2.0	-108.14	348.57	-1.81	-109.95
O=C(NC1(CO)CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=CC(=O)[N-]O1	REAL300029987159	0	37	-2.0	-98.82	336.30	-4.60	-103.42
O=C(NC1(CO)CN(C(=O)C2=CC=C(F)C(O)=C2)C1)C1=CC(=O)[N-]O1	REAL300029987243	0	37	-2.0	-111.03	333.24	-3.70	-114.73
O=C(NC1(CO)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029987243	1	37	-2.0	-111.03	333.24	-3.70	-114.73
O=C(NC1(CO)CN(C(=O)C2=C(O)C3=NC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029987253	0	42	-2.0	-129.06	368.50	-1.73	-130.79
O=C(NC1(CO)CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029987253	1	42	-2.0	-129.06	368.50	-1.73	-130.79
O=C(NC1(CO)CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029987257	0	39	-2.0	-110.11	356.43	-1.72	-111.83
O=C(NC1(CO)CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029987261	0	39	-2.0	-102.87	355.90	-1.54	-104.41
O=C(NC1(CO)CN(C(=O)C2=CC=C(Cl)C=C2O)C1)C1=CC(=O)[N-]O1	REAL300029987275	0	37	-2.0	-113.02	345.00	-1.86	-114.88
O=C(NC1(CO)CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029987275	1	37	-2.0	-113.02	345.00	-1.86	-114.88
O=C(NC1(CO)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300029987416	0	35	-2.0	-96.76	325.34	-9.59	-106.35
O=C(NC1(CO)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029987416	1	35	-2.0	-90.52	326.09	-8.81	-99.33
O=C(NC1(CO)CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1)C1=CC(=O)[N-]O1	REAL300029987466	0	39	-2.0	-96.74	349.78	-4.76	-101.50
O=C(NC1(CO)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1)C1=CC(=O)[N-]O1	REAL300029987515	1	42	-2.0	-116.10	369.01	-0.92	-117.02
O=C(NC1(CO)CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=CC(=O)[N-]O1	REAL300029987516	0	33	-2.0	-95.74	327.92	-5.84	-101.58
NC1=NC=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029987545	1	37	-2.0	-110.25	339.25	-6.44	-116.69
CC1=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300029987588	0	40	-2.0	-92.03	361.87	-3.86	-95.89
O=C(NC1(CO)CN(C(=O)C2=CC=C(F)C([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300029987617	0	37	-2.0	-116.70	340.40	-3.63	-120.33
O=C(NC1(CO)CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1)C1=CC(=O)[N-]O1	REAL300029987690	0	37	-2.0	-94.83	349.23	-3.25	-98.08
O=C(NC1(CO)CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029987699	1	38	-2.0	-92.53	347.10	-4.38	-96.91
COC1=NC(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300029987706	0	39	-2.0	-102.29	351.61	-8.58	-110.87
O=C(NC1(CO)CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1)C1=CC(=O)[N-]O1	REAL300029987709	0	39	-2.0	-109.54	355.77	-5.03	-114.57
O=C(NC1(CO)CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029987722	0	36	-2.0	-110.12	340.39	-2.74	-112.86
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029987729	1	40	-2.0	-109.33	372.37	-2.12	-111.45
O=C(NC1(CO)CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029987781	0	37	-2.0	-107.05	343.04	-3.21	-110.26
O=C(NC1(CO)CN(C(=O)C2=CC=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029987793	0	36	-2.0	-110.30	319.94	-4.05	-114.35
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300029987803	0	33	-2.0	-97.89	307.15	-6.54	-104.43
CC1=C([O-])N=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300029987854	1	36	-2.0	-100.95	339.18	-6.47	-107.42
O=C(NC1(CO)CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300029987916	1	43	-2.0	-121.82	379.94	-1.20	-123.02
O=C(NC1(CO)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300029987935	1	43	-2.0	-119.70	373.23	-0.03	-119.73
O=C(NC1(CO)CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029987944	1	43	-2.0	-123.39	374.35	-0.10	-123.49
O=C(NC1(CO)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300029988003	1	39	-2.0	-97.55	349.96	-3.54	-101.09
O=C(NC1(CO)CN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=CC(=O)[N-]O1	REAL300029988043	0	36	-2.0	-107.68	346.02	-5.56	-113.24
O=C(NC1(CO)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300029988081	1	36	-2.0	-94.36	342.21	-3.43	-97.79
CSC1=NC=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300029988112	1	39	-2.0	-111.36	367.20	-5.28	-116.64
O=C(NC1(CO)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300029988122	0	37	-2.0	-93.25	332.99	-8.21	-101.46
CCN1[N-]C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029988220	0	40	-2.0	-99.91	356.96	-4.19	-104.10
O=C(CNC(=O)C1=NC=CC=C1[O-])N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988232	1	43	-2.0	-110.32	385.72	-4.94	-115.26
CN1[N-]C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300029988246	0	37	-2.0	-97.65	334.95	-5.15	-102.80
O=C(NC1(CO)CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1)C1=CC(=O)[N-]O1	REAL300029988260	1	40	-2.0	-124.34	358.95	-5.18	-129.52
O=C(CSC1=NNC(=O)[N-]1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988265	0	37	-2.0	-100.88	351.71	-7.04	-107.92
CC1=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300029988267	1	39	-2.0	-121.36	364.38	-5.57	-126.93
CC1=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300029988278	1	45	-2.0	-116.63	395.10	-3.19	-119.82
O=C(NC1(CO)CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300029988345	1	42	-2.0	-112.57	374.72	-3.16	-115.73
O=C(CC1=CC(=O)N[N-]1)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300029988473	1	37	-2.0	-105.09	335.65	-6.24	-111.33
O=C(NC1(CO)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029988480	1	37	-2.0	-102.27	333.20	-3.65	-105.92
O=C(NC1(CO)CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300029988554	0	37	-2.0	-98.25	339.44	-3.73	-101.98
O=C(NC1(CO)CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029988560	0	36	-2.0	-111.85	336.89	-3.51	-115.36
CC1=C(CC(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300029988585	0	43	-2.0	-102.87	378.52	-3.84	-106.71
O=C(CCC(=O)N1CC(CO)(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C([O-])C=C1	REAL300029988597	1	45	-2.0	-99.49	397.61	-2.05	-101.54
CC1=CN=C(C(=O)N2CC(CO)(NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300029988641	1	39	-2.0	-115.85	345.64	-2.62	-118.47
O=C(NC1(CO)CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029988660	0	38	-2.0	-99.39	361.60	-5.71	-105.10
O=C(NC1(CO)CN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300029988686	0	34	-2.0	-108.04	319.79	-4.71	-112.75
O=C(NC1(CO)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300029988714	0	37	-2.0	-114.06	332.67	-3.26	-117.32
O=C(NC1(CO)CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300029988722	0	37	-2.0	-105.62	350.70	-1.80	-107.42
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)NC1=O	REAL300029988774	0	37	-2.0	-98.44	334.89	-3.58	-102.02
O=C(NC1(CO)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300029988807	1	38	-2.0	-89.69	348.94	-4.70	-94.39
O=C(NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1=NNC(=O)[N-]C1=O	REAL300029989631	0	44	-2.0	-92.72	358.19	-2.95	-95.67
O=C(CN1C(=O)[N-]NC1=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029989684	0	46	-2.0	-92.47	372.25	-1.24	-93.71
O=C(NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1=CN([O-])C(=O)C=C1	REAL300029990039	0	46	-2.0	-102.00	369.22	3.24	-98.76
O=C(NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1=CC(=O)NC([O-])=C1	REAL300029990112	0	46	-2.0	-90.67	369.85	-1.64	-92.31
O=C(NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1=COC(=O)[N-]1	REAL300029990123	1	42	-2.0	-96.60	341.81	-1.76	-98.36
CCN1[N-]C(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)=CC1=O	REAL300029990233	0	49	-2.0	-94.89	391.14	1.83	-93.06
O=C(CC1=CC(=O)N[N-]1)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990239	1	46	-2.0	-94.26	367.30	-0.14	-94.40
CN1N=C(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)[N-]C1=O	REAL300029990262	0	45	-2.0	-97.09	363.83	-0.62	-97.71
O=C(NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1=C[N-]N=CC1=O	REAL300029990317	0	44	-2.0	-89.51	350.88	1.37	-88.14
O=C(NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1=CC(=O)N[N-]1	REAL300029990380	0	43	-2.0	-91.98	346.75	-0.81	-92.79
C[PH](C)([O-])C(=O)C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990384	0	48	-2.0	-92.59	379.64	0.54	-92.05
O=C(CCC1=NNC(=O)[N-]1)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990405	0	48	-2.0	-91.74	382.60	-0.63	-92.37
O=C(NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1=CC=CN([O-])C1=O	REAL300029990408	0	46	-2.0	-114.45	366.94	3.45	-111.00
CC1SC(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)=NC1=O	REAL300029990428	0	45	-2.0	-105.68	373.05	-0.64	-106.32
CC1=C([O-])N=C(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)S1	REAL300029990428	1	45	-2.0	-105.68	373.05	-0.64	-106.32
O=C(NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1=CC(=O)N([O-])C=C1	REAL300029990441	0	46	-2.0	-103.23	369.60	3.25	-99.98
O=C(NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1=CC=CC(=O)N1[O-]	REAL300029990462	0	46	-2.0	-111.89	366.71	4.17	-107.72
O=C(CC1=NC([O-])=CS1)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300029990561	0	45	-2.0	-106.65	373.09	-0.91	-107.56
CC1=CC(=O)C(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)=N[N-]1	REAL300029990707	0	47	-2.0	-95.46	375.35	2.91	-92.55
O=C(NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1=NNC(=O)[N-]1	REAL300029990716	0	42	-2.0	-94.45	341.06	-2.29	-96.74
CN1[N-]C(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)=CC1=O	REAL300029990887	0	46	-2.0	-94.22	369.40	0.89	-93.33
O=C(NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1=NC(=O)[N-]C(=O)N1	REAL300029990975	0	44	-2.0	-90.47	360.52	-3.10	-93.57
O=C(NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1=NC(=O)NC(=O)[N-]1	REAL300029990975	1	44	-2.0	-90.47	360.52	-3.10	-93.57
O=C(NC12CCN(C(=O)C3=NC=CC=C3O)C1CCCC2)C1=CC(=O)[N-]O1	REAL300029991315	0	45	-2.0	-103.65	357.94	3.09	-100.56
O=C(NC12CCN(C(=O)C3=NC=CC=C3[O-])C1CCCC2)C1=CC(=O)[N-]O1	REAL300029991315	1	45	-2.0	-103.65	357.94	3.09	-100.56
O=C(NC12CCN(C(=O)C3=NNC(=O)[N-]C3=O)C1CCCC2)C1=CC(=O)[N-]O1	REAL300029991412	0	44	-2.0	-95.57	357.67	-2.68	-98.25
O=C(CN1C(=O)[N-]NC1=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300029991508	0	46	-2.0	-96.15	375.01	-1.02	-97.17
N#CC1=CC([O-])=CC(C(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCC23)=C1	REAL300029992295	1	47	-2.0	-95.95	383.92	2.87	-93.08
O=C(NC12CCN(C(=O)C3=COC(=O)[N-]3)C1CCCC2)C1=CC(=O)[N-]O1	REAL300029992353	1	42	-2.0	-93.11	341.41	-0.76	-93.87
O=C(NC12CCN(C(=O)C3=CC=C([O-])C=C3F)C1CCCC2)C1=CC(=O)[N-]O1	REAL300029992423	1	46	-2.0	-97.22	369.93	2.59	-94.63
O=C(NC12CCN(C(=O)C3=CC([O-])=CC(=O)O3)C1CCCC2)C1=CC(=O)[N-]O1	REAL300029992428	0	45	-2.0	-92.77	366.45	1.98	-90.79
N#CC1=CC=C(C(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCC23)C=C1[O-]	REAL300029992430	1	47	-2.0	-90.55	383.23	2.91	-87.64
CC1=CC=C([O-])C(C(=O)N2CCC3(NC(=O)C4=CC(=O)[N-]O4)CCCCC23)=N1	REAL300029992481	1	48	-2.0	-104.58	379.54	3.67	-100.91
O=C(NC12CCN(C(=O)C3=C[N-]N=CC3=O)C1CCCC2)C1=CC(=O)[N-]O1	REAL300029992493	0	44	-2.0	-88.37	359.48	1.15	-87.22
O=C(NC12CCN(C(=O)C3=CC=CC(F)=C3[O-])C1CCCC2)C1=CC(=O)[N-]O1	REAL300029992498	0	46	-2.0	-113.71	369.34	3.59	-110.12
O=C(NC12CCN(C(=O)C3=CC=CC([O-])=C3F)C1CCCC2)C1=CC(=O)[N-]O1	REAL300029992559	1	46	-2.0	-110.62	369.65	2.55	-108.07
O=C(NC12CCN(C(=O)C3=CC(=O)N[N-]3)C1CCCC2)C1=CC(=O)[N-]O1	REAL300029992622	0	43	-2.0	-91.78	346.26	-0.46	-92.24
C[PH](C)([O-])C(=O)C(=O)N1CCC2(NC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300029992627	0	48	-2.0	-90.96	385.03	0.62	-90.34
O=C(NC12CCN(C(=O)C3=CC(=O)N([O-])C=C3)C1CCCC2)C1=CC(=O)[N-]O1	REAL300029992679	0	46	-2.0	-110.11	376.36	3.29	-106.82
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O=C(NC1CCC2(CN(C(=O)C3=CC(Cl)=NC=C3[O-])C2)C1)C1=CC(=O)[N-]O1	REAL300030000441	0	42	-2.0	-95.08	372.87	1.68	-93.40
N#CC1=CC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)=C(N)[N-]C1=O	REAL300030000447	0	45	-2.0	-90.13	399.27	-1.10	-91.23
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000464	0	44	-2.0	-97.74	386.31	-3.12	-100.86
CC1=CC=C([O-])C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300030000535	1	45	-2.0	-103.60	381.59	2.70	-100.90
O=C(CCC1=NNC(=O)[N-]1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000537	0	45	-2.0	-92.74	386.59	-1.32	-94.06
O=C(NC1CCC2(CN(C(=O)C3=C[N-]N=CC3=O)C2)C1)C1=CC(=O)[N-]O1	REAL300030000556	0	41	-2.0	-93.52	351.20	1.15	-92.37
O=C(NC1CCC2(CN(C(=O)C3=CC=CC(F)=C3[O-])C2)C1)C1=CC(=O)[N-]O1	REAL300030000567	0	43	-2.0	-109.63	369.86	3.19	-106.44
O=C(NC1CCC2(CN(C(=O)C3=CC=CC([O-])=C3F)C2)C1)C1=CC(=O)[N-]O1	REAL300030000671	1	43	-2.0	-106.60	370.16	1.67	-104.93
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)N[N-]3)C2)C1)C1=CC(=O)[N-]O1	REAL300030000796	0	40	-2.0	-89.35	348.32	-1.48	-90.83
C[PH](C)([O-])C(=O)C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030000802	0	45	-2.0	-89.17	380.87	-0.40	-89.57
O=C(NC1CCC2(CN(C(=O)C3=CC(F)=CC(F)=C3[O-])C2)C1)C1=CC(=O)[N-]O1	REAL300030000882	0	43	-2.0	-99.86	376.06	3.26	-96.60
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)N([O-])C=C3)C2)C1)C1=CC(=O)[N-]O1	REAL300030000910	0	43	-2.0	-105.21	369.41	1.97	-103.24
O=C(NC1CCC2(CN(C(=O)C3=NC(=O)N[N-]3)C2)C1)C1=CC(=O)[N-]O1	REAL300030000939	0	39	-2.0	-90.42	343.10	-2.64	-93.06
O=C(NC1CCC2(CN(C(=O)C3=C([O-])C=CC=C3Cl)C2)C1)C1=CC(=O)[N-]O1	REAL300030000943	1	43	-2.0	-101.76	386.29	2.23	-99.53
O=C(NC1CCC2(CN(C(=O)C3=CC=CN([O-])C3=O)C2)C1)C1=CC(=O)[N-]O1	REAL300030000948	0	43	-2.0	-110.08	377.21	2.38	-107.70
O=C(NC1CCC2(CN(C(=O)C3=C(F)C=CC([O-])=C3F)C2)C1)C1=CC(=O)[N-]O1	REAL300030000978	1	43	-2.0	-93.34	382.82	1.85	-91.49
NC1=CC(=O)[N-]C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300030001076	0	43	-2.0	-98.66	372.12	-1.94	-100.60
O=C(NC1CCC2(CN(C(=O)C3=CC=C([O-])C(Cl)=C3)C2)C1)C1=CC(=O)[N-]O1	REAL300030001135	0	43	-2.0	-90.57	379.38	1.99	-88.58
O=C(NC1CCC2(CN(C(=O)C3=CC(F)=CC=C3[O-])C2)C1)C1=CC(=O)[N-]O1	REAL300030001140	1	43	-2.0	-98.33	370.12	3.00	-95.33
CC1=CC=NC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)=C1[O-]	REAL300030001207	1	45	-2.0	-102.66	380.31	2.80	-99.86
O=C(NC1CCC2(CN(C(=O)C3=CN=CC([O-])=C3)C2)C1)C1=CC(=O)[N-]O1	REAL300030001338	1	42	-2.0	-90.33	358.42	-0.37	-90.70
O=C(NC1CCC2(CN(C(=O)C3=CC=CC(=S)N3[O-])C2)C1)C1=CC(=O)[N-]O1	REAL300030001348	0	43	-2.0	-123.49	377.71	4.04	-119.45
O=C(NC1CCC2(CN(C(=O)C3=CC=C([O-])C(Cl)=N3)C2)C1)C1=CC(=O)[N-]O1	REAL300030001476	0	42	-2.0	-85.74	378.29	0.91	-84.83
O=C(NC1CCC2(CN(C(=O)C3=CC=C([O-])C=C3Cl)C2)C1)C1=CC(=O)[N-]O1	REAL300030001522	1	43	-2.0	-92.01	378.27	2.13	-89.88
N#CC1=CC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)=C([O-])C=C1N	REAL300030001524	0	46	-2.0	-97.49	397.29	1.31	-96.18
O=C(CC1=NC([O-])=CS1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001534	0	42	-2.0	-110.89	376.59	-1.71	-112.60
O=C(NC1CCC2(CN(C(=O)C3=C([O-])C=CC=C3F)C2)C1)C1=CC(=O)[N-]O1	REAL300030001549	0	43	-2.0	-97.16	376.80	1.85	-95.31
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001551	0	45	-2.0	-97.14	391.87	-1.08	-98.22
O=C(NC1CCC2(CN(C(=O)C3=CC=C(F)C=C3[O-])C2)C1)C1=CC(=O)[N-]O1	REAL300030001553	0	43	-2.0	-102.65	369.84	3.20	-99.45
CC1=CC=C(F)C([O-])=C1C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001593	0	46	-2.0	-101.09	396.64	2.40	-98.69
O=C(CC1SC(=O)[N-]C1=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001668	0	43	-2.0	-88.27	384.82	-2.38	-90.65
O=C(NC1CCC2(CN(C(=O)C3=CC=C([O-])C(F)=C3F)C2)C1)C1=CC(=O)[N-]O1	REAL300030001694	0	43	-2.0	-94.62	376.35	1.61	-93.01
O=C(NC1CCC2(CN(C(=O)C3=CC=CC(Cl)=C3[O-])C2)C1)C1=CC(=O)[N-]O1	REAL300030001701	0	43	-2.0	-104.05	379.66	3.66	-100.39
CC1=CC(=O)C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300030001732	0	44	-2.0	-93.79	376.75	2.31	-91.48
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030001736	0	48	-2.0	-106.56	409.36	2.05	-104.51
O=C(NC1CCC2(CN(C(=O)C3=CC=CC(=O)N3[O-])C2)C1)C1=CC(=O)[N-]O1	REAL300030001760	0	43	-2.0	-120.81	366.60	3.00	-117.81
N#CC1=CC=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030001793	0	43	-2.0	-98.29	386.41	0.00	-98.29
CN1N=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300030001848	0	42	-2.0	-97.38	366.32	-1.36	-98.74
[N-]=[N+]=NC1=CC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)=CC=C1[O-]	REAL300030001874	0	45	-2.0	-87.56	391.16	-0.73	-88.29
O=C(NC1CCC2(CN(C(=O)C3=C(F)C=CC(O)=C3[O-])C2)C1)C1=CC(=O)[N-]O1	REAL300030001910	1	44	-2.0	-98.28	387.19	-0.06	-98.34
N#CC1=CC=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300030001911	0	44	-2.0	-100.35	384.23	3.52	-96.83
N#CC1=CC=C([O-])C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030001920	0	44	-2.0	-95.42	385.17	3.31	-92.11
O=C(NC1CCC2(CN(C(=O)C3=CN([O-])C(=O)NC3=O)C2)C1)C1=CC(=O)[N-]O1	REAL300030002022	0	43	-2.0	-94.31	372.75	0.82	-93.49
O=C(NC1CCC2(CN(C(=O)C3=CC=C(F)C([O-])=C3)C2)C1)C1=CC(=O)[N-]O1	REAL300030002081	1	43	-2.0	-100.86	369.63	1.48	-99.38
O=C(NC1CCC2(CN(C(=O)C3=CC=C(Cl)C=C3[O-])C2)C1)C1=CC(=O)[N-]O1	REAL300030002101	1	43	-2.0	-102.52	380.16	3.65	-98.87
O=C(NC1CCC2(CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1)C1=CC(=O)[N-]O1	REAL300030002179	0	41	-2.0	-86.27	361.73	-3.45	-89.72
O=C(NC1CCC2(CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1)C1=CC(=O)[N-]O1	REAL300030002179	1	41	-2.0	-86.27	361.73	-3.45	-89.72
O=C(NC1CCC2(CN(C(=O)C3=CC=C4N=NN([O-])C4=C3)C2)C1)C1=CC(=O)[N-]O1	REAL300030002200	0	45	-2.0	-95.25	385.17	0.48	-94.77
O=C(NC1CCC2(CN(C(=O)C3=C(Cl)C(=O)[N-]S3)C2)C1)C1=CC(=O)[N-]O1	REAL300030002231	0	39	-2.0	-90.53	364.15	-0.59	-91.12
NC1=NC=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300030002249	0	43	-2.0	-102.23	365.62	0.04	-102.19
NC1=NC=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030002249	1	43	-2.0	-102.23	365.62	0.04	-102.19
CC1=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)[N-]C(=O)C(C#N)=C1	REAL300030002275	0	46	-2.0	-85.63	397.79	1.47	-84.16
O=C(NC1CCC2(CN(C(=O)C3=CC=C4N[N-]N=C4C3=O)C2)C1)C1=CC(=O)[N-]O1	REAL300030002344	0	45	-2.0	-93.48	391.86	0.35	-93.13
O=C(NC1CCC2(CN(C(=O)C3=NC=CC(Cl)=C3[O-])C2)C1)C1=CC(=O)[N-]O1	REAL300030002354	0	42	-2.0	-98.75	376.19	2.62	-96.13
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC(=O)[N-]O1	REAL300030002410	0	39	-2.0	-95.30	342.94	-1.27	-96.57
CC1SC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300030002436	0	42	-2.0	-95.60	374.96	-1.08	-96.68
CC1=C([O-])N=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030002436	1	42	-2.0	-95.60	374.96	-1.08	-96.68
O=C(NC1CCC2(CN(C(=O)C(=O)C3=CC=C(O)C=C3)C2)C1)C1=CC(=O)[N-]O1	REAL300030002535	0	45	-2.0	-90.47	386.52	1.71	-88.76
O=C(NC1CCC2(CN(C(=O)C(=O)C3=CC=C([O-])C=C3)C2)C1)C1=CC(=O)[N-]O1	REAL300030002535	1	45	-2.0	-90.47	386.52	1.71	-88.76
O=C(NC1CCC2(CN(C(=O)C3=CN=C(C=N[O-])S3)C2)C1)C1=CC(=O)[N-]O1	REAL300030002561	0	42	-2.0	-100.98	382.51	-0.28	-101.26
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)C=C(Cl)N3)C2)C1)C1=CC(=O)[N-]O1	REAL300030002586	0	42	-2.0	-86.04	377.99	1.94	-84.10
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C2)C1)C1=CC(=O)[N-]O1	REAL300030002586	1	42	-2.0	-86.04	377.99	1.94	-84.10
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1)C1=CC(=O)[N-]O1	REAL300030002611	0	43	-2.0	-89.93	369.08	-2.91	-92.84
CCN1[N-]C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030002675	0	46	-2.0	-92.98	392.85	1.16	-91.82
CN1[N-]C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030002697	0	43	-2.0	-93.63	370.73	0.10	-93.53
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002709	0	43	-2.0	-93.30	387.55	-1.68	-94.98
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030002857	1	43	-2.0	-99.07	370.75	-1.00	-100.07
O=C(NC1CCC2(CN(C(=O)C3=CC=C([O-])C(F)=C3)C2)C1)C1=CC(=O)[N-]O1	REAL300030002862	1	43	-2.0	-94.45	369.59	1.51	-92.94
O=C(NC1CCC2(CN(C(=O)C3=CC(F)=C([O-])C(F)=C3)C2)C1)C1=CC(=O)[N-]O1	REAL300030002916	0	43	-2.0	-95.25	375.34	1.60	-93.65
O=C(NC1CCC2(CN(C(=O)C3=CC=NC(Cl)=C3[O-])C2)C1)C1=CC(=O)[N-]O1	REAL300030002922	0	42	-2.0	-99.12	372.73	1.72	-97.40
CC1=C(CC(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C(=O)N(C)[N-]1	REAL300030002937	0	49	-2.0	-99.31	414.66	1.44	-97.87
CC1=CN=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300030002975	1	45	-2.0	-106.29	381.98	2.69	-103.60
O=C(NC1CCC2(CN(C(=O)C3=CC([O-])=CS3)C2)C1)C1=CC(=O)[N-]O1	REAL300030003000	0	40	-2.0	-98.92	355.63	0.53	-98.39
O=C(NC1CCC2(CN(C(=O)C3=CN([O-])C(=O)C=C3)C2)C1)C1=CC(=O)[N-]O1	REAL300030003016	0	43	-2.0	-107.12	368.53	2.00	-105.12
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CN([O-])C(=O)NC1=O	REAL300030003051	0	43	-2.0	-91.51	374.15	0.06	-91.45
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)C1=COC(=O)[N-]1	REAL300030004024	1	39	-2.0	-91.77	348.35	-3.34	-95.11
O=C(CC1=CC(=O)N[N-]1)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004113	1	43	-2.0	-102.39	373.71	-1.74	-104.13
CN1N=C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)[N-]C1=O	REAL300030004124	0	42	-2.0	-101.99	369.01	-2.30	-104.29
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)C1=C[N-]N=CC1=O	REAL300030004160	0	41	-2.0	-84.22	356.40	-0.39	-84.61
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)C1=CC(=O)N[N-]1	REAL300030004202	0	40	-2.0	-92.28	353.02	-2.37	-94.65
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1	REAL300030004206	0	45	-2.0	-93.64	391.67	-1.05	-94.69
CC1=CC(=O)C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)=N[N-]1	REAL300030004430	0	44	-2.0	-100.65	380.42	1.30	-99.35
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)C1=NC(=O)N[N-]1	REAL300030004436	0	39	-2.0	-93.95	348.01	-2.80	-96.75
CN1[N-]C(C(=O)N[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2N2C=CC=N2)=CC1=O	REAL300030004556	0	43	-2.0	-95.28	375.84	-0.66	-95.94
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)C(F)(F)C(F)F	REAL300030004592	0	38	-2.0	-89.58	347.99	-0.04	-89.62
O=C([N-][C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)C(F)(F)C(F)F	REAL300030004592	1	38	-2.0	-89.58	347.99	-0.04	-89.62
O=C(N[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@@H]1N1C=CC=N1)C1=CC(=O)[N-]O1	REAL300030004939	1	42	-2.0	-99.34	364.26	1.49	-97.85
O=C(N[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@@H]1N1C=CC=N1)C1=CC(=O)[N-]O1	REAL300030005638	1	39	-2.0	-94.16	347.90	-2.17	-96.33
CC1=CC=C([O-])C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)=N1	REAL300030005723	1	45	-2.0	-97.13	386.41	2.28	-94.85
O=C(N[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@@H]1N1C=CC=N1)C1=CC(=O)[N-]O1	REAL300030005730	0	41	-2.0	-89.18	366.80	-0.45	-89.63
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@@H]1N1C=CC=N1)C1=CC(=O)[N-]O1	REAL300030005827	0	40	-2.0	-92.69	351.41	-2.15	-94.84
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030005831	0	45	-2.0	-90.94	385.05	-1.12	-92.06
O=C(N[C@@H]1CN(C(=O)C2=NC(=O)N[N-]2)C[C@@H]1N1C=CC=N1)C1=CC(=O)[N-]O1	REAL300030005871	0	39	-2.0	-92.39	347.41	-3.05	-95.44
CC1=CC=NC(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)=C1[O-]	REAL300030005982	1	45	-2.0	-99.41	384.58	2.19	-97.22
O=C(N[C@@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@@H]1N1C=CC=N1)C1=CC(=O)[N-]O1	REAL300030006022	1	42	-2.0	-93.15	362.74	-1.03	-94.18
CC1=CC(=O)C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)=N[N-]1	REAL300030006141	0	44	-2.0	-92.58	381.59	1.78	-90.80
CN1N=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)[N-]C1=O	REAL300030006181	0	42	-2.0	-93.93	370.40	-1.84	-95.77
O=C(N[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1N1C=CC=N1)C1=CC(=O)[N-]O1	REAL300030006377	0	39	-2.0	-98.08	346.42	-2.02	-100.10
CN1[N-]C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)=CC1=O	REAL300030006492	0	43	-2.0	-94.98	374.22	-0.43	-95.41
O=C(CC1=CC(=O)NN1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006553	0	43	-2.0	-93.43	377.01	-0.72	-94.15
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H](NC(=O)C2=CC(=O)[N-]O2)[C@@H](N2C=CC=N2)C1	REAL300030006553	1	43	-2.0	-93.43	377.01	-0.72	-94.15
CC1=CN=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)C(O)=C1	REAL300030006596	0	45	-2.0	-100.75	385.71	2.12	-98.63
CC1=CN=C(C(=O)N2C[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H](N3C=CC=N3)C2)C([O-])=C1	REAL300030006596	1	45	-2.0	-100.75	385.71	2.12	-98.63
O=C(N[C@@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@@H]1N1C=CC=N1)C1=CC(=O)[N-]O1	REAL300030006606	0	40	-2.0	-96.80	360.35	-0.08	-96.88
CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007097	1	45	-2.0	-87.07	391.72	-2.78	-89.85
CC(NC(=O)CCCN1C(=O)[N-]NC1=O)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007651	0	46	-2.0	-91.30	403.77	-5.12	-96.42
CC(NC(=O)CCC1=NNC(=O)[N-]C1=O)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007833	0	44	-2.0	-91.69	390.86	-7.95	-99.64
CC(=O)[N-]C1=NC(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030007834	1	42	-2.0	-87.59	385.07	-4.43	-92.02
CC(NC(=O)CCN1C=C[N-]C(=O)C1=O)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030007969	1	45	-2.0	-95.27	397.21	-3.70	-98.97
COC1=C(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030008064	1	43	-2.0	-90.27	380.56	-6.68	-96.95
CC(NC(=O)C1=NNC(=O)[N-]C1=O)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008168	0	38	-2.0	-92.25	346.50	-8.08	-100.33
CC(NC(=O)CN1C(=O)[N-]NC1=O)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030008265	0	40	-2.0	-91.05	361.10	-6.30	-97.35
CC(NC(=O)C1=CN([O-])C(=O)C=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009003	0	40	-2.0	-103.84	357.61	-1.90	-105.74
CC(NC(=O)C1=CC(=O)NC([O-])=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009147	0	40	-2.0	-88.37	358.04	-6.83	-95.20
CC(NC(=O)C1=COC(=O)[N-]1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009159	1	36	-2.0	-86.50	330.10	-6.82	-93.32
CCN1[N-]C(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030009358	0	43	-2.0	-92.33	379.47	-3.36	-95.69
CC(NC(=O)CC1=CC(=O)N[N-]1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009365	1	40	-2.0	-95.44	355.64	-5.36	-100.80
CC(NC(=O)C1=CC=CC(=S)N1[O-])C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009385	0	40	-2.0	-117.76	366.66	0.21	-117.55
CC(NC(=O)CC1SC(=O)[N-]C1=O)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009398	0	40	-2.0	-86.52	368.72	-6.86	-93.38
CC(NC(=O)C1=NN(C)C(=O)[N-]1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009414	0	39	-2.0	-94.86	352.18	-5.80	-100.66
CC(NC(=O)C1=C[N-]N=CC1=O)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009523	0	38	-2.0	-83.68	338.57	-3.82	-87.50
CC(NC(=O)C1=CC=C2N=NN([O-])C2=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009560	0	42	-2.0	-99.70	373.54	-3.41	-103.11
CC(NC(=O)C1=CC(=O)N[N-]1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009643	0	37	-2.0	-85.56	335.57	-5.90	-91.46
CC(NC(=O)C(=O)[PH](C)(C)[O-])C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009647	0	42	-2.0	-88.93	369.00	-4.29	-93.22
CC(NC(=O)C1=CC=CN([O-])C1=O)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009689	0	40	-2.0	-104.98	355.10	-1.78	-106.76
CSC1=NC=C(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030009708	0	42	-2.0	-86.40	381.25	-3.79	-90.19
CSC1=NC=C(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030009708	1	42	-2.0	-86.40	381.25	-3.79	-90.19
CC(NC(=O)C1=NC(=O)C(C)S1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009728	0	39	-2.0	-98.42	361.48	-5.88	-104.30
CC1=C([O-])N=C(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030009728	1	39	-2.0	-98.42	361.48	-5.88	-104.30
CC(NC(=O)C1=CC(=O)C=C(Cl)N1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009745	0	39	-2.0	-85.80	365.09	-2.71	-88.51
CC(NC(=O)C1=CC(=O)C=C(Cl)[N-]1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009745	1	39	-2.0	-85.80	365.09	-2.71	-88.51
CC(NC(=O)C1=CC(=O)N([O-])C=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009760	0	40	-2.0	-102.29	358.58	-1.83	-104.12
CC(NC(=O)C1=CC=CC(=O)N1[O-])C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009812	0	40	-2.0	-114.45	355.54	-0.85	-115.30
CC(NC(=O)C[N-]C(=O)C(F)(F)F)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009956	0	39	-2.0	-84.90	365.69	-6.02	-90.92
CC(NC(=O)CC1=C([O-])N=C(N)S1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030009957	0	41	-2.0	-103.94	376.30	-6.95	-110.89
CC(NC(=O)CC1=NC([O-])=CS1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010011	0	39	-2.0	-104.44	361.49	-6.08	-110.52
CCC1=NC=C(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030010031	1	44	-2.0	-85.57	380.00	-3.30	-88.87
CC(NC(=O)CN1N=CC(=O)[N-]C1=O)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010043	0	41	-2.0	-98.53	370.35	-7.51	-106.04
CC(NC(=O)C1=C(Cl)C(=O)[N-]S1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010114	0	36	-2.0	-86.32	352.99	-4.61	-90.93
COCC1=NC=C(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030010202	0	45	-2.0	-86.42	392.93	-5.06	-91.48
COCC1=NC=C(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030010202	1	45	-2.0	-86.42	392.93	-5.06	-91.48
CC1=CC(=O)C(C(=O)NC(C)C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030010295	0	41	-2.0	-92.39	363.65	-2.22	-94.61
CC(NC(=O)C1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010311	0	36	-2.0	-92.18	329.42	-7.46	-99.64
CC(NC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010327	0	41	-2.0	-85.85	372.76	-2.87	-88.72
CC(NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010327	1	41	-2.0	-85.85	372.76	-2.87	-88.72
CC(NC(=O)C1=CN=C(C=N[O-])S1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010445	0	39	-2.0	-100.55	370.35	-4.40	-104.95
CC(NC(=O)C1=CC(=O)N(C)[N-]1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010659	0	40	-2.0	-91.58	357.74	-4.29	-95.87
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010670	0	40	-2.0	-90.21	372.55	-6.08	-96.29
CC(NC(=O)C1=NC(=O)[N-]C(=O)N1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010853	0	38	-2.0	-93.86	348.05	-9.05	-102.91
CC(NC(=O)C1=NC(=O)NC(=O)[N-]1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010853	1	38	-2.0	-86.88	348.72	-8.29	-95.17
CC(NC(=O)COC1=NC(=O)[N-]C(=O)N1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010913	0	42	-2.0	-91.91	382.46	-9.77	-101.68
CC(NC(=O)COC1=NC(=O)NC(=O)[N-]1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030010913	1	42	-2.0	-88.11	381.81	-9.78	-97.89
CC(NC(=O)CN1[N-]C(=O)C=CC1=O)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030011040	0	42	-2.0	-92.28	376.71	-5.25	-97.53
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300030011295	1	39	-2.0	-97.88	346.30	-2.26	-100.14
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1	REAL300030011418	1	45	-2.0	-97.42	398.63	-3.65	-101.07
CC(=O)[N-]C1=NC(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030011430	1	42	-2.0	-82.29	384.55	-3.97	-86.26
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300030011464	0	38	-2.0	-92.41	346.57	-7.80	-100.21
COC1=C(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030011519	1	43	-2.0	-94.76	378.60	-6.71	-101.47
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300030011696	0	40	-2.0	-95.26	363.26	-6.18	-101.44
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CCCN2C(=O)[N-]NC2=O)C1	REAL300030012723	0	46	-2.0	-94.55	405.79	-4.99	-99.54
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300030012941	1	45	-2.0	-95.02	399.09	-2.90	-97.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CCC2=NNC(=O)[N-]C2=O)C1	REAL300030013831	0	44	-2.0	-90.50	392.88	-7.80	-98.30
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1	REAL300030013841	0	42	-2.0	-92.18	375.71	-0.98	-93.16
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300030013855	1	40	-2.0	-94.72	366.63	-0.69	-95.41
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300030013887	1	41	-2.0	-83.54	370.57	-2.25	-85.79
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C1	REAL300030013914	0	42	-2.0	-98.97	378.45	-2.71	-101.68
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1	REAL300030013978	0	42	-2.0	-101.09	375.87	0.11	-100.98
CCC1=NC=C(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030014011	1	44	-2.0	-93.26	388.24	-3.56	-96.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300030014036	1	36	-2.0	-85.19	329.82	-6.23	-91.42
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1	REAL300030014118	0	42	-2.0	-100.92	378.99	-1.19	-102.11
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300030014136	0	39	-2.0	-86.79	367.72	-5.89	-92.68
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300030014137	0	41	-2.0	-107.85	378.92	-6.74	-114.59
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300030014148	0	40	-2.0	-84.85	370.84	-2.30	-87.15
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300030014171	1	40	-2.0	-90.10	356.60	-2.50	-92.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300030014180	0	39	-2.0	-85.95	354.65	-3.10	-89.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300030014191	1	41	-2.0	-93.64	369.89	-2.37	-96.01
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300030014195	0	39	-2.0	-91.68	359.74	-2.52	-94.20
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C(N)[N-]C(=O)C(C#N)=C2)C1	REAL300030014202	0	42	-2.0	-91.25	385.49	-5.42	-96.67
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300030014219	0	41	-2.0	-99.84	373.41	-7.29	-107.13
CC1=CC=C([O-])C(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030014309	1	42	-2.0	-102.05	368.57	-1.55	-103.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300030014312	1	42	-2.0	-100.27	372.92	-6.18	-106.45
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300030014335	0	38	-2.0	-89.11	337.99	-3.09	-92.20
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300030014349	0	40	-2.0	-101.32	356.08	-1.13	-102.45
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300030014476	1	40	-2.0	-99.79	356.38	-2.66	-102.45
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1	REAL300030014557	0	42	-2.0	-94.71	375.73	-1.01	-95.72
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300030014623	0	37	-2.0	-86.22	334.66	-5.66	-91.88
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300030014631	0	42	-2.0	-87.64	368.83	-4.27	-91.91
COCC1=NC=C(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030014699	0	45	-2.0	-93.68	401.17	-5.32	-99.00
COCC1=NC=C(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030014699	1	45	-2.0	-93.68	401.17	-5.32	-99.00
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300030014760	0	40	-2.0	-103.71	355.71	-2.25	-105.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=NNC(=O)[N-]2)C1	REAL300030014795	0	36	-2.0	-91.60	329.27	-7.31	-98.91
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C(O)C=CC=C2Cl)C1	REAL300030014800	0	40	-2.0	-93.63	373.20	-2.00	-95.63
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300030014800	1	40	-2.0	-93.63	373.20	-2.00	-95.63
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300030014808	0	40	-2.0	-108.74	363.48	-1.78	-110.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300030014846	0	40	-2.0	-93.50	369.90	-2.43	-95.93
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300030014846	1	40	-2.0	-93.50	369.90	-2.43	-95.93
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1	REAL300030014969	0	40	-2.0	-95.95	358.44	-6.11	-102.06
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300030015039	0	40	-2.0	-90.14	365.72	-2.24	-92.38
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300030015046	1	40	-2.0	-94.50	356.32	-1.12	-95.62
CC1=CC=NC(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300030015140	1	42	-2.0	-101.10	366.63	-1.38	-102.48
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1	REAL300030015199	0	40	-2.0	-97.46	372.29	-0.64	-98.10
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300030015320	1	39	-2.0	-92.49	344.20	-4.60	-97.09
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300030015333	0	40	-2.0	-116.25	364.03	-0.18	-116.43
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C1	REAL300030015494	1	42	-2.0	-98.19	379.05	-4.24	-102.43
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300030015499	0	39	-2.0	-82.49	365.27	-3.35	-85.84
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300030015564	1	40	-2.0	-88.46	365.93	-2.04	-90.50
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1	REAL300030015567	0	43	-2.0	-94.26	383.64	-2.92	-97.18
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300030015579	0	39	-2.0	-109.17	363.90	-5.82	-114.99
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300030015601	0	40	-2.0	-96.23	363.71	-2.38	-98.61
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300030015604	0	42	-2.0	-95.73	379.17	-5.19	-100.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300030015606	0	40	-2.0	-99.61	357.07	-1.07	-100.68
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030015654	0	43	-2.0	-101.62	382.98	-1.86	-103.48
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300030015744	0	40	-2.0	-86.16	371.04	-6.72	-92.88
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300030015777	0	40	-2.0	-92.69	362.66	-2.59	-95.28
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1	REAL300030015780	1	41	-2.0	-86.27	379.91	-3.97	-90.24
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300030015786	0	40	-2.0	-96.53	365.89	-0.65	-97.18
CC1=CC(=O)C(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030015822	0	41	-2.0	-91.50	363.05	-2.05	-93.55
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C1	REAL300030015828	0	45	-2.0	-105.34	395.20	-2.07	-107.41
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300030015860	0	40	-2.0	-114.24	352.92	-1.22	-115.46
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300030015906	0	40	-2.0	-91.59	373.32	-4.23	-95.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C1	REAL300030015907	0	42	-2.0	-92.50	383.98	-9.55	-102.05
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C1	REAL300030015907	1	42	-2.0	-87.45	384.43	-9.54	-96.99
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1	REAL300030015937	0	42	-2.0	-87.77	377.75	-1.12	-88.89
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300030015981	0	39	-2.0	-93.23	352.75	-5.53	-98.76
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C1	REAL300030016016	0	42	-2.0	-88.52	377.50	-4.95	-93.47
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300030016059	0	41	-2.0	-96.54	374.27	-4.33	-100.87
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300030016059	1	41	-2.0	-96.54	374.27	-4.33	-100.87
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300030016070	0	41	-2.0	-92.40	370.74	-0.78	-93.18
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300030016202	0	40	-2.0	-95.18	359.17	-3.51	-98.69
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C1	REAL300030016239	0	40	-2.0	-91.28	372.48	-0.64	-91.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300030016271	1	40	-2.0	-97.66	355.96	-2.75	-100.41
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1	REAL300030016280	1	45	-2.0	-106.88	391.53	-0.86	-107.74
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1	REAL300030016283	0	42	-2.0	-96.64	378.19	-0.43	-97.07
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1	REAL300030016286	0	42	-2.0	-89.26	378.07	-0.52	-89.78
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300030016299	1	40	-2.0	-99.58	367.38	-0.62	-100.20
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1	REAL300030016320	0	42	-2.0	-82.87	377.92	-1.97	-84.84
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300030016403	0	38	-2.0	-94.76	347.44	-8.62	-103.38
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300030016403	1	38	-2.0	-82.65	348.71	-7.69	-90.34
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1	REAL300030016437	0	42	-2.0	-90.05	371.92	-3.57	-93.62
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300030016480	1	45	-2.0	-106.34	392.18	0.19	-106.15
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1	REAL300030016481	0	36	-2.0	-90.14	350.49	-4.82	-94.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300030016505	1	40	-2.0	-93.81	361.61	-5.23	-99.04
CC1=C(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300030016537	0	43	-2.0	-82.05	384.78	-2.76	-84.81
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300030016559	0	40	-2.0	-99.56	362.63	-2.60	-102.16
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300030016618	0	40	-2.0	-87.31	372.54	-2.07	-89.38
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1	REAL300030016624	1	41	-2.0	-90.24	369.88	-3.30	-93.54
COC1=NC(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030016630	0	42	-2.0	-90.82	373.81	-7.60	-98.42
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1	REAL300030016633	0	42	-2.0	-93.87	378.28	-3.99	-97.86
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300030016646	0	39	-2.0	-97.47	363.17	-1.63	-99.10
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C1	REAL300030016652	1	43	-2.0	-100.19	395.25	-1.04	-101.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300030016693	0	40	-2.0	-93.85	365.76	-2.26	-96.11
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300030016704	0	39	-2.0	-96.40	342.88	-2.95	-99.35
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030016714	0	36	-2.0	-89.53	329.67	-5.34	-94.87
CC1=C([O-])N=C(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030016749	1	39	-2.0	-90.93	361.94	-5.33	-96.26
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1	REAL300030016800	1	46	-2.0	-100.89	402.47	-0.27	-101.16
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1	REAL300030016820	1	46	-2.0	-101.61	394.83	1.13	-100.48
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1	REAL300030016828	1	46	-2.0	-103.49	396.78	0.96	-102.53
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300030016880	1	42	-2.0	-88.82	372.82	-2.47	-91.29
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300030016917	0	39	-2.0	-100.94	368.13	-4.57	-105.51
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300030016952	1	39	-2.0	-84.82	364.31	-2.44	-87.26
CSC1=NC=C(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030016978	1	42	-2.0	-94.14	389.55	-4.07	-98.21
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300030016986	0	40	-2.0	-85.43	356.44	-7.06	-92.49
CCN1[N-]C(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030017067	0	43	-2.0	-89.87	379.84	-3.11	-92.98
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300030017089	0	40	-2.0	-88.96	357.47	-3.96	-92.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300030017106	0	40	-2.0	-91.66	373.97	-6.02	-97.68
CC1=C(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300030017108	1	42	-2.0	-99.39	387.99	-4.67	-104.06
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1	REAL300030017179	1	45	-2.0	-97.77	397.10	-2.16	-99.93
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300030017285	1	40	-2.0	-97.73	358.05	-5.11	-102.84
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300030017291	1	40	-2.0	-93.84	355.92	-2.71	-96.55
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300030017353	0	40	-2.0	-90.47	362.09	-2.45	-92.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300030017359	0	39	-2.0	-94.50	359.05	-2.50	-97.00
CC1=C(CC(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300030017380	0	46	-2.0	-98.15	401.13	-2.74	-100.89
CC1=CN=C(C(=O)N2CC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030017430	1	42	-2.0	-99.19	367.74	-1.64	-100.83
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1	REAL300030017445	0	41	-2.0	-94.92	383.99	-4.70	-99.62
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300030017466	0	37	-2.0	-96.91	341.95	-3.71	-100.62
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300030017488	0	40	-2.0	-103.53	354.97	-2.12	-105.65
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1	REAL300030017494	0	40	-2.0	-93.25	372.31	-0.42	-93.67
CC(NC(=O)C1=CN([O-])C(=O)NC1=O)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030017541	0	40	-2.0	-86.58	360.88	-4.21	-90.79
CC(NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C1(O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030017571	1	41	-2.0	-77.91	371.92	-3.57	-81.48
CN(CCCCN(C)C(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030018083	1	49	-2.0	-104.81	417.61	2.68	-102.13
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCCN1C(=O)[N-]NC1=O	REAL300030018749	0	50	-2.0	-92.77	423.38	0.83	-91.94
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300030018975	0	48	-2.0	-98.58	410.81	-1.92	-100.50
CC(=O)[N-]C1=NC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300030018976	1	46	-2.0	-88.42	402.18	2.18	-86.24
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300030019143	1	49	-2.0	-102.25	416.55	2.23	-100.02
COC1=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300030019257	1	47	-2.0	-90.37	406.78	-2.12	-92.49
CN(CCCCN(C)C(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030019378	0	42	-2.0	-101.66	363.62	-1.80	-103.46
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CN1C(=O)[N-]NC1=O	REAL300030019499	0	44	-2.0	-104.40	380.59	-0.42	-104.82
CN(CCCCN(C)C(=O)C1=CN([O-])C(=O)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030020388	0	44	-2.0	-105.22	382.72	3.93	-101.29
CN(CCCCN(C)C(=O)C1=CC(=O)NC([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030020557	0	44	-2.0	-91.92	382.52	-1.01	-92.93
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC(=O)[N-]1	REAL300030020570	1	40	-2.0	-90.53	347.15	0.37	-90.16
CCN1[N-]C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030020804	0	47	-2.0	-90.61	397.37	2.92	-87.69
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC(=O)N[N-]1	REAL300030020812	1	44	-2.0	-95.94	375.86	0.67	-95.27
CN(CCCCN(C)C(=O)C1=CC=CC(=S)N1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030020836	0	44	-2.0	-121.28	393.30	4.31	-116.97
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1SC(=O)[N-]C1=O	REAL300030020851	0	44	-2.0	-94.17	388.70	-0.83	-95.00
CN(CCCCN(C)C(=O)C1=NN(C)C(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030020870	0	43	-2.0	-93.80	370.35	0.44	-93.36
CN(CCCCN(C)C(=O)C1=C[N-]N=CC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030020992	0	42	-2.0	-94.15	365.98	1.79	-92.36
CN(CCCCN(C)C(=O)C1=CC=C2N=NN([O-])C2=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030021032	0	46	-2.0	-109.39	392.52	2.20	-107.19
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)N[N-]1	REAL300030021133	0	41	-2.0	-87.05	352.81	0.29	-86.76
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300030021138	0	46	-2.0	-93.92	387.27	1.46	-92.46
CN(CCCCN(C)C(=O)C1=CC=CN([O-])C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030021187	0	44	-2.0	-106.68	381.36	3.85	-102.83
CSC1=NC=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030021208	0	46	-2.0	-93.14	407.46	1.59	-91.55
CSC1=NC=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030021208	1	46	-2.0	-93.14	407.46	1.59	-91.55
CC1SC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030021233	0	43	-2.0	-92.60	379.31	1.01	-91.59
CC1=C([O-])N=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)S1	REAL300030021233	1	43	-2.0	-92.60	379.31	1.01	-91.59
CN(CCCCN(C)C(=O)C1=CC(=O)C=C(Cl)N1)C(=O)C1=CC(=O)[N-]O1	REAL300030021254	0	43	-2.0	-83.75	382.69	3.89	-79.86
CN(CCCCN(C)C(=O)C1=CC(=O)C=C(Cl)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030021254	1	43	-2.0	-83.75	382.69	3.89	-79.86
CN(CCCCN(C)C(=O)C1=CC(=O)N([O-])C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030021276	0	44	-2.0	-103.84	374.19	3.69	-100.15
CN(CCCCN(C)C(=O)C1=CC=CC(=O)N1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030021336	0	44	-2.0	-118.47	382.18	3.69	-114.78
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=C([O-])N=C(N)S1	REAL300030021509	0	45	-2.0	-115.02	396.26	-0.94	-115.96
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=NC([O-])=CS1	REAL300030021572	0	43	-2.0	-116.79	381.43	-0.06	-116.85
CCC1=NC=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030021598	0	48	-2.0	-92.27	406.15	2.06	-90.21
CCC1=NC=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030021598	1	48	-2.0	-92.27	406.15	2.06	-90.21
CN(CCCCN(C)C(=O)C1=C(Cl)C(=O)[N-]S1)C(=O)C1=CC(=O)[N-]O1	REAL300030021692	0	40	-2.0	-97.25	367.69	0.88	-96.37
COCC1=NC=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030021803	1	49	-2.0	-92.93	419.08	0.32	-92.61
CC1=CC(=O)C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030021908	0	45	-2.0	-100.21	380.79	4.06	-96.15
CN(CCCCN(C)C(=O)C1=NC(=O)N[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030021927	0	40	-2.0	-86.51	347.36	-0.47	-86.98
CN(CCCCN(C)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030021952	1	45	-2.0	-91.97	388.92	2.66	-89.31
CN(CCCCN(C)C(=O)C1=CN=C(C=N[O-])S1)C(=O)C1=CC(=O)[N-]O1	REAL300030022093	0	43	-2.0	-100.72	385.62	1.13	-99.59
COC1=NC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030022113	0	46	-2.0	-99.13	390.47	-1.03	-100.16
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300030022337	0	44	-2.0	-89.77	375.64	1.98	-87.79
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300030022349	0	44	-2.0	-97.94	391.90	-0.12	-98.06
CC1=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300030022350	1	46	-2.0	-100.54	405.90	1.30	-99.24
CN(CCCCN(C)C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL300030022569	0	42	-2.0	-92.53	364.90	-2.02	-94.55
CN(CCCCN(C)C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030022569	1	42	-2.0	-99.19	362.68	-0.80	-99.99
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300030022642	0	46	-2.0	-98.37	401.81	-3.81	-102.18
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300030022642	1	46	-2.0	-94.63	401.75	-3.76	-98.39
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300030022785	0	46	-2.0	-105.08	396.72	0.56	-104.52
CN(CCCCN(C)C(=O)C1=NC=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030023042	1	43	-2.0	-111.33	364.10	4.06	-107.27
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300030023165	1	49	-2.0	-102.25	416.55	2.23	-100.02
CC(=O)[N-]C1=NC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300030023177	1	46	-2.0	-88.42	402.18	2.18	-86.24
CN(CCCCN(C)C(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030023211	0	42	-2.0	-101.66	363.62	-1.80	-103.46
COC1=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300030023266	1	47	-2.0	-90.37	406.78	-2.12	-92.49
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CN1C(=O)[N-]NC1=O	REAL300030023443	0	44	-2.0	-104.40	380.59	-0.42	-104.82
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCCN1C(=O)[N-]NC1=O	REAL300030024470	0	50	-2.0	-92.77	423.38	0.83	-91.94
CN(CCCCN(C)C(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030024688	1	49	-2.0	-104.81	417.61	2.68	-102.13
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300030025578	0	48	-2.0	-98.58	410.81	-1.92	-100.50
CN(CCCCN(C)C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030025588	0	46	-2.0	-92.28	394.23	4.97	-87.31
CN(CCCCN(C)C(=O)C1=CC(Cl)=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030025602	1	44	-2.0	-106.52	387.51	4.31	-102.21
CN(CCCCN(C)C(=O)C1=CC([O-])=CC(C#N)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030025634	1	45	-2.0	-84.53	389.11	3.51	-81.02
CN(CCCCN(C)C(=O)C1=CC=C(N)C(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030025661	0	46	-2.0	-112.25	399.31	2.36	-109.89
CN(CCCCN(C)C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030025725	0	46	-2.0	-117.50	396.30	5.55	-111.95
CCC1=NC=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030025758	1	48	-2.0	-92.27	406.15	2.06	-90.21
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC(=O)[N-]1	REAL300030025783	1	40	-2.0	-90.53	347.15	0.37	-90.16
CN(CCCCN(C)C(=O)C1=CC=CC([O-])=C1[N+](=O)[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030025865	0	46	-2.0	-114.60	399.82	4.15	-110.45
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C[N-]C(=O)C(F)(F)F	REAL300030025883	0	43	-2.0	-86.59	385.31	-0.12	-86.71
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=C([O-])N=C(N)S1	REAL300030025884	0	45	-2.0	-115.02	396.26	-0.94	-115.96
CN(CCCCN(C)C(=O)C1=C(F)C=C([O-])C=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300030025895	0	44	-2.0	-85.58	388.67	3.48	-82.10
CN(CCCCN(C)C(=O)C1=CC=C([O-])C=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300030025918	1	44	-2.0	-91.21	373.24	3.22	-87.99
CN(CCCCN(C)C(=O)C1=CC([O-])=CC(=O)O1)C(=O)C1=CC(=O)[N-]O1	REAL300030025927	0	43	-2.0	-87.48	373.07	2.67	-84.81
CN(CCCCN(C)C(=O)C1=CC=C(C#N)C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030025938	1	45	-2.0	-87.00	388.47	3.56	-83.44
CN(CCCCN(C)C(=O)C1=CC(Cl)=NC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030025942	0	43	-2.0	-103.17	382.06	2.52	-100.65
CN(CCCCN(C)C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030025949	0	46	-2.0	-87.25	404.36	0.47	-86.78
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300030025966	0	45	-2.0	-97.34	391.20	-1.53	-98.87
CC1=CC=C([O-])C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)=N1	REAL300030026056	1	46	-2.0	-112.22	385.70	4.65	-107.57
CN(CCCCN(C)C(=O)C1=C[N-]N=CC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030026082	0	42	-2.0	-94.15	365.98	1.79	-92.36
CN(CCCCN(C)C(=O)C1=CC=CC(F)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030026096	0	44	-2.0	-115.54	377.01	3.88	-111.66
CN(CCCCN(C)C(=O)C1=CC=CC([O-])=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300030026223	1	44	-2.0	-110.48	377.28	3.28	-107.20
CN(CCCCN(C)C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030026304	0	46	-2.0	-93.01	396.15	4.97	-88.04
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)N[N-]1	REAL300030026370	0	41	-2.0	-87.05	352.81	0.29	-86.76
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300030026378	0	46	-2.0	-93.92	387.27	1.46	-92.46
COCC1=NC=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030026446	0	49	-2.0	-92.93	419.08	0.32	-92.61
COCC1=NC=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030026446	1	49	-2.0	-92.93	419.08	0.32	-92.61
CN(CCCCN(C)C(=O)C1=CC(=O)N([O-])C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030026507	0	44	-2.0	-103.84	374.19	3.69	-100.15
CN(CCCCN(C)C(=O)C1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030026542	0	40	-2.0	-90.72	347.27	-1.27	-91.99
CN(CCCCN(C)C(=O)C1=C(O)C=CC=C1Cl)C(=O)C1=CC(=O)[N-]O1	REAL300030026547	0	44	-2.0	-95.45	391.63	3.85	-91.60
CN(CCCCN(C)C(=O)C1=C([O-])C=CC=C1Cl)C(=O)C1=CC(=O)[N-]O1	REAL300030026547	1	44	-2.0	-95.45	391.63	3.85	-91.60
CN(CCCCN(C)C(=O)C1=CC=CN([O-])C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030026555	0	44	-2.0	-106.68	381.36	3.85	-102.83
CN(CCCCN(C)C(=O)C1=C(F)C=CC(O)=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300030026593	0	44	-2.0	-92.29	388.51	3.45	-88.84
CN(CCCCN(C)C(=O)C1=C(F)C=CC([O-])=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300030026593	1	44	-2.0	-92.29	388.51	3.45	-88.84
CN(CCCCN(C)C(=O)C1=CC(F)=CC=C1O)C(=O)C1=CC(=O)[N-]O1	REAL300030026793	0	44	-2.0	-105.76	377.20	3.88	-101.88
CN(CCCCN(C)C(=O)C1=CC(F)=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030026793	1	44	-2.0	-105.76	377.20	3.88	-101.88
CC1=CC=NC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300030026887	1	46	-2.0	-110.86	384.38	4.75	-106.11
CN(CCCCN(C)C(=O)C1=CC=C(Cl)C(F)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030026946	0	44	-2.0	-110.93	393.13	4.42	-106.51
CN(CCCCN(C)C(=O)C1=CN=CC([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030027067	1	43	-2.0	-93.47	363.28	1.25	-92.22
CN(CCCCN(C)C(=O)C1=CC=CC(=S)N1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030027080	0	44	-2.0	-121.28	393.30	4.31	-116.97
CN(CCCCN(C)C(=O)C1=CC(N)=C(Cl)C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030027241	1	46	-2.0	-88.93	397.00	1.62	-87.31
CN(CCCCN(C)C(=O)C1=CC=C([O-])C(Cl)=N1)C(=O)C1=CC(=O)[N-]O1	REAL300030027246	0	43	-2.0	-83.71	383.03	2.86	-80.85
CN(CCCCN(C)C(=O)C1=CC=C([O-])C=C1Cl)C(=O)C1=CC(=O)[N-]O1	REAL300030027311	1	44	-2.0	-89.69	381.40	3.68	-86.01
CN(CCCCN(C)C(=O)C1=CC(C#N)=C(N)C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030027314	0	47	-2.0	-105.39	404.12	2.27	-103.12
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=NC([O-])=CS1	REAL300030027326	0	43	-2.0	-116.79	381.43	-0.06	-116.85
CN(CCCCN(C)C(=O)C1=C([O-])C=CC=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300030027348	1	44	-2.0	-95.79	382.14	3.48	-92.31
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300030027351	0	46	-2.0	-105.08	396.72	0.56	-104.52
CN(CCCCN(C)C(=O)C1=CC=C(F)C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030027353	0	44	-2.0	-100.15	372.96	4.69	-95.46
CC1=CC=C(F)C([O-])=C1C(=O)N(C)CCCCN(C)C(=O)C1=CC(=O)[N-]O1	REAL300030027401	0	47	-2.0	-108.86	401.33	4.01	-104.85
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1SC(=O)[N-]C1=O	REAL300030027491	0	44	-2.0	-94.17	388.70	-0.83	-95.00
CN(CCCCN(C)C(=O)C1=CC=C([O-])C(F)=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300030027524	0	44	-2.0	-99.82	383.49	3.34	-96.48
CN(CCCCN(C)C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030027527	1	45	-2.0	-81.49	394.34	1.81	-79.68
CN(CCCCN(C)C(=O)C1=CC=CC(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030027533	0	44	-2.0	-109.83	386.81	4.35	-105.48
CC1=CC(=O)C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030027569	0	45	-2.0	-100.21	380.79	4.06	-96.15
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300030027575	0	49	-2.0	-103.97	412.82	3.66	-100.31
CN(CCCCN(C)C(=O)C1=CC=CC(=O)N1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030027607	0	44	-2.0	-118.47	382.18	3.69	-114.78
CN(CCCCN(C)C(=O)C1=CC=C(C#N)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030027653	0	44	-2.0	-99.13	391.44	1.59	-97.54
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300030027654	0	46	-2.0	-98.37	401.81	-3.81	-102.18
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300030027654	1	46	-2.0	-94.63	401.75	-3.76	-98.39
CN(CCCCN(C)C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030027684	0	46	-2.0	-92.24	395.70	4.68	-87.56
CN(CCCCN(C)C(=O)C1=NN(C)C(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030027728	0	43	-2.0	-93.80	370.35	0.44	-93.36
CN(CCCCN(C)C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030027763	0	46	-2.0	-88.32	396.04	0.99	-87.33
CN(CCCCN(C)C(=O)C1=C(F)C=CC(O)=C1O)C(=O)C1=CC(=O)[N-]O1	REAL300030027806	0	45	-2.0	-105.56	392.59	1.50	-104.06
CN(CCCCN(C)C(=O)C1=C(F)C=CC(O)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030027806	1	45	-2.0	-105.56	392.59	1.50	-104.06
CN(CCCCN(C)C(=O)C1=CC(C#N)=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030027817	0	45	-2.0	-102.61	391.64	4.23	-98.38
CN(CCCCN(C)C(=O)C1=CN([O-])C(=O)NC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030027949	0	44	-2.0	-89.63	383.74	1.22	-88.41
CN(CCCCN(C)C(=O)C1=CC(Cl)=C(F)C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030027986	0	44	-2.0	-102.55	393.32	4.42	-98.13
CN(CCCCN(C)C(=O)C1=CC=C(F)C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030028018	1	44	-2.0	-90.65	374.49	3.20	-87.45
CN(CCCCN(C)C(=O)C1=C([O-])C2=NC=CC=C2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030028027	1	49	-2.0	-121.68	411.64	4.35	-117.33
CN(CCCCN(C)C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030028030	0	46	-2.0	-96.93	394.71	5.29	-91.64
CN(CCCCN(C)C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030028033	0	46	-2.0	-98.00	398.96	4.47	-93.53
CN(CCCCN(C)C(=O)C1=CC=C(Cl)C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030028046	1	44	-2.0	-99.95	383.27	5.14	-94.81
CN(CCCCN(C)C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030028067	0	46	-2.0	-84.07	396.47	3.79	-80.28
CN(CCCCN(C)C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL300030028150	0	42	-2.0	-99.19	362.68	-0.80	-99.99
CN(CCCCN(C)C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030028150	1	42	-2.0	-99.19	362.68	-0.80	-99.99
CN(CCCCN(C)C(=O)C1=CC=C2N=NN([O-])C2=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030028184	0	46	-2.0	-109.39	392.52	2.20	-107.19
CN(CCCCN(C)C(=O)C1=C(O)C2=CC=CC=C2C=N1)C(=O)C1=CC(=O)[N-]O1	REAL300030028227	0	49	-2.0	-116.52	409.28	6.40	-110.12
CN(CCCCN(C)C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)C1=CC(=O)[N-]O1	REAL300030028227	1	49	-2.0	-116.52	409.28	6.40	-110.12
CN(CCCCN(C)C(=O)C1=C(Cl)C(=O)[N-]S1)C(=O)C1=CC(=O)[N-]O1	REAL300030028228	0	40	-2.0	-97.25	367.69	0.88	-96.37
CN(CCCCN(C)C(=O)C1=CN=C(N)NC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030028252	0	44	-2.0	-103.83	379.88	0.44	-103.39
CN(CCCCN(C)C(=O)C1=CN=C(N)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030028252	1	44	-2.0	-103.83	379.88	0.44	-103.39
CC1=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300030028284	0	47	-2.0	-86.01	401.82	3.72	-82.29
CN(CCCCN(C)C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030028365	0	44	-2.0	-88.25	390.48	3.79	-84.46
CN(CCCCN(C)C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030028371	0	45	-2.0	-91.97	388.92	2.66	-89.31
CN(CCCCN(C)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030028371	1	45	-2.0	-91.97	388.92	2.66	-89.31
CN(CCCCN(C)C(=O)C1=CC=C2N[N-]N=C2C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030028380	0	46	-2.0	-90.26	396.02	1.84	-88.42
CN(CCCCN(C)C(=O)C1=NC=CC(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030028393	0	43	-2.0	-107.08	380.25	4.58	-102.50
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC=C(O)C(Cl)=C1	REAL300030028399	0	47	-2.0	-98.10	412.85	4.79	-93.31
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300030028399	1	47	-2.0	-98.10	412.85	4.79	-93.31
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)[N-]O1	REAL300030028461	0	40	-2.0	-97.51	346.97	0.39	-97.12
CC1SC(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030028496	0	43	-2.0	-92.60	379.31	1.01	-91.59
CC1=C([O-])N=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)S1	REAL300030028496	1	43	-2.0	-92.60	379.31	1.01	-91.59
CN(CCCCN(C)C(=O)C1=C(O)C=CC2=CC=CC=C21)C(=O)C1=CC(=O)[N-]O1	REAL300030028547	0	50	-2.0	-110.60	420.83	5.60	-105.00
CN(CCCCN(C)C(=O)C1=C([O-])C=CC2=CC=CC=C21)C(=O)C1=CC(=O)[N-]O1	REAL300030028547	1	50	-2.0	-110.60	420.83	5.60	-105.00
CN(CCCCN(C)C(=O)C1=C(O)C2=CC=CC=C2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030028567	0	50	-2.0	-105.67	411.54	6.95	-98.72
CN(CCCCN(C)C(=O)C1=C([O-])C2=CC=CC=C2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030028567	1	50	-2.0	-105.67	411.54	6.95	-98.72
CN(CCCCN(C)C(=O)C1=CC2=CC=CC=C2C=C1O)C(=O)C1=CC(=O)[N-]O1	REAL300030028575	0	50	-2.0	-121.88	413.23	6.76	-115.12
CN(CCCCN(C)C(=O)C1=CC2=CC=CC=C2C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030028575	1	50	-2.0	-121.88	413.23	6.76	-115.12
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C(=O)C1=CC=C(O)C=C1	REAL300030028627	0	46	-2.0	-95.24	398.51	3.23	-92.01
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300030028627	1	46	-2.0	-95.24	398.51	3.23	-92.01
CN(CCCCN(C)C(=O)C1=CN=C(C=N[O-])S1)C(=O)C1=CC(=O)[N-]O1	REAL300030028664	0	43	-2.0	-100.72	385.62	1.13	-99.59
CN(CCCCN(C)C(=O)C1=CC(=O)C=C(Cl)N1)C(=O)C1=CC(=O)[N-]O1	REAL300030028699	0	43	-2.0	-83.75	382.69	3.89	-79.86
CN(CCCCN(C)C(=O)C1=CC(=O)C=C(Cl)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030028699	1	43	-2.0	-83.75	382.69	3.89	-79.86
CSC1=NC=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030028725	0	46	-2.0	-93.14	407.46	1.59	-91.55
CSC1=NC=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030028725	1	46	-2.0	-93.14	407.46	1.59	-91.55
CCN1[N-]C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030028814	0	47	-2.0	-90.61	397.37	2.92	-87.69
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300030028836	0	44	-2.0	-89.77	375.64	1.98	-87.79
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300030028853	0	44	-2.0	-97.94	391.90	-0.12	-98.06
CC1=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300030028855	1	46	-2.0	-100.54	405.90	1.30	-99.24
CN(CCCCN(C)C(=O)C1=C([O-])C=NC2=CC=CC=C21)C(=O)C1=CC(=O)[N-]O1	REAL300030028926	1	49	-2.0	-104.34	415.46	3.73	-100.61
CN(CCCCN(C)C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC(=O)N[N-]1	REAL300030029032	1	44	-2.0	-95.94	375.86	0.67	-95.27
CN(CCCCN(C)C(=O)C1=CC=C([O-])C(F)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030029038	1	44	-2.0	-91.09	374.47	3.24	-87.85
CN(CCCCN(C)C(=O)C1=CC(F)=C([O-])C(F)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030029100	0	44	-2.0	-91.67	380.69	3.32	-88.35
CN(CCCCN(C)C(=O)C1=CC=NC(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030029106	0	43	-2.0	-107.00	382.05	2.30	-104.70
CC1=C(CC(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300030029127	0	50	-2.0	-108.57	418.40	3.06	-105.51
CC1=CN=C(C(=O)N(C)CCCCN(C)C(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030029177	1	46	-2.0	-101.82	386.19	4.68	-97.14
CN(CCCCN(C)C(=O)C1=C(O)C=CC(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030029192	0	45	-2.0	-96.62	402.60	1.18	-95.44
CN(CCCCN(C)C(=O)C1=CC([O-])=CS1)C(=O)C1=CC(=O)[N-]O1	REAL300030029213	0	41	-2.0	-98.78	359.71	2.00	-96.78
CN(CCCCN(C)C(=O)C1=CN([O-])C(=O)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030029235	0	44	-2.0	-105.22	382.72	3.93	-101.29
CN(CCCCN(C)C(=O)C1=CC(F)=CC(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030029241	0	44	-2.0	-93.45	388.98	5.22	-88.23
CN(CCCCN(C)C(=O)C1=CN([O-])C(=O)NC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030029293	0	44	-2.0	-89.63	383.74	1.22	-88.41
CN(CCCCN(C)C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030029328	1	45	-2.0	-81.49	394.34	1.81	-79.68
O=C(CCCN1C(=O)[N-]NC1=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030518	0	43	-2.0	-94.90	393.35	-1.95	-96.85
O=C(CCC1=NNC(=O)[N-]C1=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030744	0	41	-2.0	-93.70	381.05	-4.66	-98.36
CC(=O)[N-]C1=NC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030030745	1	39	-2.0	-88.98	375.30	-1.19	-90.17
O=C(CCN1C=C[N-]C(=O)C1=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030030912	1	42	-2.0	-103.89	386.79	-0.53	-104.42
COC1=C(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030031026	1	40	-2.0	-94.97	370.48	-3.48	-98.45
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]C1=O	REAL300030031147	0	35	-2.0	-94.80	336.71	-4.79	-99.59
O=C(CN1C(=O)[N-]NC1=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030031268	0	37	-2.0	-96.01	350.83	-3.14	-99.15
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)C=C1	REAL300030032157	0	37	-2.0	-105.96	347.79	1.32	-104.64
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)NC([O-])=C1	REAL300030032326	0	37	-2.0	-89.99	348.26	-3.57	-93.56
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300030032339	1	33	-2.0	-92.31	320.33	-3.74	-96.05
O=C([N-]CC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)(F)F	REAL300030032463	0	32	-2.0	-85.30	326.44	-0.40	-85.70
CCN1[N-]C(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030032573	0	40	-2.0	-94.42	369.70	-0.11	-94.53
O=C(CC1=CC(=O)N[N-]1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032581	1	37	-2.0	-99.20	345.82	-2.10	-101.30
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=S)N1[O-]	REAL300030032605	0	37	-2.0	-122.46	356.34	3.37	-119.09
O=C(CC1SC(=O)[N-]C1=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032620	0	37	-2.0	-88.54	358.93	-3.59	-92.13
CN1N=C(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030032639	0	36	-2.0	-97.19	342.48	-2.53	-99.72
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300030032761	0	35	-2.0	-84.92	329.38	-0.58	-85.50
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C2N=NN([O-])C2=C1	REAL300030032801	0	39	-2.0	-102.67	364.35	-0.15	-102.82
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300030032902	0	34	-2.0	-90.98	325.16	-2.74	-93.72
C[PH](C)([O-])C(=O)C(=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032907	0	39	-2.0	-87.38	358.17	-1.44	-88.82
CN1[N-]C(CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030032910	0	40	-2.0	-101.82	368.65	-0.38	-102.20
O=C(CCC1=NC(=O)[N-]N1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030032948	1	39	-2.0	-101.25	361.08	-3.06	-104.31
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300030032956	0	37	-2.0	-105.12	345.39	1.49	-103.63
CSC1=NC=C(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030032977	1	39	-2.0	-92.66	371.54	-0.68	-93.34
CC1=C([O-])N=C(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030033002	1	36	-2.0	-99.05	351.70	-2.62	-101.67
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300030033023	1	36	-2.0	-87.65	355.31	0.56	-87.09
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300030033045	0	37	-2.0	-106.68	348.16	1.33	-105.35
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300030033105	0	37	-2.0	-119.63	345.23	2.34	-117.29
O=C(C[N-]C(=O)C(F)(F)F)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033277	0	36	-2.0	-87.15	355.35	-2.94	-90.09
NC1=NC([O-])=C(CC(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030033278	0	38	-2.0	-113.62	366.48	-3.67	-117.29
O=C(CC1=NC([O-])=CS1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033341	0	36	-2.0	-111.77	351.67	-2.81	-114.58
O=C(CN1N=CC(=O)[N-]C1=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030033379	0	38	-2.0	-103.29	361.17	-4.25	-107.54
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C(Cl)C(=O)[N-]S1	REAL300030033461	0	33	-2.0	-91.57	342.72	-1.43	-93.00
COCC1=NC=C(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030033572	0	42	-2.0	-92.69	383.22	-1.97	-94.66
COCC1=NC=C(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030033572	1	42	-2.0	-92.69	383.22	-1.97	-94.66
CC1=CC(=O)C(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030033677	0	38	-2.0	-94.82	353.87	1.06	-93.76
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)N[N-]1	REAL300030033696	0	33	-2.0	-91.90	319.75	-4.03	-95.93
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300030033721	0	38	-2.0	-90.47	362.34	0.28	-90.19
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030033721	1	38	-2.0	-90.47	362.34	0.28	-90.19
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C=N[O-])S1	REAL300030033862	0	36	-2.0	-101.70	360.53	-1.15	-102.85
COC1=NC(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030033882	0	39	-2.0	-94.85	365.87	-4.73	-99.58
CN1[N-]C(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030034106	0	37	-2.0	-93.53	347.97	-1.03	-94.56
O=C(CSC1=NNC(=O)[N-]1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030034118	0	37	-2.0	-94.41	362.13	-2.90	-97.31
CC1=C(C(=O)NCC(F)=C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300030034119	1	39	-2.0	-113.07	376.48	-1.54	-114.61
O=C([N-]CC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)F	REAL300030034256	0	32	-2.0	-86.15	320.35	-0.53	-86.68
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300030034338	0	35	-2.0	-94.84	338.28	-5.80	-100.64
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300030034338	1	35	-2.0	-88.43	338.93	-5.02	-93.45
O=C(COC1=NC(=O)[N-]C(=O)N1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030034411	0	39	-2.0	-95.91	372.05	-6.58	-102.49
O=C(COC1=NC(=O)NC(=O)[N-]1)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030034411	1	39	-2.0	-90.16	371.99	-6.52	-96.68
O=C(CN1[N-]C(=O)C=CC1=O)NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030034554	0	39	-2.0	-96.71	366.94	-2.15	-98.86
O=C(NCC(F)=C1CN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030034811	1	36	-2.0	-101.72	336.54	1.02	-100.70
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030034934	1	42	-2.0	-96.38	388.73	-0.41	-96.79
CC(=O)[N-]C1=NC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030034946	1	39	-2.0	-84.00	374.86	-1.00	-85.00
O=C(NCC(F)=C1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300030034980	0	35	-2.0	-95.10	336.14	-4.63	-99.73
COC1=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030035035	1	40	-2.0	-96.84	368.21	-3.43	-100.27
O=C(CN1C(=O)[N-]NC1=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030035212	0	37	-2.0	-97.84	352.76	-3.02	-100.86
O=C(CCCN1C(=O)[N-]NC1=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030036239	0	43	-2.0	-95.08	395.28	-1.82	-96.90
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037347	0	41	-2.0	-93.80	382.98	-4.54	-98.34
O=C(NCC(F)=C1CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030037357	0	39	-2.0	-96.48	365.41	2.28	-94.20
O=C(NCC(F)=C1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030037371	1	37	-2.0	-100.95	357.67	2.44	-98.51
N#CC1=CC([O-])=CC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030037403	1	38	-2.0	-89.42	360.31	0.82	-88.60
NC1=CC=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1Cl	REAL300030037430	0	39	-2.0	-106.73	369.47	0.43	-106.30
O=C(NCC(F)=C1CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030037494	0	39	-2.0	-110.90	366.94	3.29	-107.61
O=C(NCC(F)=C1CN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030037552	1	33	-2.0	-91.34	320.04	-3.15	-94.49
O=C(NCC(F)=C1CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300030037634	0	39	-2.0	-110.29	370.17	1.95	-108.34
O=C(C[N-]C(=O)C(F)(F)F)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037652	0	36	-2.0	-90.04	357.21	-2.73	-92.77
NC1=NC([O-])=C(CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030037653	0	38	-2.0	-112.89	368.42	-3.56	-116.45
O=C(NCC(F)=C1CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300030037664	0	37	-2.0	-89.73	360.33	0.86	-88.87
O=C(NCC(F)=C1CN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300030037687	1	37	-2.0	-95.99	347.55	0.59	-95.40
O=C(NCC(F)=C1CN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300030037696	0	36	-2.0	-91.69	344.88	-0.02	-91.71
N#CC1=CC=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300030037707	1	38	-2.0	-99.12	359.61	0.88	-98.24
O=C(NCC(F)=C1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030037711	0	36	-2.0	-96.56	349.43	0.72	-95.84
N#CC1=CC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=C(N)[N-]C1=O	REAL300030037718	0	39	-2.0	-94.31	375.58	-2.17	-96.48
O=C(CN1N=CC(=O)[N-]C1=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037735	0	38	-2.0	-103.12	363.10	-4.13	-107.25
CC1=CC=C([O-])C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030037825	1	39	-2.0	-102.43	358.15	1.61	-100.82
O=C(CCC1=NC(=O)[N-]N1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030037828	1	39	-2.0	-101.54	363.01	-2.93	-104.47
O=C(NCC(F)=C1CN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300030037851	0	35	-2.0	-93.24	327.68	0.15	-93.09
O=C(NCC(F)=C1CN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030037865	0	37	-2.0	-109.89	347.14	2.01	-107.88
O=C(NCC(F)=C1CN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300030037992	1	37	-2.0	-107.78	347.37	0.58	-107.20
O=C(NCC(F)=C1CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030038073	0	39	-2.0	-94.46	365.43	2.25	-92.21
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030038139	0	34	-2.0	-90.31	324.88	-2.59	-92.90
C[PH](C)([O-])C(=O)C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030038147	0	39	-2.0	-90.71	358.11	-1.47	-92.18
COCC1=NC=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030038215	0	42	-2.0	-102.23	381.39	-1.17	-103.40
COCC1=NC=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030038215	1	42	-2.0	-102.23	381.39	-1.17	-103.40
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300030038276	0	37	-2.0	-108.48	345.43	1.01	-107.47
O=C(NCC(F)=C1CN(C(=O)C2=NC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030038311	0	33	-2.0	-91.23	319.62	-3.59	-94.82
O=C(NCC(F)=C1CN(C(=O)C2=C(O)C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030038316	0	37	-2.0	-102.01	363.29	1.24	-100.77
O=C(NCC(F)=C1CN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030038316	1	37	-2.0	-102.01	363.29	1.24	-100.77
O=C(NCC(F)=C1CN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300030038324	0	37	-2.0	-119.05	343.54	2.06	-116.99
O=C(NCC(F)=C1CN(C(=O)C2=C(F)C=CC(O)=C2F)C1)C1=CC(=O)[N-]O1	REAL300030038362	0	37	-2.0	-100.64	360.17	0.84	-99.80
O=C(NCC(F)=C1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300030038362	1	37	-2.0	-100.64	360.17	0.84	-99.80
O=C(NCC(F)=C1CN(C(=O)C2=CC(F)=CC=C2O)C1)C1=CC(=O)[N-]O1	REAL300030038562	0	37	-2.0	-100.37	347.35	2.00	-98.37
O=C(NCC(F)=C1CN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030038562	1	37	-2.0	-100.37	347.35	2.00	-98.37
CC1=CC=NC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=C1O	REAL300030038656	0	39	-2.0	-101.66	356.86	1.71	-99.95
CC1=CC=NC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300030038656	1	39	-2.0	-101.66	356.86	1.71	-99.95
O=C(NCC(F)=C1CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030038715	0	37	-2.0	-105.91	363.28	2.51	-103.40
O=C(NCC(F)=C1CN(C(=O)C2=CN=CC(O)=C2)C1)C1=CC(=O)[N-]O1	REAL300030038836	0	36	-2.0	-92.36	334.44	-1.35	-93.71
O=C(NCC(F)=C1CN(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030038836	1	36	-2.0	-92.36	334.44	-1.35	-93.71
O=C(NCC(F)=C1CN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300030038849	0	37	-2.0	-125.18	353.76	3.06	-122.12
NC1=CC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=CC([O-])=C1Cl	REAL300030039010	1	39	-2.0	-95.97	368.70	-1.17	-97.14
O=C(NCC(F)=C1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=CC(=O)[N-]O1	REAL300030039015	0	36	-2.0	-87.98	354.85	-0.19	-88.17
O=C(NCC(F)=C1CN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030039080	1	37	-2.0	-94.54	356.17	1.04	-93.50
N#CC1=CC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=C([O-])C=C1N	REAL300030039083	0	40	-2.0	-99.41	374.68	0.23	-99.18
O=C(CC1=NC([O-])=CS1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039095	0	36	-2.0	-111.56	353.60	-2.68	-114.24
O=C(NCC(F)=C1CN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=CC(=O)[N-]O1	REAL300030039117	0	37	-2.0	-95.33	353.80	0.86	-94.47
O=C(CN1[N-]C(=O)C=CC1=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039120	0	39	-2.0	-96.92	368.86	-2.03	-98.95
O=C(NCC(F)=C1CN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030039122	0	37	-2.0	-104.14	347.35	2.00	-102.14
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039170	0	40	-2.0	-97.27	373.24	1.42	-95.85
O=C(CC1SC(=O)[N-]C1=O)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039260	0	37	-2.0	-88.34	361.13	-3.46	-91.80
O=C(NCC(F)=C1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=CC(=O)[N-]O1	REAL300030039293	0	37	-2.0	-98.21	353.61	0.67	-97.54
O=C(NCC(F)=C1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300030039296	1	38	-2.0	-91.01	359.85	0.41	-90.60
O=C(NCC(F)=C1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030039302	0	37	-2.0	-104.33	356.94	2.47	-101.86
CC1=CC(=O)C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030039338	0	38	-2.0	-93.75	353.30	1.22	-92.53
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039344	0	42	-2.0	-104.87	385.22	1.04	-103.83
O=C(NCC(F)=C1CN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300030039376	0	37	-2.0	-122.40	342.65	2.02	-120.38
N#CC1=CC=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030039422	0	37	-2.0	-98.25	353.34	0.09	-98.16
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039423	0	39	-2.0	-96.51	373.98	-6.43	-102.94
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030039423	1	39	-2.0	-90.44	373.92	-6.38	-96.82
O=C(NCC(F)=C1CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300030039453	0	39	-2.0	-88.52	369.83	2.21	-86.31
CN1N=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030039497	0	36	-2.0	-96.78	342.26	-2.38	-99.16
[N-]=[N+]=NC1=CC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=CC=C1[O-]	REAL300030039532	0	39	-2.0	-92.68	367.19	-1.71	-94.39
O=C(NCC(F)=C1CN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C1=CC(=O)[N-]O1	REAL300030039575	0	38	-2.0	-103.47	364.54	-1.06	-104.53
O=C(NCC(F)=C1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030039575	1	38	-2.0	-103.47	364.54	-1.06	-104.53
N#CC1=CC=C([O-])C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030039586	0	38	-2.0	-97.45	361.79	2.34	-95.11
O=C(NCC(F)=C1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=CC(=O)[N-]O1	REAL300030039718	0	37	-2.0	-96.41	348.88	-0.27	-96.68
O=C(NCC(F)=C1CN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030039755	0	37	-2.0	-97.70	363.48	2.51	-95.19
O=C(NCC(F)=C1CN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030039787	1	37	-2.0	-103.34	345.68	0.50	-102.84
O=C(NCC(F)=C1CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030039796	1	42	-2.0	-115.40	381.79	2.41	-112.99
O=C(NCC(F)=C1CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030039799	0	39	-2.0	-101.38	369.09	2.61	-98.77
O=C(NCC(F)=C1CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030039802	0	39	-2.0	-93.21	369.11	2.60	-90.61
O=C(NCC(F)=C1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030039815	1	37	-2.0	-103.68	357.66	2.46	-101.22
O=C(NCC(F)=C1CN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030039836	0	39	-2.0	-89.11	367.66	1.10	-88.01
O=C(NCC(F)=C1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300030039919	0	35	-2.0	-87.83	338.27	-4.55	-92.38
O=C(NCC(F)=C1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030039919	1	35	-2.0	-87.83	338.27	-4.55	-92.38
O=C(NCC(F)=C1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1)C1=CC(=O)[N-]O1	REAL300030039953	0	39	-2.0	-97.67	361.68	-0.50	-98.17
O=C(NCC(F)=C1CN(C(=O)C2=C(O)C3=CC=CC=C3C=N2)C1)C1=CC(=O)[N-]O1	REAL300030039996	0	42	-2.0	-106.40	381.74	3.35	-103.05
O=C(NCC(F)=C1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1)C1=CC(=O)[N-]O1	REAL300030039996	1	42	-2.0	-106.40	381.74	3.35	-103.05
O=C(NCC(F)=C1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=CC(=O)[N-]O1	REAL300030039997	0	33	-2.0	-92.22	340.68	-1.56	-93.78
CC1=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300030040053	0	40	-2.0	-89.17	374.21	0.44	-88.73
O=C(NCC(F)=C1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1)C1=CC(=O)[N-]O1	REAL300030040134	0	37	-2.0	-93.00	361.65	1.09	-91.91
O=C(NCC(F)=C1CN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030040140	0	38	-2.0	-91.57	359.55	-0.04	-91.61
O=C(NCC(F)=C1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030040140	1	38	-2.0	-91.57	359.55	-0.04	-91.61
O=C(NCC(F)=C1CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1)C1=CC(=O)[N-]O1	REAL300030040149	0	39	-2.0	-101.78	368.38	-0.74	-102.52
O=C(NCC(F)=C1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030040162	0	36	-2.0	-97.98	352.74	1.53	-96.45
O=C(CC1=CC=C(O)C(Cl)=C1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040168	0	40	-2.0	-99.80	384.75	2.13	-97.67
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040168	1	40	-2.0	-99.80	384.75	2.13	-97.67
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300030040230	0	33	-2.0	-95.08	319.89	-2.25	-97.33
CC1SC(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300030040265	0	36	-2.0	-98.27	351.52	-2.18	-100.45
CC1=C([O-])N=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030040265	1	36	-2.0	-98.27	351.52	-2.18	-100.45
O=C(NCC(F)=C1CN(C(=O)C2=C(O)C=CC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300030040316	0	43	-2.0	-109.76	392.74	3.01	-106.75
O=C(NCC(F)=C1CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300030040316	1	43	-2.0	-109.76	392.74	3.01	-106.75
O=C(NCC(F)=C1CN(C(=O)C2=C(O)C3=CC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030040336	0	43	-2.0	-109.08	385.91	4.27	-104.81
O=C(NCC(F)=C1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030040336	1	43	-2.0	-109.08	385.91	4.27	-104.81
O=C(NCC(F)=C1CN(C(=O)C2=CC3=CC=CC=C3C=C2O)C1)C1=CC(=O)[N-]O1	REAL300030040344	0	43	-2.0	-113.02	387.05	4.19	-108.83
O=C(NCC(F)=C1CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030040344	1	43	-2.0	-113.02	387.05	4.19	-108.83
O=C(NCC(F)=C1CN(C(=O)C(=O)C2=CC=C(O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300030040396	0	39	-2.0	-91.58	362.18	0.69	-90.89
O=C(NCC(F)=C1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300030040396	1	39	-2.0	-91.58	362.18	0.69	-90.89
O=C(NCC(F)=C1CN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=CC(=O)[N-]O1	REAL300030040433	0	36	-2.0	-103.43	358.35	-1.31	-104.74
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)C=C(Cl)N2)C1)C1=CC(=O)[N-]O1	REAL300030040468	0	36	-2.0	-86.77	354.55	0.84	-85.93
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030040468	1	36	-2.0	-86.77	354.55	0.84	-85.93
CSC1=NC=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030040494	0	39	-2.0	-103.12	369.70	0.12	-103.00
CSC1=NC=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030040494	1	39	-2.0	-103.12	369.70	0.12	-103.00
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030040502	0	37	-2.0	-90.56	345.56	-3.89	-94.45
CCN1[N-]C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030040583	0	40	-2.0	-93.34	369.43	0.07	-93.27
CN1[N-]C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030040605	0	37	-2.0	-92.73	347.70	-0.87	-93.60
O=C(CSC1=NNC(=O)[N-]1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040622	0	37	-2.0	-94.48	364.06	-2.77	-97.25
CC1=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C(=S)NC(=O)N1	REAL300030040624	0	39	-2.0	-102.52	377.44	-1.60	-104.12
CC1=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300030040624	1	39	-2.0	-102.52	377.44	-1.60	-104.12
O=C(NCC(F)=C1CN(C(=O)C2=C(O)C=NC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300030040695	0	42	-2.0	-104.84	387.37	1.11	-103.73
O=C(NCC(F)=C1CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300030040695	1	42	-2.0	-104.84	387.37	1.11	-103.73
O=C(CC1=CC(=O)NN1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040801	0	37	-2.0	-99.16	347.75	-1.98	-101.14
O=C(CC1=CC(=O)N[N-]1)N1CC(=C(F)CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030040801	1	37	-2.0	-99.16	347.75	-1.98	-101.14
O=C(NCC(F)=C1CN(C(=O)C2=CC=C(O)C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300030040807	0	37	-2.0	-97.34	345.64	0.54	-96.80
O=C(NCC(F)=C1CN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300030040807	1	37	-2.0	-97.34	345.64	0.54	-96.80
O=C(NCC(F)=C1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300030040869	0	37	-2.0	-96.42	351.85	0.62	-95.80
O=C(NCC(F)=C1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030040875	0	36	-2.0	-100.76	348.74	0.74	-100.02
CC1=C(CC(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300030040896	0	43	-2.0	-97.62	390.62	0.42	-97.20
CC1=CN=C(C(=O)N2CC(=C(F)CNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030040946	1	39	-2.0	-103.16	357.99	1.65	-101.51
O=C(NCC(F)=C1CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030040961	0	38	-2.0	-101.54	374.25	-1.42	-102.96
O=C(NCC(F)=C1CN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300030040982	0	34	-2.0	-100.30	332.12	-0.45	-100.75
O=C(NCC(F)=C1CN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300030041004	0	37	-2.0	-102.29	345.55	0.92	-101.37
O=C(NCC(F)=C1CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030041010	0	37	-2.0	-97.18	363.35	2.55	-94.63
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)NC1=O	REAL300030041062	0	37	-2.0	-91.71	350.63	-1.03	-92.74
O=C(NCC(F)=C1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030041097	1	38	-2.0	-83.65	361.68	-0.41	-84.06
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300030042429	0	43	-2.0	-91.02	357.79	-3.55	-94.57
O=C(CN1C(=O)[N-]NC1=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030042525	0	45	-2.0	-92.05	371.32	-2.00	-94.05
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300030043178	0	45	-2.0	-100.99	368.28	2.47	-98.52
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300030043300	0	45	-2.0	-88.15	369.45	-2.31	-90.46
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300030043311	1	41	-2.0	-92.73	341.52	-2.46	-95.19
CCN1[N-]C(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030043489	0	48	-2.0	-92.18	390.89	1.17	-91.01
O=C(CC1=CC(=O)N[N-]1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043497	1	45	-2.0	-93.55	367.01	-0.86	-94.41
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=S)N1[O-]	REAL300030043516	0	45	-2.0	-115.34	377.54	4.64	-110.70
O=C(CC1SC(=O)[N-]C1=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043526	0	45	-2.0	-85.84	380.40	-2.34	-88.18
CN1N=C(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030043542	0	44	-2.0	-94.32	363.67	-1.26	-95.58
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300030043634	0	43	-2.0	-86.45	350.57	0.69	-85.76
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300030043744	0	42	-2.0	-88.98	346.35	-1.48	-90.46
C[PH](C)([O-])C(=O)C(=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043749	0	47	-2.0	-87.75	384.63	-0.28	-88.03
O=C(CCC1=NC(=O)NN1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043778	0	47	-2.0	-99.22	382.28	-1.80	-101.02
O=C(CCC1=NC(=O)[N-]N1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030043778	1	47	-2.0	-99.22	382.28	-1.80	-101.02
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300030043783	0	45	-2.0	-110.38	366.16	2.68	-107.70
CC1SC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030043814	0	44	-2.0	-100.05	372.77	-1.36	-101.41
CC1=C([O-])N=C(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300030043814	1	44	-2.0	-100.05	372.77	-1.36	-101.41
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)N1	REAL300030043828	0	44	-2.0	-85.77	376.50	1.83	-83.94
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)[N-]1	REAL300030043828	1	44	-2.0	-85.77	376.50	1.83	-83.94
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300030043847	0	45	-2.0	-101.83	369.36	2.59	-99.24
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300030043886	0	45	-2.0	-113.48	366.43	3.60	-109.88
O=C(C[N-]C(=O)C(F)(F)F)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044016	0	44	-2.0	-87.32	375.77	-1.71	-89.03
NC1=NC([O-])=C(CC(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300030044017	0	46	-2.0	-104.96	387.67	-2.42	-107.38
O=C(CC1=NC([O-])=CS1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044065	0	44	-2.0	-103.38	372.16	-1.67	-105.05
CCC1=NC=C(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030044083	1	49	-2.0	-95.07	391.74	1.02	-94.05
O=C(CN1N=CC(=O)[N-]C1=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044092	0	46	-2.0	-94.91	382.36	-2.99	-97.90
CC1=CC(=O)C(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030044313	0	46	-2.0	-93.33	374.95	2.31	-91.02
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]1	REAL300030044329	0	41	-2.0	-91.57	340.84	-2.93	-94.50
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C=N[O-])S1	REAL300030044451	0	44	-2.0	-98.61	381.73	0.12	-98.49
COC1=NC(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030044466	0	47	-2.0	-91.19	387.07	-3.46	-94.65
CN1[N-]C(C(=O)NCCC2CCCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030044630	0	45	-2.0	-91.43	369.17	0.23	-91.20
O=C(CSC1=NNC(=O)[N-]1)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044637	0	45	-2.0	-90.78	382.63	-1.76	-92.54
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300030044804	0	43	-2.0	-93.90	359.74	-4.55	-98.45
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300030044804	1	43	-2.0	-87.13	360.12	-3.78	-90.91
O=C(CN1[N-]C(=O)C=CC1=O)NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030044963	0	47	-2.0	-93.04	388.14	-0.90	-93.94
O=C(NCCC1CCCCN1C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030045216	1	44	-2.0	-103.55	358.22	2.40	-101.15
O=C(NCCC1CCCCN1C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300030045336	0	43	-2.0	-95.43	357.78	-3.39	-98.82
O=C(CN1C(=O)[N-]NC1=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030045492	0	45	-2.0	-97.28	374.57	-1.75	-99.03
O=C(NCCC1CCCCN1C(=O)C1=CC(Cl)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030046732	1	45	-2.0	-101.18	379.01	3.49	-97.69
N#CC1=CC([O-])=CC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030046756	1	46	-2.0	-84.60	386.15	2.21	-82.39
CCC1=NC=C(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030046830	1	49	-2.0	-87.73	397.76	1.26	-86.47
O=C(NCCC1CCCCN1C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030046846	1	41	-2.0	-85.52	341.23	-0.98	-86.50
O=C(C[N-]C(=O)C(F)(F)F)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046916	0	44	-2.0	-88.92	379.02	-1.47	-90.39
NC1=NC([O-])=C(CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030046917	0	46	-2.0	-108.74	390.88	-2.23	-110.97
O=C(NCCC1CCCCN1C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300030046938	1	45	-2.0	-93.01	368.96	1.88	-91.13
O=C(NCCC1CCCCN1C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300030046944	0	44	-2.0	-89.41	368.94	1.34	-88.07
N#CC1=CC=C(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300030046951	1	46	-2.0	-98.18	384.11	2.23	-95.95
O=C(NCCC1CCCCN1C(=O)C1=CC(Cl)=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300030046954	0	44	-2.0	-96.55	375.80	1.52	-95.03
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030046968	0	46	-2.0	-101.82	385.49	-2.88	-104.70
CC1=CC=C([O-])C(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030047027	1	47	-2.0	-104.45	379.83	2.97	-101.48
O=C(CCC1=NNC(=O)[N-]1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047028	0	47	-2.0	-92.49	384.91	-1.09	-93.58
O=C(NCCC1CCCCN1C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300030047046	0	43	-2.0	-82.90	354.34	0.40	-82.50
O=C(NCCC1CCCCN1C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300030047054	0	45	-2.0	-109.59	370.28	2.98	-106.61
O=C(NCCC1CCCCN1C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300030047142	1	45	-2.0	-105.77	370.56	1.91	-103.86
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300030047234	0	42	-2.0	-88.61	346.11	-1.05	-89.66
C[PH](C)([O-])C(=O)C(=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047239	0	47	-2.0	-90.83	385.09	-0.14	-90.97
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030047323	0	45	-2.0	-105.45	371.24	2.40	-103.05
O=C(NCCC1CCCCN1C(=O)C1=NNC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030047349	0	41	-2.0	-93.03	340.81	-2.54	-95.57
O=C(NCCC1CCCCN1C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300030047354	0	45	-2.0	-98.17	372.83	2.92	-95.25
O=C(NCCC1CCCCN1C(=O)C1=CC(F)=CC=C1O)C1=CC(=O)[N-]O1	REAL300030047501	0	45	-2.0	-100.38	368.69	3.04	-97.34
O=C(NCCC1CCCCN1C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030047501	1	45	-2.0	-100.38	368.69	3.04	-97.34
CC1=CC=NC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)=C1O	REAL300030047561	0	47	-2.0	-103.14	378.46	3.08	-100.06
CC1=CC=NC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300030047561	1	47	-2.0	-103.14	378.46	3.08	-100.06
O=C(NCCC1CCCCN1C(=O)C1=CN=CC(O)=C1)C1=CC(=O)[N-]O1	REAL300030047669	0	44	-2.0	-96.07	358.33	-0.10	-96.17
O=C(NCCC1CCCCN1C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030047669	1	44	-2.0	-96.07	358.33	-0.10	-96.17
O=C(NCCC1CCCCN1C(=O)C1=CC=CC(=S)N1[O-])C1=CC(=O)[N-]O1	REAL300030047679	0	45	-2.0	-127.56	380.78	3.89	-123.67
O=C(NCCC1CCCCN1C(=O)C1=CC=C([O-])C(Cl)=N1)C1=CC(=O)[N-]O1	REAL300030047785	0	44	-2.0	-83.15	376.58	1.39	-81.76
O=C(NCCC1CCCCN1C(=O)C1=CC=C(O)C=C1Cl)C1=CC(=O)[N-]O1	REAL300030047828	0	45	-2.0	-91.16	377.25	2.31	-88.85
O=C(NCCC1CCCCN1C(=O)C1=CC=C([O-])C=C1Cl)C1=CC(=O)[N-]O1	REAL300030047828	1	45	-2.0	-91.16	377.25	2.31	-88.85
N#CC1=CC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)=C([O-])C=C1N	REAL300030047829	0	48	-2.0	-98.23	397.37	1.24	-96.99
O=C(CC1=NC([O-])=CS1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047836	0	44	-2.0	-111.99	375.41	-1.37	-113.36
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047850	0	47	-2.0	-97.76	390.69	-0.78	-98.54
O=C(NCCC1CCCCN1C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300030047851	0	45	-2.0	-104.30	368.69	3.04	-101.26
O=C(CC1SC(=O)[N-]C1=O)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030047938	0	45	-2.0	-89.23	382.68	-2.15	-91.38
O=C(NCCC1CCCCN1C(=O)C1=CC=C([O-])C(F)=C1F)C1=CC(=O)[N-]O1	REAL300030047958	0	45	-2.0	-95.21	375.05	1.94	-93.27
O=C(NCCC1CCCCN1C(=O)C1=CC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300030047965	0	45	-2.0	-103.78	380.08	3.44	-100.34
CC1=CC(=O)C(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030047989	0	46	-2.0	-93.29	374.96	2.49	-90.80
O=C(NCCC1CCCCN1C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300030048009	0	45	-2.0	-123.67	369.68	2.99	-120.68
N#CC1=CC=C(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030048031	0	45	-2.0	-82.07	384.50	0.92	-81.15
CN1N=C(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030048078	0	44	-2.0	-96.33	363.64	-0.89	-97.22
N#CC1=CC=C([O-])C(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030048128	0	46	-2.0	-96.78	383.13	3.37	-93.41
O=C(NCCC1CCCCN1C(=O)C1=CN([O-])C(=O)NC1=O)C1=CC(=O)[N-]O1	REAL300030048213	0	45	-2.0	-90.24	377.95	0.39	-89.85
O=C(NCCC1CCCCN1C(=O)C1=CC=C(F)C(O)=C1)C1=CC(=O)[N-]O1	REAL300030048261	0	45	-2.0	-90.58	371.88	1.91	-88.67
O=C(NCCC1CCCCN1C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300030048261	1	45	-2.0	-90.58	371.88	1.91	-88.67
O=C(NCCC1CCCCN1C(=O)C1=CC=C(Cl)C=C1O)C1=CC(=O)[N-]O1	REAL300030048277	0	45	-2.0	-104.02	379.00	3.50	-100.52
O=C(NCCC1CCCCN1C(=O)C1=CC=C(Cl)C=C1[O-])C1=CC(=O)[N-]O1	REAL300030048277	1	45	-2.0	-104.02	379.00	3.50	-100.52
O=C(NCCC1CCCCN1C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300030048337	0	43	-2.0	-88.35	359.35	-3.51	-91.86
O=C(NCCC1CCCCN1C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030048337	1	43	-2.0	-84.37	359.92	-2.75	-87.12
NC1=NC=C(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030048386	1	45	-2.0	-88.10	371.07	-0.38	-88.48
CC1=C(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300030048407	0	48	-2.0	-92.30	404.35	0.90	-91.40
O=C(NCCC1CCCCN1C(=O)C1=CC=C(F)C([O-])=C1F)C1=CC(=O)[N-]O1	REAL300030048419	0	45	-2.0	-106.31	375.01	1.93	-104.38
COC1=NC(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030048464	0	47	-2.0	-93.59	384.82	-2.52	-96.11
O=C(NCCC1CCCCN1C(=O)C1=NC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300030048470	0	44	-2.0	-99.66	374.41	2.90	-96.76
O=C(NCCC1CCCCN1C(=O)C1=CC=C(Cl)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300030048501	0	45	-2.0	-87.10	381.70	2.41	-84.69
O=C(NCCC1CCCCN1C(=O)C1=CC=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300030048509	0	44	-2.0	-103.03	359.36	1.05	-101.98
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300030048514	0	41	-2.0	-92.63	341.09	-0.99	-93.62
CC1=C([O-])N=C(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030048534	1	44	-2.0	-91.20	373.13	-0.26	-91.46
O=C(NCCC1CCCCN1C(=O)C(=O)C1=CC=C([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030048621	1	47	-2.0	-90.31	392.42	1.89	-88.42
O=C(NCCC1CCCCN1C(=O)C1=CN=C(C=N[O-])S1)C1=CC(=O)[N-]O1	REAL300030048641	0	44	-2.0	-100.52	381.47	-0.07	-100.59
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=CC(=O)[N-]O1	REAL300030048661	1	44	-2.0	-85.19	376.27	2.44	-82.75
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030048683	0	45	-2.0	-86.94	371.47	-2.49	-89.43
CCN1[N-]C(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030048740	0	48	-2.0	-92.42	390.64	1.59	-90.83
CN1[N-]C(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030048756	0	45	-2.0	-91.46	368.73	0.64	-90.82
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048765	0	45	-2.0	-92.77	386.49	-1.43	-94.20
O=C(CC1=CC(=O)N[N-]1)N1CCCCC1CCNC(=O)C1=CC(=O)[N-]O1	REAL300030048876	1	45	-2.0	-99.95	369.63	-0.68	-100.63
O=C(NCCC1CCCCN1C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300030048881	1	45	-2.0	-91.36	371.85	1.95	-89.41
O=C(NCCC1CCCCN1C(=O)C1=CC(F)=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300030048919	0	45	-2.0	-92.35	375.82	1.96	-90.39
O=C(NCCC1CCCCN1C(=O)C1=CC=NC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300030048923	0	44	-2.0	-101.26	375.12	1.54	-99.72
CC1=C(CC(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300030048937	0	51	-2.0	-100.67	412.38	1.75	-98.92
CC1=CN=C(C(=O)N2CCCCC2CCNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030048973	1	47	-2.0	-105.05	379.66	3.03	-102.02
O=C(NCCC1CCCCN1C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300030048994	0	42	-2.0	-101.31	354.45	0.68	-100.63
O=C(NCCC1CCCCN1C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300030049007	0	45	-2.0	-105.61	371.19	2.40	-103.21
O=C(NCCC1CCCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)NC1=O	REAL300030049034	0	45	-2.0	-90.56	371.45	0.16	-90.40
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300030049592	1	42	-2.0	-107.79	365.99	1.73	-106.06
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030049899	0	42	-2.0	-81.16	372.80	-0.09	-81.25
O=C(CCCN1C(=O)[N-]NC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030050449	0	43	-2.0	-98.42	382.09	-1.32	-99.74
CC(C)CN1[N-]C(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030050647	0	49	-2.0	-104.77	416.53	2.45	-102.32
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030050741	0	41	-2.0	-95.37	369.79	-4.04	-99.41
CC(=O)[N-]C1=NC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=CS1	REAL300030050742	1	39	-2.0	-84.70	361.53	-0.39	-85.09
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030050956	1	42	-2.0	-99.95	375.37	0.08	-99.87
COC1=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)NC(=O)[N-]C1=O	REAL300030051101	1	40	-2.0	-97.82	354.72	-2.89	-100.71
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300030051252	0	35	-2.0	-95.50	322.85	-4.15	-99.65
O=C(CN1C(=O)[N-]NC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030051394	0	37	-2.0	-98.95	339.56	-2.52	-101.47
CC1=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]C(C(C)C)=N1	REAL300030051437	1	47	-2.0	-112.99	405.38	0.88	-112.11
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300030052490	0	37	-2.0	-110.05	332.20	1.50	-108.55
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300030052697	0	37	-2.0	-88.48	332.77	-3.39	-91.87
O=C(C1=COC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030052713	1	33	-2.0	-87.40	306.79	-2.65	-90.05
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2	REAL300030052776	1	45	-2.0	-107.27	381.85	2.28	-104.99
CCN1[N-]C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030052997	0	40	-2.0	-92.85	356.17	0.55	-92.30
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053008	1	37	-2.0	-101.66	334.55	-1.48	-103.14
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CC(=S)N1[O-])C2	REAL300030053035	0	37	-2.0	-129.77	340.94	3.58	-126.19
O=C(CC1SC(=O)[N-]C1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053054	0	37	-2.0	-90.01	347.58	-2.98	-92.99
CN1N=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300030053074	0	36	-2.0	-96.19	329.00	-1.87	-98.06
CC1=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)NC(C2CC2)=N1	REAL300030053206	0	45	-2.0	-101.92	395.20	1.34	-100.58
CC1=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300030053206	1	45	-2.0	-101.92	395.20	1.34	-100.58
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300030053222	0	35	-2.0	-97.08	314.87	0.64	-96.44
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2	REAL300030053266	0	39	-2.0	-92.04	348.44	-0.02	-92.06
O=C(C1=CC(=O)N[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053393	0	34	-2.0	-89.25	311.62	-2.08	-91.33
C[PH](C)([O-])C(=O)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053398	0	39	-2.0	-90.37	350.23	-0.89	-91.26
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300030053452	0	37	-2.0	-116.00	340.51	1.80	-114.20
CSC1=NC=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N1	REAL300030053478	0	39	-2.0	-106.70	356.38	0.61	-106.09
CSC1=NC=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030053478	1	39	-2.0	-106.70	356.38	0.61	-106.09
CC1SC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NC1=O	REAL300030053506	0	36	-2.0	-92.95	338.27	-1.68	-94.63
CC1=C([O-])N=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300030053506	1	36	-2.0	-92.95	338.27	-1.68	-94.63
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(=O)C=C(Cl)N1)C2	REAL300030053530	0	36	-2.0	-86.11	341.28	1.33	-84.78
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2	REAL300030053530	1	36	-2.0	-86.11	341.28	1.33	-84.78
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300030053558	0	37	-2.0	-107.64	332.65	1.51	-106.13
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300030053633	0	37	-2.0	-126.37	329.83	2.54	-123.83
O=C(C[N-]C(=O)C(F)(F)F)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053851	0	36	-2.0	-90.14	344.02	-2.23	-92.37
NC1=NC([O-])=C(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030053852	0	38	-2.0	-111.41	355.23	-3.06	-114.47
O=C(CC1=NC([O-])=CS1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053931	0	36	-2.0	-112.88	340.40	-2.18	-115.06
CCC1=NC=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030053963	1	41	-2.0	-105.97	355.14	1.09	-104.88
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030053977	0	38	-2.0	-103.71	349.92	-3.64	-107.35
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C(Cl)C(=O)[N-]S1)C2	REAL300030054076	0	33	-2.0	-90.97	327.41	-1.09	-92.06
COCC1=NC=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N1	REAL300030054216	0	42	-2.0	-106.57	368.07	-0.67	-107.24
COCC1=NC=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030054216	1	42	-2.0	-106.57	368.07	-0.67	-107.24
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN=C(CC3CC3)NC1=O)C2	REAL300030054231	0	45	-2.0	-105.91	386.05	2.68	-103.23
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN=C(CC3CC3)[N-]C1=O)C2	REAL300030054231	1	45	-2.0	-105.91	386.05	2.68	-103.23
CC1=CC(=O)C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N[N-]1	REAL300030054339	0	38	-2.0	-99.76	340.07	1.72	-98.04
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NNC(=O)[N-]1)C2	REAL300030054362	0	33	-2.0	-93.21	306.25	-3.54	-96.75
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C2	REAL300030054392	0	38	-2.0	-96.34	346.72	0.45	-95.89
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C2	REAL300030054392	1	38	-2.0	-96.34	346.72	0.45	-95.89
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN=C(C=N[O-])S1)C2	REAL300030054555	0	36	-2.0	-102.21	345.07	-0.83	-103.04
CN1[N-]C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030054841	0	37	-2.0	-92.09	334.44	-0.38	-92.47
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CC3=C1C(=O)[N-]C3=O)C2	REAL300030054851	1	40	-2.0	-112.17	357.94	-0.42	-112.59
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030054855	0	37	-2.0	-94.58	350.88	-2.26	-96.84
CC1=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=S)[N-]C(=O)N1	REAL300030054856	1	39	-2.0	-107.14	363.52	-0.75	-107.89
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300030055121	0	35	-2.0	-102.86	324.42	-4.82	-107.68
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300030055121	1	35	-2.0	-95.18	324.99	-4.09	-99.27
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030055221	0	39	-2.0	-100.44	360.63	-5.95	-106.39
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030055221	1	39	-2.0	-94.26	360.57	-5.88	-100.14
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030055399	0	39	-2.0	-99.72	355.68	-1.54	-101.26
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NC=CC=C1[O-])C2	REAL300030055644	1	36	-2.0	-104.48	323.27	1.50	-102.98
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030055774	1	42	-2.0	-99.95	375.37	0.08	-99.87
CC(=O)[N-]C1=NC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=CS1	REAL300030055792	1	39	-2.0	-84.70	361.53	-0.39	-85.09
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300030055833	0	35	-2.0	-95.50	322.85	-4.15	-99.65
COC1=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)NC(=O)[N-]C1=O	REAL300030055903	1	40	-2.0	-97.82	354.72	-2.89	-100.71
O=C(CN1C(=O)[N-]NC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030056116	0	37	-2.0	-98.95	339.56	-2.52	-101.47
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030056186	0	41	-2.0	-99.33	372.95	0.36	-98.97
O=C(CCCN1C(=O)[N-]NC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030057384	0	43	-2.0	-98.42	382.09	-1.32	-99.74
CC(C)CN1[N-]C(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030057595	0	49	-2.0	-104.77	416.53	2.45	-102.32
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300030057655	1	42	-2.0	-107.79	365.99	1.73	-106.06
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030057909	0	42	-2.0	-81.16	372.80	-0.09	-81.25
CC1=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]C(C(C)C)=N1	REAL300030058464	1	47	-2.0	-112.99	405.38	0.88	-112.11
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030058811	0	41	-2.0	-95.37	369.79	-4.04	-99.41
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C2	REAL300030058821	0	39	-2.0	-99.46	352.58	2.76	-96.70
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(Cl)=CC=C1[O-])C2	REAL300030058840	1	37	-2.0	-104.61	343.49	3.06	-101.55
N#CC1=CC([O-])=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030058881	1	38	-2.0	-95.69	347.49	1.29	-94.40
NC1=CC=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C([O-])=C1Cl	REAL300030058918	0	39	-2.0	-109.56	355.25	1.04	-108.52
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C2	REAL300030058990	0	39	-2.0	-112.52	352.81	3.87	-108.65
CCC1=NC=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030059029	1	41	-2.0	-105.97	355.14	1.09	-104.88
O=C(C1=COC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059059	1	33	-2.0	-87.40	306.79	-2.65	-90.05
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CC([O-])=C1[N+](=O)[O-])C2	REAL300030059156	0	39	-2.0	-110.66	355.94	2.58	-108.08
O=C(C[N-]C(=O)C(F)(F)F)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059176	0	36	-2.0	-90.14	344.02	-2.23	-92.37
NC1=NC([O-])=C(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030059177	0	38	-2.0	-111.41	355.23	-3.06	-114.47
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C(F)C=C([O-])C=C1F)C2	REAL300030059190	0	37	-2.0	-90.54	346.96	1.39	-89.15
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C([O-])C=C1F)C2	REAL300030059223	1	37	-2.0	-100.60	334.48	1.08	-99.52
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC([O-])=C3SC=CC3=C1)C2	REAL300030059234	1	40	-2.0	-108.68	363.58	2.28	-106.40
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC([O-])=CC(=O)O1)C2	REAL300030059237	0	36	-2.0	-88.77	331.64	0.47	-88.30
N#CC1=CC=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1[O-]	REAL300030059252	1	38	-2.0	-100.14	346.80	1.40	-98.74
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(Cl)=NC=C1[O-])C2	REAL300030059258	0	36	-2.0	-103.27	336.47	1.26	-102.01
N#CC1=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C(N)[N-]C1=O	REAL300030059267	0	39	-2.0	-90.14	362.25	-1.67	-91.81
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059288	0	38	-2.0	-103.71	349.92	-3.64	-107.35
CC1=CC=C([O-])C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300030059401	1	39	-2.0	-106.58	344.88	2.10	-104.48
O=C(CCC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059405	0	39	-2.0	-97.54	349.75	-1.92	-99.46
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300030059434	0	35	-2.0	-97.08	314.87	0.64	-96.44
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CC(F)=C1[O-])C2	REAL300030059449	0	37	-2.0	-111.36	333.02	2.63	-108.73
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CC([O-])=C1F)C2	REAL300030059607	1	37	-2.0	-107.41	333.31	1.11	-106.30
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C2	REAL300030059705	0	39	-2.0	-102.59	352.61	2.74	-99.85
O=C(C1=CC(=O)N[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059784	0	34	-2.0	-89.25	311.62	-2.08	-91.33
C[PH](C)([O-])C(=O)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059792	0	39	-2.0	-90.37	350.23	-0.89	-91.26
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030059827	0	42	-2.0	-113.60	379.41	2.70	-110.90
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN=C(CC3CC3)[N-]C1=O)C2	REAL300030059851	1	45	-2.0	-105.91	386.05	2.68	-103.23
NC1=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C(F)C([O-])=C1F	REAL300030059866	0	39	-2.0	-108.48	354.48	-0.97	-109.45
COCC1=NC=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030059877	1	42	-2.0	-106.57	368.07	-0.67	-107.24
CC1=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300030059887	0	42	-2.0	-96.55	372.66	3.49	-93.06
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(F)=CC(F)=C1[O-])C2	REAL300030059916	0	37	-2.0	-102.34	340.31	2.57	-99.77
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300030059953	0	37	-2.0	-107.64	332.65	1.51	-106.13
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(F)=C(F)C([O-])=C1F)C2	REAL300030059994	0	37	-2.0	-99.17	346.65	1.20	-97.97
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300030059996	0	33	-2.0	-87.91	306.36	-3.09	-91.00
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C([O-])C=CC=C1Cl)C2	REAL300030060001	1	37	-2.0	-109.37	349.94	1.73	-107.64
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300030060011	0	37	-2.0	-116.00	340.51	1.80	-114.20
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C(F)C=CC([O-])=C1F)C2	REAL300030060060	1	37	-2.0	-97.84	346.95	1.33	-96.51
CC1=NC2=NC=C(C(=O)N3CC4(CN(C(=O)C5=CC(=O)[N-]O5)C4)C3)C(=O)N2[N-]1	REAL300030060155	0	41	-2.0	-102.55	362.36	3.84	-98.71
NC1=CC(=O)[N-]C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300030060205	0	37	-2.0	-99.50	335.44	-2.51	-102.01
N#CC1=CN(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]C1=O	REAL300030060221	0	40	-2.0	-107.18	374.31	-1.34	-108.52
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C2	REAL300030060298	0	37	-2.0	-97.22	342.60	1.51	-95.71
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(F)=CC=C1[O-])C2	REAL300030060307	1	37	-2.0	-104.07	333.18	2.61	-101.46
CC1=CC=NC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1[O-]	REAL300030060423	1	39	-2.0	-104.56	343.64	2.22	-102.34
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C(Cl)C(F)=C1[O-])C2	REAL300030060492	0	37	-2.0	-107.00	349.16	3.13	-103.87
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN=CC([O-])=C1)C2	REAL300030060633	1	36	-2.0	-101.08	321.68	-0.88	-101.96
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CC(=S)N1[O-])C2	REAL300030060649	0	37	-2.0	-129.77	340.94	3.58	-126.19
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2	REAL300030060824	1	45	-2.0	-107.27	381.85	2.28	-104.99
NC1=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC([O-])=C1Cl	REAL300030060843	1	39	-2.0	-101.13	355.34	-0.58	-101.71
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C([O-])C(Cl)=N1)C2	REAL300030060848	0	36	-2.0	-94.96	341.56	0.29	-94.67
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030060926	0	41	-2.0	-101.20	364.96	1.06	-100.14
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C([O-])C=C1Cl)C2	REAL300030060933	1	37	-2.0	-99.46	342.97	1.53	-97.93
N#CC1=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C([O-])C=C1N	REAL300030060936	0	40	-2.0	-102.89	360.44	0.83	-102.06
O=C(CC1=NC([O-])=CS1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030060951	0	36	-2.0	-112.88	340.40	-2.18	-115.06
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C([O-])C=CC=C1F)C2	REAL300030060979	0	37	-2.0	-100.53	340.45	1.37	-99.16
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030060983	0	39	-2.0	-99.72	355.68	-1.54	-101.26
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C(F)C=C1[O-])C2	REAL300030060988	0	37	-2.0	-107.29	334.26	2.46	-104.83
CC1=CC=C(F)C([O-])=C1C(=O)N1CC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030061048	0	40	-2.0	-101.76	360.02	1.90	-99.86
O=C(CC1SC(=O)[N-]C1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030061161	0	37	-2.0	-90.01	347.58	-2.98	-92.99
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C([O-])C(F)=C1F)C2	REAL300030061195	0	37	-2.0	-96.46	339.53	1.17	-95.29
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C2	REAL300030061199	1	38	-2.0	-90.20	356.64	-0.19	-90.39
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CC(Cl)=C1[O-])C2	REAL300030061206	0	37	-2.0	-105.77	342.83	3.10	-102.67
CC1=CC(=O)C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N[N-]1	REAL300030061250	0	38	-2.0	-99.76	340.07	1.72	-98.04
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030061255	0	42	-2.0	-108.18	371.92	1.52	-106.66
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300030061294	0	37	-2.0	-126.37	329.83	2.54	-123.83
N#CC1=CC=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030061344	0	37	-2.0	-105.99	340.34	0.64	-105.35
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030061345	0	39	-2.0	-100.44	360.63	-5.95	-106.39
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030061345	1	39	-2.0	-94.26	360.57	-5.88	-100.14
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C2	REAL300030061377	0	39	-2.0	-97.00	354.54	2.63	-94.37
CN1N=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300030061427	0	36	-2.0	-96.19	329.00	-1.87	-98.06
[N-]=[N+]=NC1=CC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC=C1[O-]	REAL300030061474	0	39	-2.0	-96.09	354.33	-1.22	-97.31
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C(F)C=CC(O)=C1O)C2	REAL300030061521	0	38	-2.0	-100.95	351.32	-0.58	-101.53
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C(F)C=CC(O)=C1[O-])C2	REAL300030061521	1	38	-2.0	-100.95	351.32	-0.58	-101.53
N#CC1=CC=C([O-])C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030061535	0	38	-2.0	-100.98	347.60	2.95	-98.03
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN([O-])C(=O)NC1=O)C2	REAL300030061698	0	37	-2.0	-94.29	335.63	0.22	-94.07
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(Cl)=C(F)C=C1[O-])C2	REAL300030061742	0	37	-2.0	-101.11	349.29	3.11	-98.00
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C(F)C([O-])=C1)C2	REAL300030061782	1	37	-2.0	-106.00	332.84	0.98	-105.02
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C([O-])C3=NC=CC=C3C=C1)C2	REAL300030061792	1	42	-2.0	-118.50	367.50	3.02	-115.48
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C2	REAL300030061796	0	39	-2.0	-104.34	356.01	3.07	-101.27
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C2	REAL300030061800	0	39	-2.0	-97.52	354.93	3.23	-94.29
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C(Cl)C=C1[O-])C2	REAL300030061814	1	37	-2.0	-107.11	344.58	2.94	-104.17
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C2	REAL300030061846	0	39	-2.0	-94.99	354.83	1.59	-93.40
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300030061955	0	35	-2.0	-95.18	324.99	-4.09	-99.27
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300030061955	1	35	-2.0	-95.18	324.99	-4.09	-99.27
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2	REAL300030062005	0	39	-2.0	-92.04	348.44	-0.02	-92.06
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C(O)C3=CC=CC=C3C=N1)C2	REAL300030062054	0	42	-2.0	-109.84	368.50	3.86	-105.98
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2	REAL300030062054	1	42	-2.0	-109.84	368.50	3.86	-105.98
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C(Cl)C(=O)[N-]S1)C2	REAL300030062055	0	33	-2.0	-90.97	327.41	-1.09	-92.06
NC1=NC=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N1	REAL300030062084	0	37	-2.0	-106.41	328.44	-0.56	-106.97
NC1=NC=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030062084	1	37	-2.0	-106.41	328.44	-0.56	-106.97
CC1=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C(=O)C(C#N)=C1	REAL300030062127	0	40	-2.0	-84.04	360.98	0.95	-83.09
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2	REAL300030062228	0	37	-2.0	-97.29	348.82	1.57	-95.72
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C2	REAL300030062237	0	38	-2.0	-96.34	346.72	0.45	-95.89
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C2	REAL300030062237	1	38	-2.0	-96.34	346.72	0.45	-95.89
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C3N[N-]N=C3C1=O)C2	REAL300030062247	0	39	-2.0	-97.87	355.00	-0.19	-98.06
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NC=CC(Cl)=C1[O-])C2	REAL300030062260	0	36	-2.0	-102.09	339.45	2.01	-100.08
O=C(CC1=CC=C(O)C(Cl)=C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062267	0	40	-2.0	-103.97	371.56	2.64	-101.33
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062267	1	40	-2.0	-103.97	371.56	2.64	-101.33
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062341	0	33	-2.0	-97.05	306.63	-1.75	-98.80
CC1SC(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NC1=O	REAL300030062392	0	36	-2.0	-92.95	338.27	-1.68	-94.63
CC1=C([O-])N=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300030062392	1	36	-2.0	-92.95	338.27	-1.68	-94.63
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C(O)C=CC3=CC=CC=C31)C2	REAL300030062454	0	43	-2.0	-104.45	379.53	3.50	-100.95
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C([O-])C=CC3=CC=CC=C31)C2	REAL300030062454	1	43	-2.0	-104.45	379.53	3.50	-100.95
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C(O)C3=CC=CC=C3C=C1)C2	REAL300030062473	0	43	-2.0	-112.45	371.65	4.86	-107.59
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C([O-])C3=CC=CC=C3C=C1)C2	REAL300030062473	1	43	-2.0	-112.45	371.65	4.86	-107.59
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC3=CC=CC=C3C=C1O)C2	REAL300030062482	0	43	-2.0	-114.08	372.85	4.85	-109.23
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC3=CC=CC=C3C=C1[O-])C2	REAL300030062482	1	43	-2.0	-114.08	372.85	4.85	-109.23
O=C(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C(O)C=C1	REAL300030062541	0	39	-2.0	-96.68	348.89	1.17	-95.51
O=C(C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([O-])C=C1	REAL300030062541	1	39	-2.0	-96.68	348.89	1.17	-95.51
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN=C(C=N[O-])S1)C2	REAL300030062581	0	36	-2.0	-102.21	345.07	-0.83	-103.04
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(=O)C=C(Cl)N1)C2	REAL300030062619	0	36	-2.0	-86.11	341.28	1.33	-84.78
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2	REAL300030062619	1	36	-2.0	-86.11	341.28	1.33	-84.78
CSC1=NC=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N1	REAL300030062650	0	39	-2.0	-106.70	356.38	0.61	-106.09
CSC1=NC=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030062650	1	39	-2.0	-106.70	356.38	0.61	-106.09
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300030062660	0	37	-2.0	-88.48	332.77	-3.39	-91.87
CCN1[N-]C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030062758	0	40	-2.0	-92.85	356.17	0.55	-92.30
O=C(CNC(=O)C1=NC=CC=C1O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062770	0	43	-2.0	-103.43	384.91	-0.17	-103.60
O=C(CNC(=O)C1=NC=CC=C1[O-])N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062770	1	43	-2.0	-103.43	384.91	-0.17	-103.60
CN1[N-]C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030062784	0	37	-2.0	-92.09	334.44	-0.38	-92.47
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CC3=C1C(=O)NC3=O)C2	REAL300030062798	0	40	-2.0	-112.17	357.94	-0.42	-112.59
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CC3=C1C(=O)[N-]C3=O)C2	REAL300030062798	1	40	-2.0	-112.17	357.94	-0.42	-112.59
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030062803	0	37	-2.0	-94.58	350.88	-2.26	-96.84
CC1=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=S)NC(=O)N1	REAL300030062805	0	39	-2.0	-107.14	363.52	-0.75	-107.89
CC1=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=S)[N-]C(=O)N1	REAL300030062805	1	39	-2.0	-107.14	363.52	-0.75	-107.89
CC1=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)NC(C2CC2)=N1	REAL300030062816	0	45	-2.0	-101.92	395.20	1.34	-100.58
CC1=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300030062816	1	45	-2.0	-101.92	395.20	1.34	-100.58
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C([O-])C=NC3=CC=CC=C31)C2	REAL300030062883	1	42	-2.0	-112.41	374.16	1.60	-110.81
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030063011	1	37	-2.0	-101.66	334.55	-1.48	-103.14
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C([O-])C(F)=C1)C2	REAL300030063018	1	37	-2.0	-101.06	332.80	1.02	-100.04
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(F)=C([O-])C(F)=C1)C2	REAL300030063092	0	37	-2.0	-94.01	339.05	1.11	-92.90
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=NC(Cl)=C1[O-])C2	REAL300030063098	0	36	-2.0	-108.88	335.78	1.27	-107.61
CC1=C(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N(C)[N-]1	REAL300030063123	0	43	-2.0	-102.42	377.43	0.93	-101.49
O=C(CCC(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([O-])C=C1	REAL300030063135	1	45	-2.0	-95.83	397.00	2.75	-93.08
CC1=CN=C(C(=O)N2CC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C([O-])=C1	REAL300030063179	1	39	-2.0	-105.91	344.72	2.14	-103.77
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C(O)C=CC(Cl)=C1[O-])C2	REAL300030063198	0	38	-2.0	-111.13	361.04	-0.94	-112.07
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC([O-])=CS1)C2	REAL300030063224	0	34	-2.0	-100.52	318.85	0.03	-100.49
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300030063252	0	37	-2.0	-110.05	332.20	1.50	-108.55
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(F)=CC(Cl)=C1[O-])C2	REAL300030063260	0	37	-2.0	-98.23	350.12	3.03	-95.20
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN([O-])C(=O)NC1=O)C2	REAL300030063318	0	37	-2.0	-94.29	335.63	0.22	-94.07
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C2	REAL300030063358	1	38	-2.0	-90.20	356.64	-0.19	-90.39
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300030063890	1	45	-2.0	-99.17	387.50	-1.02	-100.19
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCN1C(=O)[N-]NC1=O	REAL300030064556	0	46	-2.0	-94.12	399.57	-3.35	-97.47
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1=NNC(=O)[N-]C1=O	REAL300030064782	0	44	-2.0	-90.20	386.41	-6.04	-96.24
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CSC([N-]C(C)=O)=N1	REAL300030064783	1	42	-2.0	-86.73	380.59	-2.52	-89.25
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300030064950	1	45	-2.0	-103.59	393.00	-1.93	-105.52
COC1=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)NC(=O)[N-]C1=O	REAL300030065064	1	43	-2.0	-92.09	375.78	-4.86	-96.95
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300030065185	0	38	-2.0	-90.80	341.97	-6.16	-96.96
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1C(=O)[N-]NC1=O	REAL300030065306	0	40	-2.0	-91.72	356.09	-4.49	-96.21
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300030066195	0	40	-2.0	-104.46	353.99	-0.05	-104.51
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300030066364	0	40	-2.0	-87.13	353.62	-4.95	-92.08
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=COC(=O)[N-]1	REAL300030066377	1	36	-2.0	-90.39	325.63	-5.09	-95.48
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1[N-]C(=O)C(F)(F)C(F)(F)F	REAL300030066501	0	35	-2.0	-93.56	329.08	-1.82	-95.38
CCN1[N-]C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)=CC1=O	REAL300030066611	0	43	-2.0	-95.82	375.89	-1.48	-97.30
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=CC(=O)N[N-]1	REAL300030066619	1	40	-2.0	-96.67	352.08	-3.52	-100.19
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC(=S)N1[O-]	REAL300030066643	0	40	-2.0	-117.18	362.56	1.98	-115.20
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1SC(=O)[N-]C1=O	REAL300030066658	0	40	-2.0	-85.30	364.21	-4.94	-90.24
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300030066677	0	39	-2.0	-94.04	347.68	-3.88	-97.92
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300030066799	0	38	-2.0	-89.38	335.57	-1.97	-91.35
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300030066839	0	42	-2.0	-100.19	370.55	-1.55	-101.74
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=C(C)[N-]N(C)C1=O	REAL300030066851	0	46	-2.0	-98.10	393.93	-1.04	-99.14
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300030066940	0	37	-2.0	-87.80	330.47	-4.11	-91.91
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300030066945	0	42	-2.0	-86.24	364.64	-2.61	-88.85
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=CC(=O)N(C)[N-]1	REAL300030066948	0	43	-2.0	-95.98	373.92	-1.74	-97.72
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1=NC(=O)[N-]N1	REAL300030066986	1	42	-2.0	-98.44	366.39	-4.43	-102.87
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CN([O-])C1=O	REAL300030066994	0	40	-2.0	-105.11	350.77	0.14	-104.97
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN=C(SC)[N-]C1=O	REAL300030067015	1	42	-2.0	-91.95	376.93	-2.05	-94.00
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NC([O-])=C(C)S1	REAL300030067040	1	39	-2.0	-103.97	357.93	-4.01	-107.98
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300030067061	1	39	-2.0	-84.58	360.62	-0.80	-85.38
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300030067083	0	40	-2.0	-102.37	353.43	-0.03	-102.40
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300030067143	0	40	-2.0	-115.71	351.45	0.94	-114.77
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N-]C(=O)C(F)(F)F	REAL300030067315	0	39	-2.0	-90.46	361.52	-4.24	-94.70
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=C([O-])N=C(N)S1	REAL300030067316	0	41	-2.0	-105.16	372.72	-5.08	-110.24
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=NC([O-])=CS1	REAL300030067379	0	39	-2.0	-102.52	356.93	-4.18	-106.70
CCC1=NC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)C(=O)[N-]1	REAL300030067405	1	44	-2.0	-91.03	375.69	-1.59	-92.62
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1N=CC(=O)[N-]C1=O	REAL300030067417	0	41	-2.0	-93.84	366.43	-5.60	-99.44
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C(Cl)C(=O)[N-]S1	REAL300030067499	0	36	-2.0	-92.85	348.90	-2.84	-95.69
COCC1=NC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)C(=O)N1	REAL300030067610	0	45	-2.0	-91.71	388.61	-3.35	-95.06
COCC1=NC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)C(=O)[N-]1	REAL300030067610	1	45	-2.0	-91.71	388.61	-3.35	-95.06
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=N[N-]C(C)=CC1=O	REAL300030067715	0	41	-2.0	-91.95	359.17	-0.30	-92.25
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NC(=O)N[N-]1	REAL300030067734	0	36	-2.0	-95.37	325.97	-5.42	-100.79
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300030067759	0	41	-2.0	-87.37	367.64	-1.07	-88.44
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030067759	1	41	-2.0	-87.37	367.64	-1.07	-88.44
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN=C(C=N[O-])S1	REAL300030067900	0	39	-2.0	-101.40	366.74	-2.54	-103.94
COC1=NC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2OC)=CC(=O)[N-]1	REAL300030067920	0	42	-2.0	-91.03	371.17	-6.06	-97.09
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300030068144	0	40	-2.0	-95.31	354.18	-2.43	-97.74
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300030068156	0	40	-2.0	-90.95	367.40	-4.27	-95.22
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C(C)NC(=O)[N-]C1=S	REAL300030068157	1	42	-2.0	-97.22	382.60	-2.93	-100.15
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1[N-]C(=O)C(F)(F)C(F)F	REAL300030068294	1	35	-2.0	-94.72	325.01	-1.95	-96.67
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300030068376	0	38	-2.0	-92.25	343.58	-7.13	-99.38
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300030068376	1	38	-2.0	-90.97	345.16	-6.44	-97.41
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300030068449	0	42	-2.0	-92.34	377.34	-7.95	-100.29
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300030068449	1	42	-2.0	-89.90	378.18	-7.94	-97.84
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300030068592	0	42	-2.0	-93.63	372.20	-3.50	-97.13
CO[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030068849	1	39	-2.0	-104.70	342.07	-0.04	-104.74
CO[C@@H]1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030068972	1	45	-2.0	-95.10	395.03	-1.76	-96.86
CO[C@@H]1CN(C(=O)C2=CSC([N-]C(C)=O)=N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030068984	1	42	-2.0	-85.09	380.27	-1.91	-87.00
CO[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069018	0	38	-2.0	-99.99	342.28	-5.91	-105.90
COC1=C(C(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030069073	1	43	-2.0	-92.40	375.82	-4.65	-97.05
CO[C@@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030069250	0	40	-2.0	-97.85	359.07	-4.41	-102.26
CO[C@@H]1CN(C(=O)CCCN2C(=O)[N-]NC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070277	0	46	-2.0	-99.91	402.45	-3.18	-103.09
CO[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030070495	1	45	-2.0	-111.56	396.35	-1.20	-112.76
CO[C@@H]1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071385	0	44	-2.0	-93.22	389.29	-5.92	-99.14
CO[C@@H]1CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071395	0	42	-2.0	-99.44	371.15	0.84	-98.60
CO[C@@H]1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071409	1	40	-2.0	-110.30	365.04	0.73	-109.57
CO[C@@H]1CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071441	1	41	-2.0	-87.76	367.70	-0.51	-88.27
CO[C@@H]1CN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071468	0	42	-2.0	-102.18	375.67	-1.04	-103.22
CO[C@@H]1CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071532	0	42	-2.0	-121.32	374.51	1.61	-119.71
CCC1=NC=C(C(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030071565	1	44	-2.0	-94.34	385.29	-1.83	-96.17
CO[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071590	1	36	-2.0	-92.23	326.16	-4.09	-96.32
CO[C@@H]1CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071672	0	42	-2.0	-118.52	377.98	0.19	-118.33
CO[C@@H]1CN(C(=O)C[N-]C(=O)C(F)(F)F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071690	0	39	-2.0	-93.71	364.42	-4.11	-97.82
CO[C@@H]1CN(C(=O)CC2=C([O-])N=C(N)S2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071691	0	41	-2.0	-113.79	374.77	-4.92	-118.71
CO[C@@H]1CN(C(=O)C2=C(F)C=C([O-])C=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071702	0	40	-2.0	-91.82	367.51	-0.50	-92.32
CO[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071725	1	40	-2.0	-99.01	355.12	-0.74	-99.75
CO[C@@H]1CN(C(=O)C2=CC([O-])=CC(=O)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071734	0	39	-2.0	-92.55	351.02	-1.40	-93.95
CO[C@@H]1CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071745	1	41	-2.0	-91.96	365.35	-0.53	-92.49
CO[C@@H]1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071749	0	39	-2.0	-105.51	360.15	-1.24	-106.75
CO[C@@H]1CN(C(=O)C2=C(N)[N-]C(=O)C(C#N)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071756	0	42	-2.0	-95.13	382.83	-3.52	-98.65
CO[C@@H]1CN(C(=O)CN2N=CC(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071773	0	41	-2.0	-103.49	369.43	-5.54	-109.03
CO[C@@H]1CN(C(=O)C2=NC(C)=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071863	1	42	-2.0	-104.90	363.70	0.54	-104.36
CO[C@@H]1CN(C(=O)CCC2=NC(=O)[N-]N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071866	1	42	-2.0	-98.31	369.32	-4.28	-102.59
CO[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071889	0	38	-2.0	-98.33	344.63	-2.17	-100.50
CO[C@@H]1CN(C(=O)C2=CC=CC(F)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030071903	0	40	-2.0	-119.68	354.73	0.12	-119.56
CO[C@@H]1CN(C(=O)C2=CC=CC([O-])=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072030	1	40	-2.0	-114.39	354.98	-0.76	-115.15
CO[C@@H]1CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072111	0	42	-2.0	-93.41	371.18	0.84	-92.57
CO[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072177	0	37	-2.0	-88.78	330.21	-3.75	-92.53
CO[C@@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072185	0	42	-2.0	-87.86	364.73	-2.50	-90.36
COCC1=NC=C(C(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030072253	0	45	-2.0	-95.10	398.22	-3.59	-98.69
COCC1=NC=C(C(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030072253	1	45	-2.0	-95.10	398.22	-3.59	-98.69
CO[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072314	0	40	-2.0	-102.14	361.64	-0.03	-102.17
CO[C@@H]1CN(C(=O)C2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072349	0	36	-2.0	-97.48	325.68	-5.31	-102.79
CO[C@@H]1CN(C(=O)C2=C(O)C=CC=C2Cl)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072354	0	40	-2.0	-98.50	370.46	-0.13	-98.63
CO[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2Cl)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072354	1	40	-2.0	-98.50	370.46	-0.13	-98.63
CO[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072362	0	40	-2.0	-106.71	360.51	-0.04	-106.75
CO[C@@H]1CN(C(=O)C2=C(F)C=CC(O)=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072400	0	40	-2.0	-104.86	367.35	-0.54	-105.40
CO[C@@H]1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072400	1	40	-2.0	-104.86	367.35	-0.54	-105.40
CO[C@@H]1CN(C(=O)C2=CC(F)=CC=C2O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072600	0	40	-2.0	-109.31	354.72	0.30	-109.01
CO[C@@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072600	1	40	-2.0	-109.31	354.72	0.30	-109.01
CO[C@@H]1CN(C(=O)C2=NC=CC(C)=C2O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072694	0	42	-2.0	-109.11	362.98	0.55	-108.56
CO[C@@H]1CN(C(=O)C2=NC=CC(C)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072694	1	42	-2.0	-109.11	362.98	0.55	-108.56
CO[C@@H]1CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072753	0	40	-2.0	-99.83	369.48	1.05	-98.78
CO[C@@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072874	1	39	-2.0	-92.90	341.89	-2.73	-95.63
CO[C@@H]1CN(C(=O)C2=CC=CC(=S)N2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030072887	0	40	-2.0	-135.55	371.81	0.38	-135.17
CO[C@@H]1CN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073048	1	42	-2.0	-97.11	375.55	-2.38	-99.49
CO[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073053	0	39	-2.0	-85.04	360.40	-1.22	-86.26
CO[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2Cl)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073118	1	40	-2.0	-97.13	363.85	-0.31	-97.44
CO[C@@H]1CN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073121	0	43	-2.0	-96.36	380.89	-1.24	-97.60
CO[C@@H]1CN(C(=O)CC2=NC([O-])=CS2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073133	0	39	-2.0	-118.72	360.77	-4.05	-122.77
CO[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073155	0	40	-2.0	-110.37	360.97	-0.51	-110.88
CO[C@@H]1CN(C(=O)CN2[N-]C(=O)C=CC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073158	0	42	-2.0	-101.93	376.08	-3.42	-105.35
CO[C@@H]1CN(C(=O)C2=CC=C(F)C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073160	0	40	-2.0	-112.91	354.89	0.16	-112.75
CO[C@@H]1CN(C(=O)C2=C(C)C=CC(F)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073208	0	43	-2.0	-100.84	380.42	0.05	-100.79
CO[C@@H]1CN(C(=O)CC2SC(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073298	0	40	-2.0	-95.45	368.30	-4.83	-100.28
CO[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073331	0	40	-2.0	-91.84	359.82	-0.69	-92.53
CO[C@@H]1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073334	1	41	-2.0	-83.20	368.75	-2.22	-85.42
CO[C@@H]1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073340	0	40	-2.0	-113.68	364.53	0.61	-113.07
CO[C@@H]1CN(C(=O)C2=N[N-]C(C)=CC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073376	0	41	-2.0	-99.92	359.44	-0.06	-99.98
CO[C@@H]1CN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073382	0	45	-2.0	-114.35	391.88	-0.37	-114.72
CO[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073414	0	40	-2.0	-130.83	360.71	-0.25	-131.08
CO[C@@H]1CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073460	0	40	-2.0	-105.81	370.66	-2.34	-108.15
CO[C@@H]1CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073461	0	42	-2.0	-97.28	381.19	-7.79	-105.07
CO[C@@H]1CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073461	1	42	-2.0	-93.54	381.09	-7.75	-101.29
CO[C@@H]1CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073491	0	42	-2.0	-93.28	375.13	0.74	-92.54
CO[C@@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073535	0	39	-2.0	-100.69	348.51	-3.66	-104.35
CO[C@@H]1CN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073570	0	42	-2.0	-91.00	377.03	-2.98	-93.98
CO[C@@H]1CN(C(=O)C2=C(F)C=CC(O)=C2O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073613	0	41	-2.0	-111.97	371.72	-2.45	-114.42
CO[C@@H]1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073613	1	41	-2.0	-111.97	371.72	-2.45	-114.42
CO[C@@H]1CN(C(=O)C2=CC(C#N)=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073624	0	41	-2.0	-105.81	369.16	0.66	-105.15
CO[C@@H]1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073756	0	40	-2.0	-92.61	365.65	-2.64	-95.25
CO[C@@H]1CN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073793	0	40	-2.0	-93.16	369.67	1.04	-92.12
CO[C@@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073825	1	40	-2.0	-98.80	352.85	-0.82	-99.62
CO[C@@H]1CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073834	1	45	-2.0	-110.80	388.06	0.98	-109.82
CO[C@@H]1CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073837	0	42	-2.0	-109.87	376.63	0.77	-109.10
CO[C@@H]1CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073840	0	42	-2.0	-100.48	376.47	0.91	-99.57
CO[C@@H]1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073853	1	40	-2.0	-112.70	365.20	0.61	-112.09
CO[C@@H]1CN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073874	0	42	-2.0	-86.47	375.04	-0.23	-86.70
CO[C@@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073957	0	38	-2.0	-89.71	344.38	-5.56	-95.27
CO[C@@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073957	1	38	-2.0	-89.71	344.38	-5.56	-95.27
CO[C@@H]1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030073991	0	42	-2.0	-94.62	368.91	-1.84	-96.46
CO[C@@H]1CN(C(=O)C2=C(O)C3=CC=CC=C3C=N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074034	0	45	-2.0	-109.47	387.31	2.29	-107.18
CO[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074034	1	45	-2.0	-109.47	387.31	2.29	-107.18
CO[C@@H]1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074035	0	36	-2.0	-94.87	346.20	-2.98	-97.85
CO[C@@H]1CN(C(=O)C2=CN=C(N)NC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074059	0	40	-2.0	-94.79	358.65	-3.49	-98.28
CO[C@@H]1CN(C(=O)C2=CN=C(N)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074059	1	40	-2.0	-94.79	358.65	-3.49	-98.28
CO[C@@H]1CN(C(=O)C2=C(C)C=C(C#N)C(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074091	0	43	-2.0	-84.72	379.81	-0.46	-85.18
CO[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074172	0	40	-2.0	-89.44	369.02	-0.23	-89.67
CO[C@@H]1CN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074178	0	41	-2.0	-95.46	375.96	-1.09	-96.55
CO[C@@H]1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074178	1	41	-2.0	-95.46	375.96	-1.09	-96.55
CO[C@@H]1CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074187	0	42	-2.0	-91.44	375.20	-2.09	-93.53
CO[C@@H]1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074200	0	39	-2.0	-105.12	358.85	0.38	-104.74
CO[C@@H]1CN(C(=O)CC2=CC=C(O)C(Cl)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074206	0	43	-2.0	-105.97	391.92	0.77	-105.20
CO[C@@H]1CN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074206	1	43	-2.0	-105.97	391.92	0.77	-105.20
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074268	0	36	-2.0	-91.69	325.20	-3.61	-95.30
CO[C@@H]1CN(C(=O)C2=NC(=O)C(C)S2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074303	0	39	-2.0	-97.73	357.92	-3.24	-100.97
CO[C@@H]1CN(C(=O)C2=NC([O-])=C(C)S2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074303	1	39	-2.0	-97.73	357.92	-3.24	-100.97
CO[C@@H]1CN(C(=O)C2=C(O)C=CC3=CC=CC=C32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074354	0	46	-2.0	-118.49	399.92	1.64	-116.85
CO[C@@H]1CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074354	1	46	-2.0	-118.49	399.92	1.64	-116.85
CO[C@@H]1CN(C(=O)C2=C(O)C3=CC=CC=C3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074374	0	46	-2.0	-119.58	393.60	2.45	-117.13
CO[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074374	1	46	-2.0	-119.58	393.60	2.45	-117.13
CO[C@@H]1CN(C(=O)C2=CC3=CC=CC=C3C=C2O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074382	0	46	-2.0	-123.08	394.67	2.38	-120.70
CO[C@@H]1CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074382	1	46	-2.0	-123.08	394.67	2.38	-120.70
CO[C@@H]1CN(C(=O)C(=O)C2=CC=C(O)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074434	0	42	-2.0	-90.53	367.95	-0.60	-91.13
CO[C@@H]1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074434	1	42	-2.0	-90.53	367.95	-0.60	-91.13
CO[C@@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074471	0	39	-2.0	-101.36	363.87	-2.66	-104.02
CO[C@@H]1CN(C(=O)C2=CC(=O)C=C(Cl)N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074506	0	39	-2.0	-90.94	360.64	-0.32	-91.26
CO[C@@H]1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074506	1	39	-2.0	-90.94	360.64	-0.32	-91.26
CO[C@@H]1CN(C(=O)C2=CN=C(SC)NC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074532	0	42	-2.0	-94.79	386.60	-2.32	-97.11
CO[C@@H]1CN(C(=O)C2=CN=C(SC)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074532	1	42	-2.0	-94.79	386.60	-2.32	-97.11
CO[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074540	0	40	-2.0	-87.69	361.30	-4.94	-92.63
CCN1[N-]C(C(=O)N2C[C@@H](OC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030074621	0	43	-2.0	-92.37	374.75	-1.11	-93.48
CO[C@@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074643	0	40	-2.0	-91.47	352.95	-2.04	-93.51
CO[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074660	0	40	-2.0	-96.67	371.27	-4.11	-100.78
CO[C@@H]1CN(C(=O)C2=C(C)NC(=O)NC2=S)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074662	0	42	-2.0	-121.12	382.20	-2.92	-124.04
CO[C@@H]1CN(C(=O)C2=C(C)NC(=O)[N-]C2=S)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074662	1	42	-2.0	-121.12	382.20	-2.92	-124.04
CO[C@@H]1CN(C(=O)C2=C(O)C=NC3=CC=CC=C32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074733	0	45	-2.0	-105.23	394.09	-0.24	-105.47
CO[C@@H]1CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074733	1	45	-2.0	-105.23	394.09	-0.24	-105.47
CO[C@@H]1CN(C(=O)CC2=CC(=O)NN2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074839	0	40	-2.0	-99.49	354.07	-3.34	-102.83
CO[C@@H]1CN(C(=O)CC2=CC(=O)N[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074839	1	40	-2.0	-99.49	354.07	-3.34	-102.83
CO[C@@H]1CN(C(=O)C2=CC=C(O)C(F)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074845	0	40	-2.0	-92.73	352.82	-0.77	-93.50
CO[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074845	1	40	-2.0	-92.73	352.82	-0.77	-93.50
CO[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074907	0	40	-2.0	-97.34	357.44	-0.81	-98.15
CO[C@@H]1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074913	0	39	-2.0	-111.19	359.47	-1.19	-112.38
CO[C@@H]1CN(C(=O)CC2=C(C)[N-]N(C)C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074934	0	46	-2.0	-101.85	397.74	-0.92	-102.77
CO[C@@H]1CN(C(=O)C2=NC=C(C)C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074984	1	42	-2.0	-106.21	363.51	0.59	-105.62
CO[C@@H]1CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030074999	0	41	-2.0	-98.16	381.43	-2.80	-100.96
CO[C@@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030075020	0	37	-2.0	-98.27	337.64	-1.81	-100.08
CO[C@@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030075042	0	40	-2.0	-109.76	361.10	-0.01	-109.77
CO[C@@H]1CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030075048	0	40	-2.0	-105.08	370.90	0.70	-104.38
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300030075100	0	40	-2.0	-88.88	356.03	-2.39	-91.27
CO[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030075135	1	41	-2.0	-82.37	367.05	-1.76	-84.13
O=C(N[C@H]1CCC[C@H]1N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COC(=O)[N-]1	REAL300030075541	1	47	-2.0	-100.50	378.45	-1.58	-102.08
O=C(N[C@H]1CCC[C@H]1N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N[N-]1	REAL300030075627	0	48	-2.0	-88.64	383.64	-0.59	-89.23
O=C(N[C@H]1CCC[C@H]1N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)N[N-]1	REAL300030075702	0	47	-2.0	-94.12	382.19	-2.42	-96.54
O=C(N[C@H]1CCC[C@H]1N1CCN(C(=O)C2=COC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030076151	1	47	-2.0	-88.62	378.65	-0.09	-88.71
O=C(N[C@H]1CCC[C@H]1N1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030076208	0	48	-2.0	-95.55	383.04	-0.22	-95.77
O=C(N[C@H]1CCC[C@H]1N1CCN(C(=O)C2=NC(=O)N[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030076221	0	47	-2.0	-89.15	382.15	-1.16	-90.31
O=C(N[C@H]1CCC[C@H]1N1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)[N-]O1	REAL300030076378	0	47	-2.0	-103.01	378.01	-0.12	-103.13
O=C(NCCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NNC(=O)[N-]C1=O	REAL300030077284	0	46	-2.0	-100.07	376.37	-2.55	-102.62
O=C(CN1C(=O)[N-]NC1=O)NCCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030077337	0	48	-2.0	-102.23	390.49	-0.89	-103.12
O=C(NCCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN([O-])C(=O)C=C1	REAL300030077738	0	48	-2.0	-111.01	387.45	3.58	-107.43
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C[PH](C)([O-])C(=O)C(=O)NC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCCC2	REAL300030082642	0	51	-2.0	-88.93	384.15	1.25	-87.68
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CN1[N-]C(C(=O)NC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCCC3)=CC1=O	REAL300030082880	0	49	-2.0	-90.18	381.38	1.53	-88.65
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CCN1[N-]C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)=CC1=O	REAL300030087455	0	43	-2.0	-96.43	372.15	0.82	-95.61
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C[PH](C)([O-])C(=O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030087769	0	42	-2.0	-98.99	366.17	-0.48	-99.47
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CSC1=NC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C(=O)[N-]1	REAL300030087831	1	42	-2.0	-101.69	374.05	0.22	-101.47
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COCC1=NC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)C(=O)[N-]1	REAL300030088391	1	45	-2.0	-101.70	385.74	-1.05	-102.75
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CC1=CC(=O)C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)=N[N-]1	REAL300030088491	0	41	-2.0	-99.12	356.29	1.97	-97.15
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CN1[N-]C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC23CC3)=CC1=O	REAL300030088885	0	40	-2.0	-95.41	350.42	-0.10	-95.51
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030088897	0	40	-2.0	-98.84	364.57	-1.99	-100.83
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1=NC(=O)[N-]C(=O)N1	REAL300030089094	0	38	-2.0	-90.68	340.73	-4.86	-95.54
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1=NC(=O)NC(=O)[N-]1	REAL300030089094	1	38	-2.0	-88.01	341.37	-4.09	-92.10
O=C(COC1=NC(=O)[N-]C(=O)N1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030089163	0	42	-2.0	-99.87	374.48	-5.67	-105.54
O=C(COC1=NC(=O)NC(=O)[N-]1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030089163	1	42	-2.0	-95.20	374.42	-5.62	-100.82
O=C(CN1[N-]C(=O)C=CC1=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2	REAL300030089303	0	42	-2.0	-105.75	369.37	-1.23	-106.98
O=C(NC1CN(C(=O)C2=NC=CC=C2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030089559	1	39	-2.0	-104.04	339.33	2.25	-101.79
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030089686	1	45	-2.0	-96.64	392.43	0.53	-96.11
CC(=O)[N-]C1=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=CS1	REAL300030089704	1	42	-2.0	-90.21	377.46	0.36	-89.85
O=C(NC1CN(C(=O)C2=NNC(=O)[N-]C2=O)CC12CC2)C1=CC(=O)[N-]O1	REAL300030089740	0	38	-2.0	-91.15	338.86	-3.55	-94.70
COC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)NC(=O)[N-]C1=O	REAL300030089802	1	43	-2.0	-96.42	374.05	-2.61	-99.03
O=C(CN1C(=O)[N-]NC1=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030090002	0	40	-2.0	-99.13	359.00	-2.42	-101.55
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030090069	0	44	-2.0	-96.18	392.50	0.48	-95.70
O=C(NC1CN(C(=O)C2=N[N-]C3=CC=CC=C3C2=O)CC12CC2)C1=CC(=O)[N-]O1	REAL300030090602	0	44	-2.0	-101.98	380.84	3.87	-98.11
O=C(CCCN1C(=O)[N-]NC1=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030091182	0	46	-2.0	-94.20	401.51	-1.20	-95.40
O=C(NC1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC12CC2)C1=CC(=O)[N-]O1	REAL300030091429	1	45	-2.0	-105.52	396.13	0.81	-104.71
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092461	0	44	-2.0	-89.07	386.69	-3.61	-92.68
O=C(NC1CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030092471	0	42	-2.0	-97.44	372.71	2.93	-94.51
O=C(NC1CN(C(=O)C2=CC(Cl)=CC=C2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030092487	1	40	-2.0	-100.16	361.55	3.21	-96.95
N#CC1=CC([O-])=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=C1	REAL300030092524	1	41	-2.0	-92.22	365.91	1.44	-90.78
NC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C([O-])=C1Cl	REAL300030092559	0	42	-2.0	-99.91	373.28	1.29	-98.62
O=C(NC1CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030092628	0	42	-2.0	-101.11	370.65	4.18	-96.93
CCC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C(=O)[N-]1	REAL300030092665	1	44	-2.0	-96.35	381.60	0.40	-95.95
O=C(NC1CN(C(=O)C2=COC(=O)[N-]2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030092692	1	36	-2.0	-95.08	322.47	-1.59	-96.67
O=C(NC1CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030092782	0	42	-2.0	-106.47	373.98	2.84	-103.63
O=C(C[N-]C(=O)C(F)(F)F)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092801	0	39	-2.0	-88.15	360.92	-1.82	-89.97
NC1=NC([O-])=C(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)S1	REAL300030092802	0	41	-2.0	-111.54	375.45	-2.89	-114.43
O=C(NC1CN(C(=O)C2=C(F)C=C([O-])C=C2F)CC12CC2)C1=CC(=O)[N-]O1	REAL300030092813	0	40	-2.0	-93.20	366.97	1.49	-91.71
O=C(NC1CN(C(=O)C2=CC=C([O-])C=C2F)CC12CC2)C1=CC(=O)[N-]O1	REAL300030092837	1	40	-2.0	-92.00	351.27	1.55	-90.45
O=C(NC1CN(C(=O)C2=CC([O-])=C3SC=CC3=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030092845	1	43	-2.0	-91.34	381.77	2.77	-88.57
O=C(NC1CN(C(=O)C2=CC([O-])=CC(=O)O2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030092848	0	39	-2.0	-84.96	347.67	0.95	-84.01
N#CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C=C1[O-]	REAL300030092862	1	41	-2.0	-94.02	366.92	1.54	-92.48
O=C(NC1CN(C(=O)C2=CC(Cl)=NC=C2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030092868	0	39	-2.0	-95.15	356.61	1.37	-93.78
N#CC1=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=C(N)[N-]C1=O	REAL300030092875	0	42	-2.0	-91.01	378.74	-1.38	-92.39
O=C(CN1N=CC(=O)[N-]C1=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030092894	0	41	-2.0	-96.55	369.29	-3.53	-100.08
CC1=CC=C([O-])C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=N1	REAL300030092996	1	42	-2.0	-99.73	360.85	2.82	-96.91
O=C(NC1CN(C(=O)C2=C[N-]N=CC2=O)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093026	0	38	-2.0	-93.53	344.26	-0.16	-93.69
O=C(NC1CN(C(=O)C2=CC=CC(F)=C2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030093040	0	40	-2.0	-109.27	351.04	2.77	-106.50
O=C(NC1CN(C(=O)C2=CC=CC([O-])=C2F)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093186	1	40	-2.0	-103.58	351.29	1.52	-102.06
O=C(NC1CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093278	0	42	-2.0	-95.66	372.74	2.90	-92.76
O=C(NC1CN(C(=O)C2=CC(=O)N[N-]2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093351	0	37	-2.0	-91.52	330.85	-1.82	-93.34
C[PH](C)([O-])C(=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093359	0	42	-2.0	-93.28	369.14	-0.69	-93.97
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030093389	0	45	-2.0	-111.68	398.20	2.86	-108.82
O=C(NC1CN(C(=O)C2=CN=C(CC3CC3)NC2=O)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093412	0	48	-2.0	-96.37	412.51	2.01	-94.36
O=C(NC1CN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093412	1	48	-2.0	-96.37	412.51	2.01	-94.36
COCC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C(=O)N1	REAL300030093436	0	45	-2.0	-97.06	394.53	-1.36	-98.42
COCC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C(=O)[N-]1	REAL300030093436	1	45	-2.0	-97.06	394.53	-1.36	-98.42
O=C(NC1CN(C(=O)C2=CC(=O)N([O-])C=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093501	0	40	-2.0	-103.35	361.12	1.97	-101.38
O=C(NC1CN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093538	0	40	-2.0	-92.30	367.20	1.41	-90.89
O=C(NC1CN(C(=O)C2=NNC(=O)[N-]2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093540	0	36	-2.0	-92.72	322.02	-2.95	-95.67
O=C(NC1CN(C(=O)C2=C(O)C=CC=C2Cl)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093546	0	40	-2.0	-98.76	367.29	2.16	-96.60
O=C(NC1CN(C(=O)C2=C([O-])C=CC=C2Cl)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093546	1	40	-2.0	-98.76	367.29	2.16	-96.60
O=C(NC1CN(C(=O)C2=CC=CN([O-])C2=O)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093555	0	40	-2.0	-109.53	356.81	2.20	-107.33
O=C(NC1CN(C(=O)C2=C(F)C=CC(O)=C2F)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093598	0	40	-2.0	-96.50	364.19	1.78	-94.72
O=C(NC1CN(C(=O)C2=C(F)C=CC([O-])=C2F)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093598	1	40	-2.0	-96.50	364.19	1.78	-94.72
O=C(NC1CN(C(=O)C2=CC(F)=CC=C2O)CC12CC2)C1=CC(=O)[N-]O1	REAL300030093825	0	40	-2.0	-99.32	351.23	2.77	-96.55
O=C(NC1CN(C(=O)C2=CC(F)=CC=C2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030093825	1	40	-2.0	-99.32	351.23	2.77	-96.55
CC1=CC=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=C1[O-]	REAL300030093926	1	42	-2.0	-104.07	359.66	2.92	-101.15
O=C(NC1CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030093993	0	40	-2.0	-104.58	367.23	3.26	-101.32
O=C(NC1CN(C(=O)C2=CN=CC([O-])=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030094126	1	39	-2.0	-94.88	339.09	-0.38	-95.26
O=C(NC1CN(C(=O)C2=CC=CC(=S)N2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030094140	0	40	-2.0	-119.08	368.63	2.66	-116.42
O=C(NC1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)CC12CC2)C1=CC(=O)[N-]O1	REAL300030094298	1	48	-2.0	-105.07	411.98	1.37	-103.70
NC1=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=CC([O-])=C1Cl	REAL300030094316	1	42	-2.0	-98.44	373.75	-0.47	-98.91
O=C(NC1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030094321	0	39	-2.0	-81.95	357.64	1.07	-80.88
O=C(NC1CN(C(=O)C2=CC=C([O-])C=C2Cl)CC12CC2)C1=CC(=O)[N-]O1	REAL300030094398	1	40	-2.0	-91.49	359.96	1.99	-89.50
N#CC1=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=C([O-])C=C1N	REAL300030094401	0	43	-2.0	-95.28	378.50	1.10	-94.18
O=C(CC1=NC([O-])=CS1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094415	0	39	-2.0	-102.58	357.39	-1.75	-104.33
O=C(NC1CN(C(=O)C2=C([O-])C=CC=C2F)CC12CC2)C1=CC(=O)[N-]O1	REAL300030094440	0	40	-2.0	-99.47	357.80	1.79	-97.68
O=C(CN1[N-]C(=O)C=CC1=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094443	0	42	-2.0	-99.67	375.06	-1.42	-101.09
O=C(NC1CN(C(=O)C2=CC=C(F)C=C2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030094446	0	40	-2.0	-96.81	351.05	2.88	-93.93
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094501	0	43	-2.0	-105.17	377.27	2.36	-102.81
O=C(CC1SC(=O)[N-]C1=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094601	0	40	-2.0	-85.76	365.05	-2.52	-88.28
O=C(NC1CN(C(=O)C2=CC=C([O-])C(F)=C2F)CC12CC2)C1=CC(=O)[N-]O1	REAL300030094634	0	40	-2.0	-92.41	357.59	1.61	-90.80
O=C(NC1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CC12CC2)C1=CC(=O)[N-]O1	REAL300030094638	1	41	-2.0	-86.91	373.10	0.18	-86.73
O=C(NC1CN(C(=O)C2=CC=CC(Cl)=C2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030094644	0	40	-2.0	-103.83	360.85	3.23	-100.60
CC1=CC(=O)C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=N[N-]1	REAL300030094682	0	41	-2.0	-93.73	356.05	2.32	-91.41
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094688	0	45	-2.0	-108.34	390.78	1.65	-106.69
O=C(NC1CN(C(=O)C2=CC=CC(=O)N2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030094724	0	40	-2.0	-115.91	357.52	2.03	-113.88
O=C(NC1CN(C(=O)C2=CC=CC3=C2C(=O)N=C[N-]3)CC12CC2)C1=CC(=O)[N-]O1	REAL300030094738	1	44	-2.0	-111.69	382.38	2.67	-109.02
N#CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C(=O)[N-]1	REAL300030094772	0	40	-2.0	-90.34	360.11	-0.13	-90.47
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094773	0	42	-2.0	-93.45	377.69	-5.49	-98.94
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030094773	1	42	-2.0	-92.82	377.67	-5.43	-98.25
O=C(NC1CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030094804	0	42	-2.0	-89.29	373.23	3.12	-86.17
CN1N=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)[N-]C1=O	REAL300030094850	0	39	-2.0	-94.93	344.82	-1.25	-96.18
[N-]=[N+]=NC1=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=CC=C1[O-]	REAL300030094892	0	42	-2.0	-91.85	374.54	-1.05	-92.90
O=C(NC1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030094936	1	41	-2.0	-100.76	368.56	-0.13	-100.89
N#CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C([O-])=C1	REAL300030094937	0	41	-2.0	-94.31	365.46	3.21	-91.10
N#CC1=CC=C([O-])C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=C1	REAL300030094949	0	41	-2.0	-96.37	365.67	3.11	-93.26
O=C(NC1CN(C(=O)C2=CN([O-])C(=O)NC2=O)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095096	0	40	-2.0	-94.68	365.60	-0.63	-95.31
O=C(NC1CN(C(=O)C2=CC=C(F)C(O)=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095174	0	40	-2.0	-98.33	352.98	1.16	-97.17
O=C(NC1CN(C(=O)C2=CC=C(F)C([O-])=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095174	1	40	-2.0	-98.33	352.98	1.16	-97.17
O=C(NC1CN(C(=O)C2=C(O)C3=NC=CC=C3C=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095184	0	45	-2.0	-108.71	385.60	3.29	-105.42
O=C(NC1CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095184	1	45	-2.0	-108.71	385.60	3.29	-105.42
O=C(NC1CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030095188	0	42	-2.0	-93.17	372.80	3.48	-89.69
O=C(NC1CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030095191	0	42	-2.0	-91.41	373.00	3.36	-88.05
O=C(NC1CN(C(=O)C2=CC=C(Cl)C=C2O)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095205	0	40	-2.0	-96.88	361.37	3.33	-93.55
O=C(NC1CN(C(=O)C2=CC=C(Cl)C=C2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030095205	1	40	-2.0	-96.88	361.37	3.33	-93.55
O=C(NC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095320	0	38	-2.0	-97.19	340.38	-3.92	-101.11
O=C(NC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095320	1	38	-2.0	-89.08	341.00	-3.11	-92.19
O=C(NC1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095363	0	42	-2.0	-96.45	366.44	0.48	-95.97
O=C(NC1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095409	1	45	-2.0	-115.70	384.62	4.56	-111.14
O=C(NC1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095410	0	36	-2.0	-87.92	343.24	-0.80	-88.72
NC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C(=O)[N-]1	REAL300030095436	1	40	-2.0	-96.68	354.96	-1.25	-97.93
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)[N-]C(=O)C(C#N)=C1	REAL300030095473	0	43	-2.0	-83.89	377.11	1.81	-82.08
O=C(NC1CN(C(=O)C2=CC=C(F)C([O-])=C2F)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095500	0	40	-2.0	-102.77	357.54	1.59	-101.18
O=C(NC1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095564	0	40	-2.0	-91.72	367.22	1.69	-90.03
O=C(NC1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095573	1	41	-2.0	-91.39	372.77	1.22	-90.17
COC1=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=CC(=O)[N-]1	REAL300030095579	0	42	-2.0	-90.03	365.03	-2.98	-93.01
O=C(NC1CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095582	0	42	-2.0	-102.17	375.05	-0.10	-102.27
O=C(NC1CN(C(=O)C2=NC=CC(Cl)=C2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030095595	0	39	-2.0	-105.68	355.60	2.74	-102.94
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030095601	1	43	-2.0	-99.12	390.97	2.76	-96.36
O=C(NC1CN(C(=O)C2=CC=C(Cl)C([O-])=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095647	0	40	-2.0	-94.69	362.78	1.64	-93.05
O=C(NC1CN(C(=O)C2=CC=NC=C2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030095658	0	39	-2.0	-95.81	343.25	0.22	-95.59
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095668	0	36	-2.0	-94.96	322.32	-1.34	-96.30
CC1=C([O-])N=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)S1	REAL300030095712	1	39	-2.0	-103.58	354.31	-0.81	-104.39
O=C(NC1CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095771	1	46	-2.0	-104.97	396.76	3.96	-101.01
O=C(NC1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095791	1	46	-2.0	-103.42	389.67	5.14	-98.28
O=C(NC1CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030095799	1	46	-2.0	-104.94	390.79	5.08	-99.86
O=C(NC1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095855	1	42	-2.0	-89.43	365.15	1.72	-87.71
O=C(NC1CN(C(=O)C2=CN=C(C=N[O-])S2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095894	0	39	-2.0	-100.65	360.99	-0.53	-101.18
O=C(NC1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095932	1	39	-2.0	-83.30	357.31	2.08	-81.22
CSC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C(=O)[N-]1	REAL300030095958	1	42	-2.0	-97.09	382.90	-0.08	-97.17
O=C(NC1CN(C(=O)C2=CC(=O)NC([O-])=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030095967	0	40	-2.0	-89.42	358.52	-2.65	-92.07
CCN1[N-]C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=CC1=O	REAL300030096055	0	43	-2.0	-92.31	371.90	1.17	-91.14
CN1[N-]C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)=CC1=O	REAL300030096079	0	40	-2.0	-91.75	350.09	0.24	-91.51
O=C(NC1CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)CC12CC2)C1=CC(=O)[N-]O1	REAL300030096094	1	43	-2.0	-100.01	376.46	-0.11	-100.12
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030096099	0	40	-2.0	-90.71	367.78	-1.81	-92.52
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C(=S)[N-]C(=O)N1	REAL300030096101	1	42	-2.0	-105.52	381.51	-0.58	-106.10
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300030096112	1	48	-2.0	-107.85	413.76	1.19	-106.66
O=C(NC1CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)CC12CC2)C1=CC(=O)[N-]O1	REAL300030096177	1	45	-2.0	-100.18	391.39	2.05	-98.13
O=C(CC1=CC(=O)N[N-]1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1	REAL300030096297	1	40	-2.0	-97.77	353.95	-1.34	-99.11
O=C(NC1CN(C(=O)C2=CC=C([O-])C(F)=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030096304	1	40	-2.0	-97.28	352.94	1.20	-96.08
O=C(NC1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030096372	0	40	-2.0	-94.28	356.58	1.59	-92.69
O=C(NC1CN(C(=O)C2=CC=NC(Cl)=C2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030096378	0	39	-2.0	-100.06	355.92	1.40	-98.66
CC1=C(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C(=O)N(C)[N-]1	REAL300030096400	0	46	-2.0	-96.53	394.34	1.36	-95.17
O=C(CCC(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2(CC2)C1)C1=CC=C([O-])C=C1	REAL300030096413	1	48	-2.0	-91.72	417.20	2.92	-88.80
CC1=CN=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3(CC3)C2)C([O-])=C1	REAL300030096454	1	42	-2.0	-105.45	360.80	2.89	-102.56
O=C(NC1CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030096471	0	41	-2.0	-97.11	378.26	-0.51	-97.62
O=C(NC1CN(C(=O)C2=CC([O-])=CS2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030096496	0	37	-2.0	-97.01	335.20	0.32	-96.69
O=C(NC1CN(C(=O)C2=CN([O-])C(=O)C=C2)CC12CC2)C1=CC(=O)[N-]O1	REAL300030096522	0	40	-2.0	-101.17	360.91	1.97	-99.20
O=C(NC1CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])CC12CC2)C1=CC(=O)[N-]O1	REAL300030096528	0	40	-2.0	-92.01	370.64	2.85	-89.16
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1=CN([O-])C(=O)NC1=O	REAL300030096579	0	40	-2.0	-92.05	353.14	-0.10	-92.15
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC12CC2)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030096610	1	41	-2.0	-84.01	367.64	0.23	-83.78
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300030097516	0	44	-2.0	-95.34	363.76	-1.66	-97.00
O=C(CN1C(=O)[N-]NC1=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030097577	0	46	-2.0	-110.21	381.49	-0.26	-110.47
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300030098005	0	46	-2.0	-104.38	380.86	4.08	-100.30
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300030098093	0	46	-2.0	-90.65	382.15	-0.79	-91.44
O=C(C1=COC(=O)[N-]1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098104	1	42	-2.0	-94.13	347.67	0.08	-94.05
CCN1[N-]C(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030098228	0	49	-2.0	-93.45	395.37	2.94	-90.51
O=C(CC1=CC(=O)N[N-]1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098235	1	46	-2.0	-111.87	376.40	0.89	-110.98
CN1N=C(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030098262	0	45	-2.0	-97.80	369.94	0.56	-97.24
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300030098325	0	44	-2.0	-98.08	365.49	1.95	-96.13
O=C(C1=CC(=O)N[N-]1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098396	0	43	-2.0	-90.30	350.83	0.29	-90.01
C[PH](C)([O-])C(=O)C(=O)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098401	0	48	-2.0	-100.45	385.66	1.43	-99.02
O=C(CCC1=NC(=O)NN1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098423	0	48	-2.0	-104.89	391.74	-0.15	-105.04
O=C(CCC1=NC(=O)[N-]N1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098423	1	48	-2.0	-104.89	391.74	-0.15	-105.04
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300030098426	0	46	-2.0	-119.71	381.68	4.07	-115.64
CC1SC(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300030098447	0	45	-2.0	-100.28	378.35	0.99	-99.29
CC1=C([O-])N=C(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030098447	1	45	-2.0	-100.28	378.35	0.99	-99.29
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300030098465	0	46	-2.0	-102.33	381.86	4.20	-98.13
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300030098490	0	46	-2.0	-108.43	381.03	3.99	-104.44
O=C(CC1=NC([O-])=CS1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030098609	0	45	-2.0	-123.92	382.36	0.10	-123.82
CC1=CC(=O)C(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030098779	0	47	-2.0	-94.64	379.30	4.10	-90.54
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300030098790	0	42	-2.0	-93.30	347.29	-0.45	-93.75
CN1[N-]C(C(=O)N2CCC(C3CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030098991	0	46	-2.0	-92.72	373.64	2.00	-90.72
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300030099097	0	44	-2.0	-94.40	365.90	-1.41	-95.81
O=C(C1=CC(=O)[N-]O1)N1CCCC1C1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300030099097	1	44	-2.0	-94.40	365.90	-1.41	-95.81
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=NC=CC=C2O)C1	REAL300030099452	0	45	-2.0	-106.95	363.41	4.10	-102.85
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=NC=CC=C2[O-])C1	REAL300030099452	1	45	-2.0	-106.95	363.41	4.10	-102.85
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300030099549	0	44	-2.0	-96.34	362.05	-1.94	-98.28
O=C(CN1C(=O)[N-]NC1=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030099645	0	46	-2.0	-114.02	379.09	-0.38	-114.40
N#CC1=CC([O-])=CC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030100432	1	47	-2.0	-97.00	384.07	3.30	-93.70
O=C(C1=COC(=O)[N-]1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100490	1	42	-2.0	-88.26	345.78	0.21	-88.05
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC=C([O-])C=C2F)C1	REAL300030100560	1	46	-2.0	-93.11	374.60	3.30	-89.81
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300030100565	0	45	-2.0	-91.63	372.92	2.75	-88.88
N#CC1=CC=C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300030100567	1	47	-2.0	-98.37	386.94	3.64	-94.73
CC1=CC=C([O-])C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030100618	1	48	-2.0	-104.93	384.14	4.40	-100.53
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=C[N-]N=CC2=O)C1	REAL300030100630	0	44	-2.0	-84.05	341.38	1.37	-82.68
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300030100635	0	46	-2.0	-111.53	370.32	4.69	-106.84
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC=CC([O-])=C2F)C1	REAL300030100696	1	46	-2.0	-111.17	370.25	3.33	-107.84
O=C(C1=CC(=O)N[N-]1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100759	0	43	-2.0	-92.19	352.62	0.34	-91.85
C[PH](C)([O-])C(=O)C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030100764	0	48	-2.0	-97.93	390.87	1.55	-96.38
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300030100816	0	46	-2.0	-106.35	373.16	3.78	-102.57
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=NC(=O)N[N-]2)C1	REAL300030100833	0	42	-2.0	-89.09	345.43	-0.42	-89.51
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC=CN([O-])C2=O)C1	REAL300030100837	0	46	-2.0	-107.34	367.83	3.28	-104.06
NC1=CC(=O)[N-]C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030100910	0	46	-2.0	-107.23	376.65	0.03	-107.20
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300030100939	1	46	-2.0	-103.18	367.48	4.62	-98.56
CC1=CC=NC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300030100983	1	48	-2.0	-103.48	382.88	4.51	-98.97
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CN=CC([O-])=C2)C1	REAL300030101046	1	45	-2.0	-96.44	361.85	1.36	-95.08
O=C(CC1=NC([O-])=CS1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101137	0	45	-2.0	-111.43	381.60	0.14	-111.29
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300030101148	0	46	-2.0	-101.52	374.39	4.44	-97.08
CC1=CC(=O)C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030101239	0	47	-2.0	-97.23	381.29	4.11	-93.12
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300030101252	0	46	-2.0	-126.52	369.80	4.64	-121.88
N#CC1=CC=C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030101268	0	46	-2.0	-83.93	367.22	1.05	-82.88
CN1N=C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030101293	0	45	-2.0	-99.08	368.97	0.63	-98.45
N#CC1=CC=C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030101324	0	47	-2.0	-99.00	388.80	4.78	-94.22
N#CC1=CC=C([O-])C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030101329	0	47	-2.0	-98.75	385.84	4.90	-93.85
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300030101414	1	46	-2.0	-102.91	373.03	3.27	-99.64
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300030101461	0	44	-2.0	-86.33	364.52	-1.34	-87.67
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300030101461	1	44	-2.0	-86.33	364.52	-1.34	-87.67
NC1=NC=C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030101492	0	46	-2.0	-92.04	365.94	0.21	-91.83
NC1=NC=C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030101492	1	46	-2.0	-92.04	365.94	0.21	-91.83
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101576	0	42	-2.0	-94.13	345.65	0.49	-93.64
CC1SC(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300030101590	0	45	-2.0	-94.42	378.47	1.14	-93.28
CC1=C([O-])N=C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030101590	1	45	-2.0	-94.42	378.47	1.14	-93.28
O=C(C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C(O)C=C1	REAL300030101661	0	48	-2.0	-94.51	389.18	3.54	-90.97
O=C(C(=O)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C([O-])C=C1	REAL300030101661	1	48	-2.0	-94.51	389.18	3.54	-90.97
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300030101693	0	46	-2.0	-97.46	369.36	-1.41	-98.87
CCN1[N-]C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030101735	0	49	-2.0	-96.10	397.16	2.99	-93.11
CN1[N-]C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030101747	0	46	-2.0	-95.09	375.35	2.06	-93.03
O=C(CC1=CC(=O)NN1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101817	0	46	-2.0	-104.81	375.81	0.87	-103.94
O=C(CC1=CC(=O)N[N-]1)N1CCCC1C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030101817	1	46	-2.0	-104.81	375.81	0.87	-103.94
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC=C(O)C(F)=C2)C1	REAL300030101821	0	46	-2.0	-93.26	373.01	3.30	-89.96
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300030101821	1	46	-2.0	-93.26	373.01	3.30	-89.96
CC1=CN=C(C(=O)N2CCCC2C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030101879	1	48	-2.0	-108.51	384.89	4.76	-103.75
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CC([O-])=CS2)C1	REAL300030101891	0	43	-2.0	-104.57	360.09	2.13	-102.44
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCCN2C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300030101902	0	46	-2.0	-103.12	381.16	4.07	-99.05
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300030102437	1	47	-2.0	-92.62	393.14	1.33	-91.29
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCCN1C(=O)[N-]NC1=O	REAL300030103149	0	48	-2.0	-98.72	405.19	-1.00	-99.72
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCC1=NNC(=O)[N-]C1=O	REAL300030103388	0	46	-2.0	-95.95	392.97	-3.71	-99.66
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CSC([N-]C(C)=O)=N1	REAL300030103389	1	44	-2.0	-93.47	386.13	-0.25	-93.72
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300030103568	1	47	-2.0	-110.39	397.75	0.40	-109.99
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1	REAL300030103690	1	45	-2.0	-98.39	381.19	-2.61	-101.00
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NNC(=O)[N-]C1=O	REAL300030103817	0	40	-2.0	-96.50	347.91	-3.85	-100.35
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1C(=O)[N-]NC1=O	REAL300030103945	0	42	-2.0	-99.86	362.67	-2.21	-102.07
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN([O-])C(=O)C=C1	REAL300030104900	0	42	-2.0	-111.56	358.63	2.21	-109.35
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)NC([O-])=C1	REAL300030105084	0	42	-2.0	-90.20	360.23	-2.60	-92.80
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=COC(=O)[N-]1	REAL300030105097	1	38	-2.0	-90.89	332.20	-2.76	-93.65
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1[N-]C(=O)C(F)(F)C(F)(F)F	REAL300030105228	0	37	-2.0	-87.87	337.53	0.70	-87.17
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)N(CC)[N-]1	REAL300030105348	0	45	-2.0	-100.94	380.53	0.79	-100.15
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=CC(=O)N[N-]1	REAL300030105357	1	42	-2.0	-104.93	356.66	-1.22	-106.15
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC(=S)N1[O-]	REAL300030105382	0	42	-2.0	-131.54	367.23	4.26	-127.28
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1SC(=O)[N-]C1=O	REAL300030105398	0	42	-2.0	-89.55	370.14	-2.63	-92.18
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NN(C)C(=O)[N-]1	REAL300030105417	0	41	-2.0	-98.54	354.45	-1.58	-100.12
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C[N-]N=CC1=O	REAL300030105545	0	40	-2.0	-84.81	341.35	0.38	-84.43
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300030105585	0	44	-2.0	-106.63	376.18	0.79	-105.84
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)N[N-]1	REAL300030105692	0	39	-2.0	-97.00	336.00	-1.86	-98.86
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C(=O)[PH](C)(C)[O-]	REAL300030105697	0	44	-2.0	-95.04	370.83	-0.31	-95.35
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CN([O-])C1=O	REAL300030105748	0	42	-2.0	-102.46	357.30	2.45	-100.01
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN=C(SC)NC1=O	REAL300030105769	0	44	-2.0	-98.07	382.45	0.18	-97.89
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN=C(SC)[N-]C1=O	REAL300030105769	1	44	-2.0	-98.07	382.45	0.18	-97.89
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NC(=O)C(C)S1	REAL300030105795	0	41	-2.0	-102.52	362.41	-1.69	-104.21
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NC([O-])=C(C)S1	REAL300030105795	1	41	-2.0	-102.52	362.41	-1.69	-104.21
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)C=C(Cl)N1	REAL300030105818	0	41	-2.0	-88.97	367.13	1.50	-87.47
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300030105818	1	41	-2.0	-88.97	367.13	1.50	-87.47
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)N([O-])C=C1	REAL300030105843	0	42	-2.0	-110.93	359.03	2.24	-108.69
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC(=O)N1[O-]	REAL300030105908	0	42	-2.0	-128.84	356.12	3.21	-125.63
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C[N-]C(=O)C(F)(F)F	REAL300030106092	0	41	-2.0	-96.51	366.12	-1.97	-98.48
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=C([O-])N=C(N)S1	REAL300030106093	0	43	-2.0	-106.86	378.32	-2.74	-109.60
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CC1=NC([O-])=CS1	REAL300030106159	0	41	-2.0	-110.10	362.52	-1.94	-112.04
CCC1=NC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2CC)C(=O)[N-]1	REAL300030106186	1	46	-2.0	-97.41	381.21	0.67	-96.74
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1N=CC(=O)[N-]C1=O	REAL300030106199	0	43	-2.0	-101.40	372.02	-3.37	-104.77
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C(Cl)C(=O)[N-]S1	REAL300030106284	0	38	-2.0	-96.85	353.55	-0.55	-97.40
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN=C(COC)NC1=O	REAL300030106403	0	47	-2.0	-98.34	394.14	-1.09	-99.43
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN=C(COC)[N-]C1=O	REAL300030106403	1	47	-2.0	-98.34	394.14	-1.09	-99.43
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=N[N-]C(C)=CC1=O	REAL300030106510	0	43	-2.0	-96.53	365.12	2.01	-94.52
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NNC(=O)[N-]1	REAL300030106529	0	38	-2.0	-99.98	330.51	-3.29	-103.27
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300030106555	0	43	-2.0	-89.81	373.55	1.26	-88.55
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030106555	1	43	-2.0	-89.81	373.55	1.26	-88.55
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN=C(C=N[O-])S1	REAL300030106703	0	41	-2.0	-101.88	372.50	-0.18	-102.06
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)N(C)[N-]1	REAL300030106956	0	42	-2.0	-99.93	358.80	-0.14	-100.07
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300030106966	1	45	-2.0	-115.19	381.06	0.23	-114.96
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CSC1=NNC(=O)[N-]1	REAL300030106969	0	42	-2.0	-95.78	374.11	-1.94	-97.72
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=C(C)NC(=O)[N-]C1=S	REAL300030106970	1	44	-2.0	-118.13	386.87	-0.69	-118.82
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300030107199	0	40	-2.0	-92.76	349.49	-4.84	-97.60
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300030107199	1	40	-2.0	-92.81	349.39	-4.10	-96.91
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300030107278	0	44	-2.0	-96.22	383.32	-5.67	-101.89
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300030107278	1	44	-2.0	-94.00	382.45	-5.63	-99.63
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300030107431	0	44	-2.0	-107.60	377.79	-1.27	-108.87
CC[C@@H]1CN(C(=O)C2=NC=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030107688	1	41	-2.0	-104.78	347.26	2.24	-102.54
CC[C@@H]1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030107813	1	47	-2.0	-96.12	400.67	0.54	-95.58
CC[C@@H]1CN(C(=O)C2=CSC([N-]C(C)=O)=N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030107827	1	44	-2.0	-89.95	385.92	0.32	-89.63
CC[C@@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030107862	0	40	-2.0	-93.34	347.91	-3.56	-96.90
CC[C@@H]1CN(C(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030107919	1	45	-2.0	-98.33	381.47	-2.36	-100.69
CC[C@@H]1CN(C(=O)CN2C(=O)[N-]NC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030108106	0	42	-2.0	-94.91	364.95	-2.05	-96.96
CC[C@@H]1CN(C(=O)CCCN2C(=O)[N-]NC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109207	0	48	-2.0	-97.28	407.15	-0.93	-98.21
CC[C@@H]1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030109440	1	47	-2.0	-96.65	401.63	1.08	-95.57
CC[C@@H]1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110394	0	46	-2.0	-94.53	394.85	-3.65	-98.18
CC[C@@H]1CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110404	0	44	-2.0	-92.37	376.78	3.18	-89.19
CC[C@@H]1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110418	1	42	-2.0	-106.59	368.94	3.21	-103.38
CC[C@@H]1CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110452	1	43	-2.0	-97.37	373.30	1.77	-95.60
CC[C@@H]1CN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110484	0	44	-2.0	-111.30	380.29	1.20	-110.10
CC[C@@H]1CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110550	0	44	-2.0	-114.42	377.76	4.09	-110.33
CCC1=NC=C(C(=O)N2C[C@@H](CC)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030110584	1	46	-2.0	-108.98	390.92	0.47	-108.51
CC[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110609	1	38	-2.0	-96.68	330.95	-1.58	-98.26
CC[C@@H]1CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110697	0	44	-2.0	-113.97	380.93	2.75	-111.22
CC[C@@H]1CN(C(=O)C[N-]C(=O)C(F)(F)F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110715	0	41	-2.0	-89.14	369.71	-1.76	-90.90
CC[C@@H]1CN(C(=O)CC2=C([O-])N=C(N)S2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110716	0	43	-2.0	-106.74	380.30	-2.67	-109.41
CC[C@@H]1CN(C(=O)C2=C(F)C=C([O-])C=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110727	0	42	-2.0	-89.56	373.28	1.86	-87.70
CC[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110751	1	42	-2.0	-98.37	359.37	1.53	-96.84
CC[C@@H]1CN(C(=O)C2=CC([O-])=CC(=O)O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110760	0	41	-2.0	-95.72	356.07	0.95	-94.77
CC[C@@H]1CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110771	1	43	-2.0	-94.11	370.98	1.81	-92.30
CC[C@@H]1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110777	0	41	-2.0	-91.40	365.89	0.95	-90.45
CC[C@@H]1CN(C(=O)C2=C(N)[N-]C(=O)C(C#N)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110784	0	44	-2.0	-93.90	386.74	-1.44	-95.34
CC[C@@H]1CN(C(=O)CN2N=CC(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110803	0	43	-2.0	-94.80	375.91	-3.18	-97.98
CC[C@@H]1CN(C(=O)C2=NC(C)=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110896	1	44	-2.0	-102.14	369.94	2.80	-99.34
CC[C@@H]1CN(C(=O)C2=C[N-]N=CC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110924	0	40	-2.0	-89.05	350.22	0.14	-88.91
CC[C@@H]1CN(C(=O)C2=CC=CC(F)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030110938	0	42	-2.0	-100.10	360.41	2.48	-97.62
CC[C@@H]1CN(C(=O)C2=CC=CC([O-])=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111073	1	42	-2.0	-97.09	360.67	1.59	-95.50
CC[C@@H]1CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111160	0	44	-2.0	-94.83	376.82	3.16	-91.67
CC[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111230	0	39	-2.0	-94.19	335.86	-1.46	-95.65
CC[C@@H]1CN(C(=O)C(=O)[PH](C)(C)[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111238	0	44	-2.0	-91.66	370.70	-0.24	-91.90
CC[C@@H]1CN(C(=O)C(=O)C=C([O-])C2=CC=CC=N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111267	0	47	-2.0	-107.81	403.96	3.17	-104.64
CC[C@@H]1CN(C(=O)C2=CN=C(COC)NC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111308	0	47	-2.0	-108.70	403.85	-1.29	-109.99
CC[C@@H]1CN(C(=O)C2=CN=C(COC)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111308	1	47	-2.0	-108.70	403.85	-1.29	-109.99
CC[C@@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111371	0	42	-2.0	-107.70	367.28	2.31	-105.39
CC[C@@H]1CN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111405	0	42	-2.0	-102.97	371.73	1.64	-101.33
CC[C@@H]1CN(C(=O)C2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111407	0	38	-2.0	-93.53	330.69	-2.98	-96.51
CC[C@@H]1CN(C(=O)C2=C(O)C=CC=C2Cl)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111413	0	42	-2.0	-95.19	376.15	2.25	-92.94
CC[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2Cl)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111413	1	42	-2.0	-95.19	376.15	2.25	-92.94
CC[C@@H]1CN(C(=O)C2=CC=CN([O-])C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111422	0	42	-2.0	-128.90	366.19	2.25	-126.65
CC[C@@H]1CN(C(=O)C2=C(F)C=CC(O)=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111463	0	42	-2.0	-100.14	373.03	1.83	-98.31
CC[C@@H]1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111463	1	42	-2.0	-100.14	373.03	1.83	-98.31
CC[C@@H]1CN(C(=O)C2=CC(F)=CC=C2O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111675	0	42	-2.0	-105.84	358.63	2.75	-103.09
CC[C@@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111675	1	42	-2.0	-105.84	358.63	2.75	-103.09
CC[C@@H]1CN(C(=O)C2=NC=CC(C)=C2O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111771	0	44	-2.0	-101.38	368.00	2.90	-98.48
CC[C@@H]1CN(C(=O)C2=NC=CC(C)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111771	1	44	-2.0	-101.38	368.00	2.90	-98.48
CC[C@@H]1CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111837	0	42	-2.0	-111.08	375.06	3.29	-107.79
CC[C@@H]1CN(C(=O)C2=CN=CC([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111966	1	41	-2.0	-94.79	345.81	-0.41	-95.20
CC[C@@H]1CN(C(=O)C2=CC=CC(=S)N2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030111979	0	42	-2.0	-107.73	377.50	2.74	-104.99
CC[C@@H]1CN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112149	1	44	-2.0	-93.17	379.40	-0.19	-93.36
CC[C@@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112154	0	41	-2.0	-92.07	366.06	1.07	-91.00
CC[C@@H]1CN(C(=O)C2=CC=C([O-])C=C2Cl)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112224	1	42	-2.0	-96.96	368.03	1.97	-94.99
CC[C@@H]1CN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112227	0	45	-2.0	-104.38	385.98	1.00	-103.38
CC[C@@H]1CN(C(=O)CC2=NC([O-])=CS2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112240	0	41	-2.0	-102.59	366.40	-1.71	-104.30
CC[C@@H]1CN(C(=O)C2=C([O-])C=CC=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112265	0	42	-2.0	-103.99	366.66	1.87	-102.12
CC[C@@H]1CN(C(=O)CN2[N-]C(=O)C=CC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112268	0	44	-2.0	-95.98	381.67	-1.07	-97.05
CC[C@@H]1CN(C(=O)C2=CC=C(F)C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112271	0	42	-2.0	-108.28	359.15	2.84	-105.44
CC[C@@H]1CN(C(=O)C2=C(C)C=CC(F)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112321	0	45	-2.0	-98.40	386.10	2.42	-95.98
CC[C@@H]1CN(C(=O)CC2SC(=O)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112418	0	42	-2.0	-89.92	373.02	-2.57	-92.49
CC[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112451	0	42	-2.0	-101.33	365.41	1.55	-99.78
CC[C@@H]1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112454	1	43	-2.0	-86.52	382.93	0.28	-86.24
CC[C@@H]1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112460	0	42	-2.0	-95.87	370.22	2.96	-92.91
CC[C@@H]1CN(C(=O)C2=N[N-]C(C)=CC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112498	0	43	-2.0	-95.53	365.10	2.30	-93.23
CC[C@@H]1CN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112504	0	47	-2.0	-104.62	396.90	1.99	-102.63
CC[C@@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112538	0	42	-2.0	-106.26	366.39	2.11	-104.15
CC[C@@H]1CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112585	0	42	-2.0	-89.11	375.44	-0.01	-89.12
CC[C@@H]1CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112586	0	44	-2.0	-98.28	385.85	-5.54	-103.82
CC[C@@H]1CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112586	1	44	-2.0	-88.12	386.80	-5.38	-93.50
CC[C@@H]1CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112617	0	44	-2.0	-90.90	379.73	3.05	-87.85
CC[C@@H]1CN(C(=O)C2=NN(C)C(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112662	0	41	-2.0	-101.20	353.30	-1.34	-102.54
CC[C@@H]1CN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112703	0	44	-2.0	-90.41	382.67	-0.65	-91.06
CC[C@@H]1CN(C(=O)C2=C(F)C=CC(O)=C2O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112746	0	43	-2.0	-100.23	376.84	-0.19	-100.42
CC[C@@H]1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112746	1	43	-2.0	-100.23	376.84	-0.19	-100.42
CC[C@@H]1CN(C(=O)C2=CC(C#N)=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112759	0	43	-2.0	-102.16	373.54	3.14	-99.02
CC[C@@H]1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112899	0	42	-2.0	-98.01	371.30	-0.34	-98.35
CC[C@@H]1CN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112939	0	42	-2.0	-102.81	375.25	3.29	-99.52
CC[C@@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112974	1	42	-2.0	-98.54	357.05	1.41	-97.13
CC[C@@H]1CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112983	1	47	-2.0	-122.17	393.13	3.19	-118.98
CC[C@@H]1CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112987	0	44	-2.0	-105.02	380.89	3.43	-101.59
CC[C@@H]1CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030112990	0	44	-2.0	-91.39	381.49	3.24	-88.15
CC[C@@H]1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113004	1	42	-2.0	-108.09	369.46	3.29	-104.80
CC[C@@H]1CN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113026	0	44	-2.0	-90.48	378.26	2.02	-88.46
CC[C@@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113113	0	40	-2.0	-93.14	349.34	-3.21	-96.35
CC[C@@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113113	1	40	-2.0	-93.14	349.34	-3.21	-96.35
CC[C@@H]1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113149	0	44	-2.0	-98.66	374.67	0.44	-98.22
CC[C@@H]1CN(C(=O)C2=C(O)C3=CC=CC=C3C=N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113192	0	47	-2.0	-110.03	392.91	4.59	-105.44
CC[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113192	1	47	-2.0	-110.03	392.91	4.59	-105.44
CC[C@@H]1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113193	0	38	-2.0	-91.62	351.84	-0.63	-92.25
CC[C@@H]1CN(C(=O)C2=CN=C(N)NC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113218	0	42	-2.0	-109.20	364.29	-1.20	-110.40
CC[C@@H]1CN(C(=O)C2=CN=C(N)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113218	1	42	-2.0	-109.20	364.29	-1.20	-110.40
CC[C@@H]1CN(C(=O)C2=C(C)C=C(C#N)C(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113252	0	45	-2.0	-91.71	385.94	1.76	-89.95
CC[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113338	0	42	-2.0	-95.75	374.62	2.04	-93.71
CC[C@@H]1CN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113344	0	43	-2.0	-90.06	380.71	1.27	-88.79
CC[C@@H]1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113344	1	43	-2.0	-90.06	380.71	1.27	-88.79
CC[C@@H]1CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113353	0	44	-2.0	-91.42	380.29	0.23	-91.19
CC[C@@H]1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113366	0	41	-2.0	-97.22	363.87	2.73	-94.49
CC[C@@H]1CN(C(=O)CC2=CC=C(O)C(Cl)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113372	0	45	-2.0	-100.39	396.63	3.03	-97.36
CC[C@@H]1CN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113372	1	45	-2.0	-100.39	396.63	3.03	-97.36
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113434	0	38	-2.0	-99.07	330.81	-1.32	-100.39
CC[C@@H]1CN(C(=O)C2=NC(=O)C(C)S2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113473	0	41	-2.0	-104.20	362.80	-0.80	-105.00
CC[C@@H]1CN(C(=O)C2=NC([O-])=C(C)S2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113473	1	41	-2.0	-104.20	362.80	-0.80	-105.00
CC[C@@H]1CN(C(=O)C2=C(O)C=CC3=CC=CC=C32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113528	0	48	-2.0	-102.62	405.02	3.91	-98.71
CC[C@@H]1CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113528	1	48	-2.0	-102.62	405.02	3.91	-98.71
CC[C@@H]1CN(C(=O)C2=C(O)C3=CC=CC=C3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113548	0	48	-2.0	-102.06	398.41	4.92	-97.14
CC[C@@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113548	1	48	-2.0	-102.06	398.41	4.92	-97.14
CC[C@@H]1CN(C(=O)C2=CC3=CC=CC=C3C=C2O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113556	0	48	-2.0	-102.73	400.33	4.70	-98.03
CC[C@@H]1CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113556	1	48	-2.0	-102.73	400.33	4.70	-98.03
CC[C@@H]1CN(C(=O)C(=O)C2=CC=C(O)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113608	0	44	-2.0	-90.16	373.55	1.70	-88.46
CC[C@@H]1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113608	1	44	-2.0	-90.16	373.55	1.70	-88.46
CC[C@@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113646	0	41	-2.0	-103.47	369.06	-0.39	-103.86
CC[C@@H]1CN(C(=O)C2=CC(=O)C=C(Cl)N2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113682	0	41	-2.0	-87.47	366.27	2.02	-85.45
CC[C@@H]1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113682	1	41	-2.0	-87.47	366.27	2.02	-85.45
CC[C@@H]1CN(C(=O)C2=CN=C(SC)NC2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113708	0	44	-2.0	-110.56	392.23	-0.03	-110.59
CC[C@@H]1CN(C(=O)C2=CN=C(SC)[N-]C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113708	1	44	-2.0	-110.56	392.23	-0.03	-110.59
CC[C@@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113717	0	42	-2.0	-94.71	366.88	-2.66	-97.37
CC[C@@H]1CN(C(=O)C2=CC(=O)N(CC)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113802	0	45	-2.0	-93.60	380.56	1.15	-92.45
CC[C@@H]1CN(C(=O)C2=CC(=O)N(C)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113825	0	42	-2.0	-96.56	358.10	0.23	-96.33
CC[C@@H]1CN(C(=O)C2=CC=CC3=C2C(=O)NC3=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113839	0	45	-2.0	-115.63	379.15	-0.08	-115.71
CC[C@@H]1CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113839	1	45	-2.0	-115.63	379.15	-0.08	-115.71
CC[C@@H]1CN(C(=O)CSC2=NNC(=O)[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113843	0	42	-2.0	-91.78	376.57	-1.76	-93.54
CC[C@@H]1CN(C(=O)C2=C(C)NC(=O)NC2=S)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113845	0	44	-2.0	-95.71	388.28	-0.38	-96.09
CC[C@@H]1CN(C(=O)C2=C(C)NC(=O)[N-]C2=S)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113845	1	44	-2.0	-95.71	388.28	-0.38	-96.09
CC[C@@H]1CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030113918	1	47	-2.0	-97.35	399.68	2.00	-95.35
CC[C@@H]1CN(C(=O)CC2=CC(=O)N[N-]2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114031	1	42	-2.0	-94.99	360.70	-0.98	-95.97
CC[C@@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114038	1	42	-2.0	-94.66	357.01	1.45	-93.21
CC[C@@H]1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114103	0	42	-2.0	-96.68	363.08	1.49	-95.19
CC[C@@H]1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114109	0	41	-2.0	-93.19	365.20	0.99	-92.20
CC[C@@H]1CN(C(=O)CC2=C(C)[N-]N(C)C2=O)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114130	0	48	-2.0	-100.96	402.73	1.42	-99.54
CC[C@@H]1CN(C(=O)C2=NC=C(C)C=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114181	1	44	-2.0	-102.79	369.78	2.87	-99.92
CC[C@@H]1CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114197	0	43	-2.0	-94.36	387.11	-0.44	-94.80
CC[C@@H]1CN(C(=O)C2=CC([O-])=CS2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114219	0	39	-2.0	-98.67	343.24	0.48	-98.19
CC[C@@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114243	0	42	-2.0	-108.42	367.19	2.32	-106.10
CC[C@@H]1CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C[C@@H]1NC(=O)C1=CC(=O)[N-]O1	REAL300030114249	0	42	-2.0	-91.29	375.75	3.16	-88.13
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300030114303	0	42	-2.0	-96.13	361.55	-0.14	-96.27
CC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@@H]1NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030114338	1	43	-2.0	-88.71	372.64	0.49	-88.22
O=C(C1=COC(=O)[N-]1)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115307	1	43	-2.0	-84.11	350.61	-0.02	-84.13
O=C(CC1=CC(=O)N[N-]1)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115396	1	47	-2.0	-96.87	379.47	0.50	-96.37
CN1N=C(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)[N-]C1=O	REAL300030115407	0	46	-2.0	-97.31	373.09	0.27	-97.04
O=C(C1=CC(=O)[N-]O1)N1CC23CCCC2(C1)CN(C(=O)C1=C[N-]N=CC1=O)C3	REAL300030115443	0	45	-2.0	-79.02	361.76	1.59	-77.43
O=C(C1=CC(=O)N[N-]1)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115485	0	44	-2.0	-84.58	355.46	0.09	-84.49
C[PH](C)([O-])C(=O)C(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030115489	0	49	-2.0	-90.93	390.30	1.20	-89.73
CC1=CC(=O)C(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)=N[N-]1	REAL300030115713	0	48	-2.0	-93.88	384.21	3.85	-90.03
O=C(C1=CC(=O)[N-]O1)N1CC23CCCC2(C1)CN(C(=O)C1=NNC(=O)[N-]1)C3	REAL300030115719	0	43	-2.0	-94.62	350.26	-1.38	-96.00
CN1[N-]C(C(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)=CC1=O	REAL300030115839	0	47	-2.0	-87.11	378.20	1.80	-85.31
O=C(C1=CC(=O)[N-]O1)N1CC23CCCC2(C1)CN(C(=O)C1=NC=CC=C1O)C3	REAL300030116222	0	46	-2.0	-101.08	367.45	3.78	-97.30
O=C(C1=CC(=O)[N-]O1)N1CC23CCCC2(C1)CN(C(=O)C1=NC=CC=C1[O-])C3	REAL300030116222	1	46	-2.0	-101.08	367.45	3.78	-97.30
O=C(C1=COC(=O)[N-]1)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030116921	1	43	-2.0	-84.11	350.61	-0.02	-84.13
CC1=CC=C([O-])C(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)=N1	REAL300030117006	1	49	-2.0	-99.45	389.08	4.38	-95.07
O=C(C1=CC(=O)[N-]O1)N1CC23CCCC2(C1)CN(C(=O)C1=C[N-]N=CC1=O)C3	REAL300030117013	0	45	-2.0	-79.02	361.76	1.59	-77.43
O=C(C1=CC(=O)N[N-]1)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117110	0	44	-2.0	-84.58	355.46	0.09	-84.49
C[PH](C)([O-])C(=O)C(=O)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117114	0	49	-2.0	-90.93	390.30	1.20	-89.73
O=C(C1=CC(=O)[N-]O1)N1CC23CCCC2(C1)CN(C(=O)C1=NC(=O)N[N-]1)C3	REAL300030117154	0	43	-2.0	-94.10	350.35	-0.65	-94.75
CC1=CC=NC(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)=C1[O-]	REAL300030117265	1	49	-2.0	-98.56	387.80	4.47	-94.09
O=C(C1=CC(=O)[N-]O1)N1CC23CCCC2(C1)CN(C(=O)C1=CN=CC([O-])=C1)C3	REAL300030117305	1	46	-2.0	-97.50	367.31	1.10	-96.40
CC1=CC(=O)C(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)=N[N-]1	REAL300030117424	0	48	-2.0	-93.88	384.21	3.85	-90.03
CN1N=C(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)[N-]C1=O	REAL300030117464	0	46	-2.0	-97.31	373.09	0.27	-97.04
O=C(C1=CC(=O)[N-]O1)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117660	0	43	-2.0	-89.22	351.14	0.27	-88.95
CN1[N-]C(C(=O)N2CC34CCCC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C4)=CC1=O	REAL300030117775	0	47	-2.0	-87.11	378.20	1.80	-85.31
O=C(CC1=CC(=O)NN1)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117836	0	47	-2.0	-96.87	379.47	0.50	-96.37
O=C(CC1=CC(=O)N[N-]1)N1CC23CCCC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C3	REAL300030117836	1	47	-2.0	-96.87	379.47	0.50	-96.37
CC1=CN=C(C(=O)N2CC34CCCC3(CN(C(=O)C3=CC(=O)[N-]O3)C4)C2)C([O-])=C1	REAL300030117879	1	49	-2.0	-100.01	388.90	4.42	-95.59
O=C(C1=CC(=O)[N-]O1)N1CC23CCCC2(C1)CN(C(=O)C1=CC([O-])=CS1)C3	REAL300030117889	0	44	-2.0	-98.94	363.41	1.88	-97.06
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NNC(=O)[N-]C1=O	REAL300030119208	0	43	-2.0	-100.28	356.00	-3.03	-103.31
O=C(CN1C(=O)[N-]NC1=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030119304	0	45	-2.0	-104.38	370.12	-1.36	-105.74
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN([O-])C(=O)C=C1	REAL300030119957	0	45	-2.0	-111.21	367.08	3.11	-108.10
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)NC([O-])=C1	REAL300030120079	0	45	-2.0	-94.94	367.55	-1.79	-96.73
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COC(=O)[N-]1	REAL300030120090	1	41	-2.0	-97.19	339.61	-1.94	-99.13
CCN1[N-]C(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030120268	0	48	-2.0	-99.96	388.99	1.67	-98.29
O=C(CC1=CC(=O)N[N-]1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120276	1	45	-2.0	-103.88	365.11	-0.32	-104.20
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC(=S)N1[O-]	REAL300030120295	0	45	-2.0	-129.60	375.63	5.16	-124.44
O=C(CC1SC(=O)[N-]C1=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120305	0	45	-2.0	-92.92	378.23	-1.81	-94.73
CN1N=C(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300030120321	0	44	-2.0	-102.70	361.77	-0.76	-103.46
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=C[N-]N=CC1=O	REAL300030120413	0	43	-2.0	-90.54	348.67	1.22	-89.32
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N[N-]1	REAL300030120523	0	42	-2.0	-96.34	344.44	-0.95	-97.29
C[PH](C)([O-])C(=O)C(=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120528	0	47	-2.0	-96.91	377.77	0.35	-96.56
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CN([O-])C1=O	REAL300030120562	0	45	-2.0	-109.19	366.07	3.33	-105.86
CC1SC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NC1=O	REAL300030120593	0	44	-2.0	-103.67	370.99	-0.83	-104.50
CC1=C([O-])N=C(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030120593	1	44	-2.0	-103.67	370.99	-0.83	-104.50
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)C=C(Cl)N1	REAL300030120607	0	44	-2.0	-92.94	374.59	2.33	-90.61
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)C=C(Cl)[N-]1	REAL300030120607	1	44	-2.0	-92.94	374.59	2.33	-90.61
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N([O-])C=C1	REAL300030120626	0	45	-2.0	-111.61	367.45	3.11	-108.50
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC(=O)N1[O-]	REAL300030120665	0	45	-2.0	-127.05	364.52	4.11	-122.94
NC1=NC([O-])=C(CC(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030120796	0	46	-2.0	-110.31	385.77	-1.92	-112.23
O=C(CC1=NC([O-])=CS1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120844	0	44	-2.0	-110.68	370.95	-1.03	-111.71
CCC1=NC=C(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300030120862	1	49	-2.0	-96.76	390.98	1.62	-95.14
O=C(CN1N=CC(=O)[N-]C1=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030120871	0	46	-2.0	-102.23	380.46	-2.48	-104.71
CC1=CC(=O)C(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300030121092	0	46	-2.0	-101.49	373.16	2.83	-98.66
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)N[N-]1	REAL300030121108	0	41	-2.0	-97.02	339.03	-2.24	-99.26
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=C(C=N[O-])S1	REAL300030121230	0	44	-2.0	-105.80	379.82	0.63	-105.17
COC1=NC(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC(=O)[N-]1	REAL300030121245	0	47	-2.0	-100.07	385.16	-2.94	-103.01
CN1[N-]C(C(=O)NCC2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030121409	0	45	-2.0	-99.08	367.26	0.73	-98.35
O=C(CSC1=NNC(=O)[N-]1)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121416	0	45	-2.0	-98.82	381.43	-1.12	-99.94
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)[N-]C(=O)N1	REAL300030121583	0	43	-2.0	-98.50	357.56	-4.01	-102.51
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)NC(=O)[N-]1	REAL300030121583	1	43	-2.0	-93.34	358.21	-3.26	-96.60
O=C(CN1[N-]C(=O)C=CC1=O)NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030121742	0	47	-2.0	-104.74	386.23	-0.36	-105.10
O=C(NCC1CCCN(C(=O)C2=NC=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030121995	1	44	-2.0	-101.22	355.76	3.58	-97.64
O=C(NCC1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1)C1=CC(=O)[N-]O1	REAL300030122126	0	43	-2.0	-97.36	355.45	-2.47	-99.83
O=C(CN1C(=O)[N-]NC1=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030122306	0	45	-2.0	-98.13	375.51	-1.22	-99.35
O=C(NCC1CCCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030123795	1	45	-2.0	-102.82	384.42	3.33	-99.49
N#CC1=CC([O-])=CC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030123821	1	46	-2.0	-95.62	380.55	2.60	-93.02
CCC1=NC=C(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300030123913	1	49	-2.0	-101.71	401.20	1.33	-100.38
O=C(NCC1CCCN(C(=O)C2=COC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030123932	1	41	-2.0	-95.53	339.13	0.17	-95.36
O=C(C[N-]C(=O)C(F)(F)F)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124003	0	44	-2.0	-90.48	379.57	-0.92	-91.40
NC1=NC([O-])=C(CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030124004	0	46	-2.0	-108.46	390.80	-1.70	-110.16
O=C(NCC1CCCN(C(=O)C2=C(F)C=C([O-])C=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030124014	0	45	-2.0	-88.37	382.94	2.70	-85.67
O=C(NCC1CCCN(C(=O)C2=CC=C([O-])C=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030124030	1	45	-2.0	-93.98	374.27	2.54	-91.44
O=C(NCC1CCCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1)C1=CC(=O)[N-]O1	REAL300030124036	0	44	-2.0	-97.17	364.23	1.82	-95.35
N#CC1=CC=C(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C=C1[O-]	REAL300030124044	1	46	-2.0	-97.26	379.83	2.66	-94.60
O=C(NCC1CCCN(C(=O)C2=CC(Cl)=NC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030124047	0	44	-2.0	-99.19	377.62	1.82	-97.37
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124065	0	46	-2.0	-100.97	385.47	-2.32	-103.29
CC1=CC=C([O-])C(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300030124130	1	47	-2.0	-101.57	377.42	4.14	-97.43
O=C(NCC1CCCN(C(=O)C2=C[N-]N=CC2=O)CC1)C1=CC(=O)[N-]O1	REAL300030124151	0	43	-2.0	-94.13	356.67	0.87	-93.26
O=C(NCC1CCCN(C(=O)C2=CC=CC(F)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030124162	0	45	-2.0	-112.02	373.91	2.88	-109.14
O=C(NCC1CCCN(C(=O)C2=CC=CC([O-])=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030124261	1	45	-2.0	-107.20	374.19	2.55	-104.65
O=C(NCC1CCCN(C(=O)C2=CC(=O)N[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030124372	0	42	-2.0	-92.99	344.02	-0.38	-93.37
C[PH](C)([O-])C(=O)C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030124378	0	47	-2.0	-93.26	377.49	0.62	-92.64
O=C(NCC1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030124476	0	45	-2.0	-100.45	377.27	3.15	-97.30
O=C(NCC1CCCN(C(=O)C2=NNC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030124502	0	41	-2.0	-96.79	338.80	-1.91	-98.70
O=C(NCC1CCCN(C(=O)C2=C(O)C=CC=C2Cl)CC1)C1=CC(=O)[N-]O1	REAL300030124505	0	45	-2.0	-97.27	382.44	2.97	-94.30
O=C(NCC1CCCN(C(=O)C2=C([O-])C=CC=C2Cl)CC1)C1=CC(=O)[N-]O1	REAL300030124505	1	45	-2.0	-97.27	382.44	2.97	-94.30
O=C(NCC1CCCN(C(=O)C2=CC=CN([O-])C2=O)CC1)C1=CC(=O)[N-]O1	REAL300030124510	0	45	-2.0	-116.37	368.93	2.91	-113.46
O=C(NCC1CCCN(C(=O)C2=C(F)C=CC(O)=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030124539	0	45	-2.0	-97.20	382.78	2.68	-94.52
O=C(NCC1CCCN(C(=O)C2=C(F)C=CC([O-])=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030124539	1	45	-2.0	-97.20	382.78	2.68	-94.52
O=C(NCC1CCCN(C(=O)C2=CC(F)=CC=C2O)CC1)C1=CC(=O)[N-]O1	REAL300030124688	0	45	-2.0	-102.15	374.10	2.89	-99.26
O=C(NCC1CCCN(C(=O)C2=CC(F)=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030124688	1	45	-2.0	-102.15	374.10	2.89	-99.26
CC1=CC=NC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)=C1O	REAL300030124753	0	47	-2.0	-101.00	376.14	4.27	-96.73
CC1=CC=NC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)=C1[O-]	REAL300030124753	1	47	-2.0	-101.00	376.14	4.27	-96.73
O=C(NCC1CCCN(C(=O)C2=CN=CC([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300030124874	1	44	-2.0	-98.10	354.59	0.36	-97.74
O=C(NCC1CCCN(C(=O)C2=CC=CC(=S)N2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030124884	0	45	-2.0	-125.36	382.97	3.58	-121.78
O=C(NCC1CCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC1)C1=CC(=O)[N-]O1	REAL300030125001	0	44	-2.0	-92.21	374.05	2.42	-89.79
O=C(NCC1CCCN(C(=O)C2=CC=C([O-])C=C2Cl)CC1)C1=CC(=O)[N-]O1	REAL300030125045	1	45	-2.0	-92.12	382.91	2.98	-89.14
N#CC1=CC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)=C([O-])C=C1N	REAL300030125047	0	48	-2.0	-100.66	401.38	1.13	-99.53
O=C(CC1=NC([O-])=CS1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125057	0	44	-2.0	-109.98	375.96	-0.83	-110.81
O=C(NCC1CCCN(C(=O)C2=C([O-])C=CC=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030125072	0	45	-2.0	-98.89	376.46	2.71	-96.18
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125074	0	47	-2.0	-99.50	391.60	-0.24	-99.74
O=C(NCC1CCCN(C(=O)C2=CC=C(F)C=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030125075	0	45	-2.0	-105.66	374.02	2.89	-102.77
CC1=CC=C(F)C([O-])=C1C(=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125112	0	48	-2.0	-107.80	389.58	3.20	-104.60
O=C(CC1SC(=O)[N-]C1=O)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030125183	0	45	-2.0	-88.85	383.23	-1.59	-90.44
O=C(NCC1CCCN(C(=O)C2=CC=C([O-])C(F)=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030125208	0	45	-2.0	-96.16	380.38	2.62	-93.54
O=C(NCC1CCCN(C(=O)C2=CC=CC(Cl)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030125215	0	45	-2.0	-106.09	383.71	3.37	-102.72
CC1=CC(=O)C(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300030125244	0	46	-2.0	-95.65	372.55	3.42	-92.23
O=C(NCC1CCCN(C(=O)C2=CC=CC(=O)N2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030125270	0	45	-2.0	-118.36	370.78	2.88	-115.48
N#CC1=CC=C(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300030125300	0	45	-2.0	-97.45	386.12	0.84	-96.61
CN1N=C(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300030125352	0	44	-2.0	-98.86	361.57	-0.24	-99.10
O=C(NCC1CCCN(C(=O)C2=C(F)C=CC(O)=C2O)CC1)C1=CC(=O)[N-]O1	REAL300030125406	0	46	-2.0	-102.08	386.74	0.77	-101.31
O=C(NCC1CCCN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030125406	1	46	-2.0	-102.08	386.74	0.77	-101.31
N#CC1=CC=C([O-])C(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030125415	0	46	-2.0	-98.66	388.52	3.24	-95.42
O=C(NCC1CCCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1)C1=CC(=O)[N-]O1	REAL300030125510	0	45	-2.0	-93.77	381.52	0.51	-93.26
O=C(NCC1CCCN(C(=O)C2=CC=C(F)C(O)=C2)CC1)C1=CC(=O)[N-]O1	REAL300030125566	0	45	-2.0	-91.41	371.91	2.44	-88.97
O=C(NCC1CCCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300030125566	1	45	-2.0	-91.41	371.91	2.44	-88.97
O=C(NCC1CCCN(C(=O)C2=CC=C(Cl)C=C2O)CC1)C1=CC(=O)[N-]O1	REAL300030125585	0	45	-2.0	-105.43	384.34	3.33	-102.10
O=C(NCC1CCCN(C(=O)C2=CC=C(Cl)C=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030125585	1	45	-2.0	-105.43	384.34	3.33	-102.10
O=C(NCC1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL300030125657	0	43	-2.0	-99.92	356.98	-2.29	-102.21
O=C(NCC1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030125657	1	43	-2.0	-91.56	357.52	-1.51	-93.07
NC1=NC=C(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300030125717	1	45	-2.0	-101.71	374.73	-0.32	-102.03
CC1=C(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)[N-]C(=O)C(C#N)=C1	REAL300030125739	0	48	-2.0	-94.86	405.52	1.31	-93.55
O=C(NCC1CCCN(C(=O)C2=CC=C(F)C([O-])=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030125753	0	45	-2.0	-106.60	380.33	2.61	-103.99
COC1=NC(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)=CC(=O)[N-]1	REAL300030125800	0	47	-2.0	-95.88	376.63	-1.80	-97.68
O=C(NCC1CCCN(C(=O)C2=NC=CC(Cl)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030125810	0	44	-2.0	-97.31	372.03	4.10	-93.21
O=C(NCC1CCCN(C(=O)C2=CC=C(Cl)C([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300030125848	0	45	-2.0	-88.01	381.70	2.93	-85.08
O=C(NCC1CCCN(C(=O)C2=CC=NC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030125857	0	44	-2.0	-106.02	360.73	1.41	-104.61
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)[N-]O1	REAL300030125863	0	41	-2.0	-99.73	339.19	-0.47	-100.20
CC1=C([O-])N=C(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030125888	1	44	-2.0	-103.71	371.04	0.75	-102.96
O=C(NCC1CCCN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030125984	1	47	-2.0	-90.90	392.71	2.49	-88.41
O=C(NCC1CCCN(C(=O)C2=CN=C(C=N[O-])S2)CC1)C1=CC(=O)[N-]O1	REAL300030126007	0	44	-2.0	-110.25	375.54	0.21	-110.04
O=C(NCC1CCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030126031	1	44	-2.0	-88.91	373.71	3.42	-85.49
O=C(NCC1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300030126055	0	45	-2.0	-94.45	365.67	-2.12	-96.57
CCN1[N-]C(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030126116	0	48	-2.0	-95.08	388.50	2.26	-92.82
CN1[N-]C(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030126137	0	45	-2.0	-94.80	366.74	1.32	-93.48
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030126147	0	45	-2.0	-93.21	386.81	-0.89	-94.10
O=C(CC1=CC(=O)N[N-]1)N1CCCC(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030126284	1	45	-2.0	-101.21	370.10	-0.10	-101.31
O=C(NCC1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1)C1=CC(=O)[N-]O1	REAL300030126289	1	45	-2.0	-95.46	371.90	2.47	-92.99
O=C(NCC1CCCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC1)C1=CC(=O)[N-]O1	REAL300030126337	0	45	-2.0	-99.87	372.08	2.39	-97.48
O=C(NCC1CCCN(C(=O)C2=CC=NC(Cl)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030126342	0	44	-2.0	-103.98	376.93	1.83	-102.15
CC1=C(CC(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N(C)[N-]1	REAL300030126357	0	51	-2.0	-104.35	412.94	2.30	-102.05
CC1=CN=C(C(=O)N2CCCC(CNC(=O)C3=CC(=O)[N-]O3)CC2)C([O-])=C1	REAL300030126394	1	47	-2.0	-102.59	378.04	4.09	-98.50
O=C(NCC1CCCN(C(=O)C2=CC([O-])=CS2)CC1)C1=CC(=O)[N-]O1	REAL300030126417	0	42	-2.0	-105.78	349.33	1.04	-104.74
O=C(NCC1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030126433	0	45	-2.0	-99.63	377.03	3.14	-96.49
O=C(NCC1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN([O-])C(=O)NC1=O	REAL300030126463	0	45	-2.0	-95.34	371.32	0.81	-94.53
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300030127000	1	47	-2.0	-104.95	400.59	1.46	-103.49
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CCCN1C(=O)[N-]NC1=O	REAL300030127712	0	48	-2.0	-102.36	412.95	-0.90	-103.26
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CCC1=NNC(=O)[N-]C1=O	REAL300030127951	0	46	-2.0	-102.55	401.25	-3.75	-106.30
CC(=O)[N-]C1=NC(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030127952	1	44	-2.0	-102.92	394.56	-0.10	-103.02
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300030128131	1	47	-2.0	-104.19	406.99	0.39	-103.80
COC1=C(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030128253	1	45	-2.0	-111.06	389.76	-2.43	-113.49
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=NNC(=O)[N-]C1=O	REAL300030128380	0	40	-2.0	-102.71	358.10	-3.83	-106.54
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CN1C(=O)[N-]NC1=O	REAL300030128508	0	42	-2.0	-105.18	370.43	-2.09	-107.27
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CN([O-])C(=O)C=C1	REAL300030129463	0	42	-2.0	-115.08	369.16	2.34	-112.74
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC(=O)NC([O-])=C1	REAL300030129647	0	42	-2.0	-95.86	369.62	-2.58	-98.44
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=COC(=O)[N-]1	REAL300030129660	1	38	-2.0	-107.82	339.62	-2.65	-110.47
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)[N-]C(=O)C(F)(F)C(F)(F)F	REAL300030129791	1	37	-2.0	-87.34	344.27	0.57	-86.77
CCN1[N-]C(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030129911	0	45	-2.0	-100.94	391.08	0.90	-100.04
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1=CC(=O)N[N-]1	REAL300030129920	1	42	-2.0	-106.39	366.03	-1.19	-107.58
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC=CC(=S)N1[O-]	REAL300030129945	0	42	-2.0	-136.09	377.68	4.45	-131.64
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1SC(=O)[N-]C1=O	REAL300030129961	0	42	-2.0	-103.20	378.22	-2.51	-105.71
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=NN(C)C(=O)[N-]1	REAL300030129980	0	41	-2.0	-104.15	363.79	-1.54	-105.69
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=C[N-]N=CC1=O	REAL300030130108	0	40	-2.0	-87.96	350.71	0.49	-87.47
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300030130148	0	44	-2.0	-112.91	385.72	0.84	-112.07
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC(=O)N[N-]1	REAL300030130255	0	39	-2.0	-103.65	344.44	-1.66	-105.31
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C(=O)[PH](C)(C)[O-]	REAL300030130260	0	44	-2.0	-91.23	380.55	-0.16	-91.39
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC=CN([O-])C1=O	REAL300030130311	0	42	-2.0	-118.52	365.59	2.41	-116.11
CSC1=NC=C(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030130332	0	44	-2.0	-104.28	391.74	0.22	-104.06
CSC1=NC=C(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030130332	1	44	-2.0	-104.28	391.74	0.22	-104.06
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=NC(=O)C(C)S1	REAL300030130358	0	41	-2.0	-116.40	370.98	-1.54	-117.94
CC1=C([O-])N=C(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030130358	1	41	-2.0	-116.40	370.98	-1.54	-117.94
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC(=O)C=C(Cl)N1	REAL300030130381	0	41	-2.0	-93.78	376.69	1.54	-92.24
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300030130381	1	41	-2.0	-93.78	376.69	1.54	-92.24
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC(=O)N([O-])C=C1	REAL300030130406	0	42	-2.0	-115.15	369.53	2.32	-112.83
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC=CC(=O)N1[O-]	REAL300030130471	0	42	-2.0	-132.27	366.56	3.41	-128.86
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1=C([O-])N=C(N)S1	REAL300030130656	0	43	-2.0	-112.06	387.70	-2.63	-114.69
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CC1=NC([O-])=CS1	REAL300030130722	0	41	-2.0	-112.45	371.87	-1.90	-114.35
CCC1=NC=C(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030130749	0	46	-2.0	-102.84	390.50	0.70	-102.14
CCC1=NC=C(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030130749	1	46	-2.0	-102.84	390.50	0.70	-102.14
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=C(Cl)C(=O)[N-]S1	REAL300030130847	0	38	-2.0	-105.27	362.00	-0.36	-105.63
COCC1=NC=C(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030130966	1	47	-2.0	-103.56	403.42	-1.06	-104.62
CC1=CC(=O)C(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030131073	0	43	-2.0	-105.72	373.16	2.11	-103.61
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=NNC(=O)[N-]1	REAL300030131092	0	38	-2.0	-101.15	341.03	-3.21	-104.36
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030131118	1	43	-2.0	-106.10	382.54	1.22	-104.88
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CN=C(C=N[O-])S1	REAL300030131266	0	41	-2.0	-108.06	381.91	-0.15	-108.21
COC1=NC(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030131287	0	44	-2.0	-102.08	387.26	-3.74	-105.82
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC(=O)N(C)[N-]1	REAL300030131519	0	42	-2.0	-99.97	369.35	-0.03	-100.00
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300030131529	1	45	-2.0	-118.42	392.06	0.36	-118.06
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CSC1=NNC(=O)[N-]1	REAL300030131532	0	42	-2.0	-105.11	382.34	-1.99	-107.10
CC1=C(C(=O)NC(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300030131533	1	44	-2.0	-128.44	394.81	-0.46	-128.90
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300030131762	0	40	-2.0	-98.22	359.66	-4.80	-103.02
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300030131762	1	40	-2.0	-93.50	360.30	-4.04	-97.54
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300030131841	0	44	-2.0	-108.39	392.25	-5.68	-114.07
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300030131841	1	44	-2.0	-101.54	392.19	-5.62	-107.16
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)CN1[N-]C(=O)C=CC1=O	REAL300030131994	0	44	-2.0	-107.30	388.16	-1.09	-108.39
CC(CC1CN(C(=O)C2=NC=CC=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132251	1	41	-2.0	-109.04	357.79	2.09	-106.95
CC(CC1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132376	1	47	-2.0	-112.08	408.12	0.67	-111.41
CC(=O)[N-]C1=NC(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030132390	1	44	-2.0	-94.57	396.15	0.10	-94.47
CC(CC1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132425	0	40	-2.0	-103.08	356.33	-3.71	-106.79
COC1=C(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030132482	1	45	-2.0	-100.24	389.85	-2.41	-102.65
CC(CC1CN(C(=O)CN2C(=O)[N-]NC2=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030132669	0	42	-2.0	-103.11	373.00	-2.08	-105.19
CC(CC1CN(C(=O)CCCN2C(=O)[N-]NC2=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030133770	0	48	-2.0	-99.32	414.66	-0.75	-100.07
CC(CC1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134003	1	47	-2.0	-110.70	400.66	2.24	-108.46
CC(CC1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134957	0	46	-2.0	-99.17	402.38	-3.47	-102.64
CC(CC1CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134967	0	44	-2.0	-105.51	386.08	3.21	-102.30
CC(CC1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030134981	1	42	-2.0	-107.30	377.78	3.38	-103.92
CC(CC1CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135015	1	43	-2.0	-95.02	381.70	1.80	-93.22
CC(CC1CN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135047	0	44	-2.0	-110.57	388.78	1.47	-109.10
CC(CC1CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135113	0	44	-2.0	-116.61	387.30	4.42	-112.19
CCC1=NC=C(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030135147	1	46	-2.0	-109.59	388.22	1.67	-107.92
CC(CC1CN(C(=O)C2=COC(=O)[N-]2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135172	1	38	-2.0	-110.72	340.24	-2.24	-112.96
CC(CC1CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135260	0	44	-2.0	-115.29	390.43	3.13	-112.16
CC(CC1CN(C(=O)C[N-]C(=O)C(F)(F)F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135278	0	41	-2.0	-101.19	376.59	-1.66	-102.85
CC(CC1CN(C(=O)CC2=C([O-])N=C(N)S2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135279	0	43	-2.0	-119.43	388.65	-2.63	-122.06
CC(CC1CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135290	0	42	-2.0	-103.51	380.57	1.79	-101.72
CC(CC1CN(C(=O)C2=CC=C([O-])C=C2F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135314	1	42	-2.0	-107.16	366.01	1.66	-105.50
CC(CC1CN(C(=O)C2=CC([O-])=CC(=O)O2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135323	0	41	-2.0	-109.34	364.18	1.05	-108.29
CC(CC1CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135334	1	43	-2.0	-96.46	381.31	1.94	-94.52
CC(CC1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135340	0	41	-2.0	-102.57	371.16	1.79	-100.78
CC(CC1CN(C(=O)C2=C(N)[N-]C(=O)C(C#N)=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135347	0	44	-2.0	-94.17	396.91	-1.09	-95.26
CC(CC1CN(C(=O)CN2N=CC(=O)[N-]C2=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135366	0	43	-2.0	-103.22	382.47	-3.07	-106.29
CC1=CC=C([O-])C(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030135459	1	44	-2.0	-107.03	377.45	2.69	-104.34
CC(CC1CN(C(=O)CCC2=NC(=O)[N-]N2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135463	1	44	-2.0	-115.50	383.25	-2.00	-117.50
CC(CC1CN(C(=O)C2=C[N-]N=CC2=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135487	0	40	-2.0	-99.39	349.07	1.14	-98.25
CC(CC1CN(C(=O)C2=CC=CC(F)=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135501	0	42	-2.0	-112.45	367.30	2.94	-109.51
CC(CC1CN(C(=O)C2=CC=CC([O-])=C2F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135636	1	42	-2.0	-111.27	366.87	1.48	-109.79
CC(CC1CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135723	0	44	-2.0	-103.89	387.16	3.31	-100.58
CC(CC1CN(C(=O)C2=CC(=O)N[N-]2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135793	0	39	-2.0	-97.04	346.26	-1.60	-98.64
CC(CC1CN(C(=O)C(=O)[PH](C)(C)[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135801	0	44	-2.0	-96.96	380.37	-0.13	-97.09
CC(CC1CN(C(=O)C(=O)C=C([O-])C2=CC=CC=N2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135830	0	47	-2.0	-123.92	412.94	3.13	-120.79
CC(CC1CN(C(=O)C2=CC(N)=C(F)C([O-])=C2F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135863	0	44	-2.0	-112.96	386.16	-0.38	-113.34
COCC1=NC=C(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030135871	1	47	-2.0	-108.91	402.76	-0.17	-109.08
CC(CC1CN(C(=O)C2=CC(F)=CC(F)=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135901	0	42	-2.0	-107.67	374.25	3.09	-104.58
CC(CC1CN(C(=O)C2=CC(=O)N([O-])C=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135934	0	42	-2.0	-111.46	367.15	2.08	-109.38
CC(CC1CN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135968	0	42	-2.0	-104.93	380.51	1.65	-103.28
CC(CC1CN(C(=O)C2=NC(=O)N[N-]2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135970	0	38	-2.0	-98.44	341.00	-2.63	-101.07
CC(CC1CN(C(=O)C2=C([O-])C=CC=C2Cl)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135976	1	42	-2.0	-111.51	383.48	2.16	-109.35
CC(CC1CN(C(=O)C2=CC=CN([O-])C2=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030135985	0	42	-2.0	-116.62	373.08	2.38	-114.24
CC(CC1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136026	1	42	-2.0	-106.93	381.49	1.91	-105.02
CC(CC1CN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136154	0	42	-2.0	-104.01	368.00	-1.95	-105.96
CC(CC1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136231	0	42	-2.0	-96.10	377.13	2.10	-94.00
CC(CC1CN(C(=O)C2=CC(F)=CC=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136238	1	42	-2.0	-107.65	367.46	2.95	-104.70
CC1=CC=NC(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300030136334	1	44	-2.0	-107.83	376.49	2.77	-105.06
CC(CC1CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136400	0	42	-2.0	-109.49	382.62	3.55	-105.94
CC(CC1CN(C(=O)C2=CN=CC([O-])=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136529	1	41	-2.0	-112.04	354.55	-0.30	-112.34
CC(CC1CN(C(=O)C2=CC=CC(=S)N2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136542	0	42	-2.0	-130.32	375.45	4.14	-126.18
CC(CC1CN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136712	1	44	-2.0	-100.47	389.55	-0.10	-100.57
CC(CC1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136717	0	41	-2.0	-93.85	376.21	0.78	-93.07
CC(CC1CN(C(=O)C2=CC=C([O-])C=C2Cl)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136787	1	42	-2.0	-106.53	374.18	2.12	-104.41
CC(CC1CN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136790	0	45	-2.0	-107.76	394.04	1.26	-106.50
CC(CC1CN(C(=O)CC2=NC([O-])=CS2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136803	0	41	-2.0	-113.31	373.84	-1.75	-115.06
CC(CC1CN(C(=O)C2=C([O-])C=CC=C2F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136828	0	42	-2.0	-105.84	373.99	1.79	-104.05
CC(CC1CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136831	0	44	-2.0	-103.21	389.10	-1.11	-104.32
CC(CC1CN(C(=O)C2=CC=C(F)C=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136834	0	42	-2.0	-108.29	365.75	3.20	-105.09
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(CC(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030136884	0	45	-2.0	-109.47	393.43	2.34	-107.13
CC(CC1CN(C(=O)CC2SC(=O)[N-]C2=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030136981	0	42	-2.0	-94.71	382.65	-2.40	-97.11
CC(CC1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137014	0	42	-2.0	-107.65	372.99	1.60	-106.05
CC(CC1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137017	1	43	-2.0	-92.41	391.33	0.34	-92.07
CC(CC1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137023	0	42	-2.0	-107.87	377.10	3.40	-104.47
CC1=CC(=O)C(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030137061	0	43	-2.0	-105.51	373.52	2.15	-103.36
CC(CC1CN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137067	0	47	-2.0	-111.66	405.52	1.97	-109.69
CC(CC1CN(C(=O)C2=CC=CC(=O)N2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137101	0	42	-2.0	-128.16	364.33	3.11	-125.05
CC(CC1CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137148	0	42	-2.0	-94.44	384.84	0.09	-94.35
CC(CC1CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137149	0	44	-2.0	-107.98	393.38	-5.36	-113.34
CC(CC1CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137149	1	44	-2.0	-100.10	394.16	-5.43	-105.53
CC(CC1CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137180	0	44	-2.0	-101.47	390.24	3.15	-98.32
CC(CC1CN(C(=O)C2=NN(C)C(=O)[N-]2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137225	0	41	-2.0	-103.14	363.50	-1.29	-104.43
CC(CC1CN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137266	0	44	-2.0	-94.03	388.90	-0.62	-94.65
CC(CC1CN(C(=O)C2=C(F)C=CC(O)=C2O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137309	0	43	-2.0	-112.36	385.86	0.00	-112.36
CC(CC1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137309	1	43	-2.0	-112.36	385.86	0.00	-112.36
CC(CC1CN(C(=O)C2=CC(C#N)=CC=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137322	0	43	-2.0	-106.03	381.90	3.29	-102.74
CC(CC1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137462	0	42	-2.0	-101.53	370.24	0.73	-100.80
CC(CC1CN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137502	0	42	-2.0	-104.54	382.81	3.53	-101.01
CC(CC1CN(C(=O)C2=CC=C(F)C([O-])=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137537	1	42	-2.0	-100.72	367.37	1.57	-99.15
CC(CC1CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137546	1	47	-2.0	-119.16	401.05	3.47	-115.69
CC(CC1CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137550	0	44	-2.0	-105.13	387.51	3.80	-101.33
CC(CC1CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137553	0	44	-2.0	-103.60	388.47	3.65	-99.95
CC(CC1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137567	1	42	-2.0	-108.06	376.07	3.64	-104.42
CC(CC1CN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137589	0	44	-2.0	-94.38	389.05	2.08	-92.30
CC(CC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137676	0	40	-2.0	-100.18	359.05	-4.35	-104.53
CC(CC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137676	1	40	-2.0	-104.98	357.59	-3.46	-108.44
CC(CC1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137712	0	44	-2.0	-122.93	381.89	0.43	-122.50
CC(CC1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137755	1	47	-2.0	-114.90	403.11	4.32	-110.58
CC(CC1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137756	0	38	-2.0	-104.71	360.90	-0.65	-105.36
CC(CC1CN(C(=O)C2=CN=C(N)[N-]C2=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137781	1	42	-2.0	-110.99	373.20	-1.16	-112.15
CC1=C(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300030137815	0	45	-2.0	-110.92	393.76	1.48	-109.44
CC(CC1CN(C(=O)C2=CC=C(F)C([O-])=C2F)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137841	0	42	-2.0	-112.03	372.96	1.59	-110.44
CC(CC1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137901	0	42	-2.0	-97.39	383.02	2.07	-95.32
CC(CC1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137907	1	43	-2.0	-107.74	380.26	0.90	-106.84
COC1=NC(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030137913	0	44	-2.0	-100.61	385.39	-3.34	-103.95
CC(CC1CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137916	0	44	-2.0	-96.75	389.79	0.33	-96.42
CC(CC1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137929	0	41	-2.0	-103.59	372.92	2.45	-101.14
CC(CC1CN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137935	1	45	-2.0	-102.44	404.99	3.07	-99.37
CC(CC1CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137976	0	42	-2.0	-97.16	377.17	2.06	-95.10
CC(CC1CN(C(=O)C2=CC=NC=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137987	0	41	-2.0	-108.56	353.93	1.29	-107.27
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030137997	0	38	-2.0	-101.04	341.28	-1.26	-102.30
CC1=C([O-])N=C(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030138036	1	41	-2.0	-104.90	372.99	-1.11	-106.01
CC(CC1CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138091	1	48	-2.0	-107.73	414.10	3.99	-103.74
CC(CC1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138111	1	48	-2.0	-113.71	404.57	5.42	-108.29
CC(CC1CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138119	1	48	-2.0	-115.72	406.34	5.28	-110.44
CC(CC1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138171	1	44	-2.0	-100.87	382.62	1.62	-99.25
CC(CC1CN(C(=O)C2=CN=C(C=N[O-])S2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138209	0	41	-2.0	-106.96	379.74	-0.32	-107.28
CC(CC1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138245	1	41	-2.0	-97.76	374.74	1.75	-96.01
CSC1=NC=C(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030138271	1	44	-2.0	-112.13	401.14	-0.01	-112.14
CC(CC1CN(C(=O)C2=CC(=O)NC([O-])=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138280	0	42	-2.0	-105.81	366.23	-2.96	-108.77
CCN1[N-]C(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030138365	0	45	-2.0	-100.57	390.80	1.04	-99.53
CC(CC1CN(C(=O)C2=CC(=O)N(C)[N-]2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138388	0	42	-2.0	-99.61	368.99	0.10	-99.51
CC(CC1CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138402	1	45	-2.0	-115.61	392.44	0.16	-115.45
CC(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138406	0	42	-2.0	-102.63	383.46	-1.69	-104.32
CC1=C(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300030138408	1	44	-2.0	-121.40	398.83	-0.54	-121.94
CC(CC1CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138481	1	47	-2.0	-116.56	407.07	2.17	-114.39
CC(CC1CN(C(=O)CC2=CC(=O)N[N-]2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138594	1	42	-2.0	-103.08	367.99	-1.04	-104.12
CC(CC1CN(C(=O)C2=CC=C([O-])C(F)=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138601	1	42	-2.0	-100.90	367.35	1.61	-99.29
CC(CC1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138666	0	42	-2.0	-110.75	371.61	1.69	-109.06
CC(CC1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138672	0	41	-2.0	-106.47	370.47	1.81	-104.66
CC1=C(CC(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300030138693	0	48	-2.0	-105.17	410.03	1.50	-103.67
CC1=CN=C(C(=O)N2CC(CC(C)NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030138744	1	44	-2.0	-109.16	378.17	2.57	-106.59
CC(CC1CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138760	0	43	-2.0	-113.16	395.58	-0.35	-113.51
CC(CC1CN(C(=O)C2=CC([O-])=CS2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138782	0	39	-2.0	-110.19	351.72	0.60	-109.59
CC(CC1CN(C(=O)C2=CN([O-])C(=O)C=C2)C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138806	0	42	-2.0	-111.12	366.38	1.98	-109.14
CC(CC1CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1)NC(=O)C1=CC(=O)[N-]O1	REAL300030138812	0	42	-2.0	-103.75	384.05	3.57	-100.18
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CN([O-])C(=O)NC1=O	REAL300030138866	0	42	-2.0	-95.78	371.89	0.03	-95.75
CC(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030138901	1	43	-2.0	-86.57	382.99	0.58	-85.99
O=C(C1=CC(=O)[N-]O1)N1CCCC2CN(C(=O)C3=NNC(=O)[N-]C3=O)CCC21	REAL300030139817	0	44	-2.0	-99.43	356.88	-3.36	-102.79
O=C(CN1C(=O)[N-]NC1=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030139878	0	46	-2.0	-95.77	369.39	-0.44	-96.21
O=C(C1=CC(=O)[N-]O1)N1CCCC2CN(C(=O)C3=CN([O-])C(=O)C=C3)CCC21	REAL300030140306	0	46	-2.0	-98.46	370.74	3.81	-94.65
O=C(C1=CC(=O)[N-]O1)N1CCCC2CN(C(=O)C3=CC(=O)NC([O-])=C3)CCC21	REAL300030140394	0	46	-2.0	-92.12	371.59	-0.96	-93.08
O=C(C1=COC(=O)[N-]1)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140405	1	42	-2.0	-94.38	335.25	0.24	-94.14
CCN1[N-]C(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030140529	0	49	-2.0	-95.15	384.74	2.78	-92.37
O=C(CC1=CC(=O)N[N-]1)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140536	1	46	-2.0	-97.33	364.41	0.66	-96.67
CN1N=C(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030140563	0	45	-2.0	-98.82	357.58	0.32	-98.50
O=C(C1=CC(=O)[N-]O1)N1CCCC2CN(C(=O)C3=C[N-]N=CC3=O)CCC21	REAL300030140626	0	44	-2.0	-89.67	353.61	1.65	-88.02
O=C(C1=CC(=O)N[N-]1)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140697	0	43	-2.0	-89.58	340.09	0.15	-89.43
C[PH](C)([O-])C(=O)C(=O)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140702	0	48	-2.0	-91.81	379.18	1.01	-90.80
O=C(C1=CC(=O)[N-]O1)N1CCCC2CN(C(=O)C3=CC=CN([O-])C3=O)CCC21	REAL300030140727	0	46	-2.0	-106.60	369.91	3.79	-102.81
CC1SC(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300030140748	0	45	-2.0	-100.89	367.17	0.95	-99.94
CC1=C([O-])N=C(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030140748	1	45	-2.0	-100.89	367.17	0.95	-99.94
O=C(C1=CC(=O)[N-]O1)N1CCCC2CN(C(=O)C3=CC(=O)N([O-])C=C3)CCC21	REAL300030140766	0	46	-2.0	-99.54	370.97	3.83	-95.71
O=C(C1=CC(=O)[N-]O1)N1CCCC2CN(C(=O)C3=CC=CC(=O)N3[O-])CCC21	REAL300030140791	0	46	-2.0	-96.75	363.27	3.95	-92.80
O=C(CC1=NC([O-])=CS1)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030140910	0	45	-2.0	-104.48	370.23	-0.07	-104.55
CC1=CC(=O)C(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030141080	0	47	-2.0	-97.88	370.63	3.67	-94.21
O=C(C1=CC(=O)[N-]O1)N1CCCC2CN(C(=O)C3=NC(=O)N[N-]3)CCC21	REAL300030141091	0	42	-2.0	-94.11	334.89	-0.46	-94.57
CN1[N-]C(C(=O)N2CCC3C(CCCN3C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030141292	0	46	-2.0	-94.85	362.85	1.85	-93.00
O=C(C1=CC(=O)[N-]O1)N1CCCC2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)CCC21	REAL300030141398	0	44	-2.0	-90.94	356.32	-1.85	-92.79
O=C(C1=CC(=O)[N-]O1)N1CCCC2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)CCC21	REAL300030141398	1	44	-2.0	-90.94	356.32	-1.85	-92.79
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=NC=CC=C2O)C1	REAL300030141753	0	45	-2.0	-114.82	356.50	3.11	-111.71
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=NC=CC=C2[O-])C1	REAL300030141753	1	45	-2.0	-114.82	356.50	3.11	-111.71
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300030141850	0	44	-2.0	-95.90	352.44	-2.07	-97.97
O=C(CN1C(=O)[N-]NC1=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030141946	0	46	-2.0	-104.74	369.14	-0.54	-105.28
N#CC1=CC([O-])=CC(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)=C1	REAL300030142733	1	47	-2.0	-88.80	379.07	3.54	-85.26
O=C(C1=COC(=O)[N-]1)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030142791	1	42	-2.0	-86.29	335.76	0.35	-85.94
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CC=C([O-])C=C2F)C1	REAL300030142861	1	46	-2.0	-94.44	364.76	3.25	-91.19
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300030142866	0	45	-2.0	-88.63	361.23	2.41	-86.22
N#CC1=CC=C(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C=C1[O-]	REAL300030142868	1	47	-2.0	-99.99	378.39	3.60	-96.39
CC1=CC=C([O-])C(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)=N1	REAL300030142919	1	48	-2.0	-115.61	377.49	3.72	-111.89
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=C[N-]N=CC2=O)C1	REAL300030142931	0	44	-2.0	-82.24	348.75	1.71	-80.53
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300030142936	0	46	-2.0	-114.45	363.96	4.24	-110.21
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CC=CC([O-])=C2F)C1	REAL300030142997	1	46	-2.0	-109.46	364.25	3.11	-106.35
O=C(C1=CC(=O)N[N-]1)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143060	0	43	-2.0	-93.06	340.53	0.25	-92.81
C[PH](C)([O-])C(=O)C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143065	0	48	-2.0	-95.63	379.71	1.18	-94.45
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300030143117	0	46	-2.0	-107.54	364.14	3.71	-103.83
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=NC(=O)N[N-]2)C1	REAL300030143134	0	42	-2.0	-87.20	335.42	-0.36	-87.56
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CC=CN([O-])C2=O)C1	REAL300030143138	0	46	-2.0	-98.58	365.14	3.72	-94.86
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CC(F)=CC=C2O)C1	REAL300030143240	0	46	-2.0	-103.79	362.84	4.38	-99.41
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300030143240	1	46	-2.0	-103.79	362.84	4.38	-99.41
CC1=CC=NC(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)=C1O	REAL300030143284	0	48	-2.0	-104.13	373.17	4.41	-99.72
CC1=CC=NC(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)=C1[O-]	REAL300030143284	1	48	-2.0	-104.13	373.17	4.41	-99.72
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CN=CC(O)=C2)C1	REAL300030143347	0	45	-2.0	-98.14	353.22	1.31	-96.83
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CN=CC([O-])=C2)C1	REAL300030143347	1	45	-2.0	-98.14	353.22	1.31	-96.83
O=C(CC1=NC([O-])=CS1)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030143438	0	45	-2.0	-113.99	370.17	-0.15	-114.14
CC1=CC(=O)C(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)=N[N-]1	REAL300030143540	0	47	-2.0	-94.09	369.62	3.80	-90.29
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300030143553	0	46	-2.0	-129.42	363.06	4.22	-125.20
N#CC1=CC=C(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C(=O)[N-]1	REAL300030143569	0	46	-2.0	-87.20	369.39	1.53	-85.67
CN1N=C(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)[N-]C1=O	REAL300030143594	0	45	-2.0	-102.38	357.90	0.36	-102.02
N#CC1=CC=C([O-])C(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)=C1	REAL300030143630	0	47	-2.0	-100.29	377.27	4.73	-95.56
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300030143715	0	46	-2.0	-104.57	364.46	3.23	-101.34
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300030143715	1	46	-2.0	-104.57	364.46	3.23	-101.34
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300030143762	0	44	-2.0	-91.69	354.11	-2.40	-94.09
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300030143762	1	44	-2.0	-89.20	354.35	-1.50	-90.70
NC1=NC=C(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C(=O)[N-]1	REAL300030143793	1	46	-2.0	-88.61	363.61	0.37	-88.24
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CC=NC=C2[O-])C1	REAL300030143872	0	45	-2.0	-107.82	351.40	2.38	-105.44
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CC(=O)[N-]O2)C1	REAL300030143877	0	42	-2.0	-93.00	335.60	0.33	-92.67
CC1=C([O-])N=C(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)S1	REAL300030143891	1	45	-2.0	-91.90	367.64	1.07	-90.83
O=C(C(=O)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21)C1=CC=C([O-])C=C1	REAL300030143962	1	48	-2.0	-96.08	387.25	3.23	-92.85
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300030143994	0	46	-2.0	-92.63	364.11	-1.32	-93.95
CCN1[N-]C(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)=CC1=O	REAL300030144036	0	49	-2.0	-92.58	385.27	2.94	-89.64
CN1[N-]C(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)=CC1=O	REAL300030144048	0	46	-2.0	-91.67	363.45	2.01	-89.66
O=C(CC1=CC(=O)N[N-]1)N1CCCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC21	REAL300030144118	1	46	-2.0	-108.34	364.13	0.55	-107.79
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300030144122	1	46	-2.0	-97.09	364.42	3.26	-93.83
CC1=CN=C(C(=O)N2CCCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC32)C([O-])=C1	REAL300030144180	1	48	-2.0	-110.95	374.21	4.36	-106.59
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CC([O-])=CS2)C1	REAL300030144192	0	43	-2.0	-106.68	350.42	1.98	-104.70
O=C(C1=CC(=O)[N-]O1)N1CCC2C(CCCN2C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300030144203	0	46	-2.0	-107.81	363.77	3.72	-104.09
O=C(NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=COC(=O)[N-]1	REAL300030144628	1	48	-2.0	-90.87	380.16	-1.33	-92.20
O=C(NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC(=O)N[N-]1	REAL300030144719	0	49	-2.0	-90.00	384.56	-0.01	-90.01
O=C(NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=NC(=O)N[N-]1	REAL300030144801	0	48	-2.0	-89.77	379.95	-1.53	-91.30
O=C(NCC1CCCC12CCN(C(=O)C1=COC(=O)[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300030145275	1	48	-2.0	-92.22	380.68	0.33	-91.89
O=C(NCC1CCCC12CCN(C(=O)C1=CC(=O)N[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300030145339	0	49	-2.0	-89.11	385.14	0.28	-88.83
O=C(NCC1CCCC12CCN(C(=O)C1=NNC(=O)[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300030145353	0	48	-2.0	-92.56	379.99	-1.21	-93.77
O=C(NCC1CCCC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC(=O)[N-]O1	REAL300030145528	0	48	-2.0	-92.92	379.74	0.15	-92.77
O=C(N[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1CS(=O)(=O)C2)C1=COC(=O)[N-]1	REAL300030145895	1	39	-2.0	-102.64	346.72	-6.96	-109.60
O=C(N[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1CS(=O)(=O)C2)C1=CC(=O)N[N-]1	REAL300030145952	0	40	-2.0	-92.17	353.65	-5.89	-98.06
O=C(N[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1CS(=O)(=O)C2)C1=NC(=O)N[N-]1	REAL300030145998	0	39	-2.0	-102.84	346.20	-7.27	-110.11
O=C(N[C@@]12CN(C(=O)C3=COC(=O)[N-]3)C[C@@H]1CS(=O)(=O)C2)C1=CC(=O)[N-]O1	REAL300030146335	1	39	-2.0	-89.37	348.65	-5.66	-95.03
O=C(N[C@@]12CN(C(=O)C3=CC(=O)N[N-]3)C[C@@H]1CS(=O)(=O)C2)C1=CC(=O)[N-]O1	REAL300030146381	0	40	-2.0	-102.50	351.38	-5.61	-108.11
O=C(N[C@@]12CN(C(=O)C3=NC(=O)N[N-]3)C[C@@H]1CS(=O)(=O)C2)C1=CC(=O)[N-]O1	REAL300030146390	0	39	-2.0	-96.30	347.91	-6.22	-102.52
O=C(N[C@@]12CN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]1CS(=O)(=O)C2)C1=CC(=O)[N-]O1	REAL300030146509	0	39	-2.0	-102.14	348.08	-5.35	-107.49
O=C(NC1CCS(=O)(=O)C12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=COC(=O)[N-]1	REAL300030146835	1	39	-2.0	-104.04	356.89	-6.17	-110.21
O=C(NC1CCS(=O)(=O)C12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N[N-]1	REAL300030146892	0	40	-2.0	-98.18	361.71	-5.19	-103.37
O=C(NC1CCS(=O)(=O)C12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)N[N-]1	REAL300030146938	0	39	-2.0	-96.22	356.30	-6.49	-102.71
O=C(NC1CCS(=O)(=O)C12CN(C(=O)C1=COC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030147275	1	39	-2.0	-103.89	356.59	-5.59	-109.48
O=C(NC1CCS(=O)(=O)C12CN(C(=O)C1=CC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030147321	0	40	-2.0	-113.13	362.80	-4.76	-117.89
O=C(NC1CCS(=O)(=O)C12CN(C(=O)C1=NC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030147330	0	39	-2.0	-110.32	357.54	-5.80	-116.12
O=C(NC1CCS(=O)(=O)C12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)[N-]O1	REAL300030147449	0	39	-2.0	-100.14	356.52	-4.71	-104.85
O=C(C1=COC(=O)[N-]1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030147892	1	48	-2.0	-88.09	376.74	1.54	-86.55
O=C(C1=CC(=O)N[N-]1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030147983	0	49	-2.0	-87.22	382.03	1.51	-85.71
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=NC(=O)N[N-]3)CC2)CC1	REAL300030148065	0	48	-2.0	-87.86	376.39	0.82	-87.04
O=C(C1=COC(=O)[N-]1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148539	1	48	-2.0	-88.09	376.74	1.54	-86.55
O=C(C1=CC(=O)N[N-]1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148603	0	49	-2.0	-87.22	382.03	1.51	-85.71
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=NC(=O)N[N-]3)CC2)CC1	REAL300030148617	0	48	-2.0	-87.86	376.39	0.82	-87.04
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030148792	0	48	-2.0	-92.94	376.56	1.40	-91.54
C=CCC1(NC(=O)C2=NNC(=O)[N-]C2=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149679	0	44	-2.0	-94.24	367.33	-2.61	-96.85
C=CCC1(NC(=O)CN2C(=O)[N-]NC2=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030149732	0	46	-2.0	-93.63	382.02	-0.87	-94.50
C=CCC1(NC(=O)C2=CN([O-])C(=O)C=C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150087	0	46	-2.0	-102.67	378.10	3.56	-99.11
C=CCC1(NC(=O)C2=CC(=O)NC([O-])=C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150160	0	46	-2.0	-100.77	376.53	-1.53	-102.30
C=CCC1(NC(=O)C2=COC(=O)[N-]2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150171	1	42	-2.0	-101.62	350.48	-1.59	-103.21
C=CCC1(NC(=O)C2=CC(=O)N(CC)[N-]2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150281	0	49	-2.0	-98.44	399.87	2.05	-96.39
C=CCC1(NC(=O)CC2=CC(=O)N[N-]2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150287	1	46	-2.0	-94.30	377.02	0.17	-94.13
C=CCC1(NC(=O)C2=NN(C)C(=O)[N-]2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150310	0	45	-2.0	-99.08	373.08	-0.23	-99.31
C=CCC1(NC(=O)C2=C[N-]N=CC2=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150365	0	44	-2.0	-92.06	359.73	1.66	-90.40
C=CCC1(NC(=O)C2=CC(=O)N[N-]2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150428	0	43	-2.0	-95.57	355.32	-0.60	-96.17
C=CCC1(NC(=O)C(=O)[PH](C)(C)[O-])CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150432	0	48	-2.0	-93.01	390.26	0.90	-92.11
C=CCC1(NC(=O)CCC2=NNC(=O)[N-]2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150453	0	48	-2.0	-93.14	392.17	-0.37	-93.51
C=CCC1(NC(=O)C2=CC=CN([O-])C2=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150456	0	46	-2.0	-118.84	375.70	3.74	-115.10
C=CCC1(NC(=O)C2=NC(=O)C(C)S2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150476	0	45	-2.0	-107.76	382.54	-0.30	-108.06
C=CCC1(NC(=O)C2=NC([O-])=C(C)S2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150476	1	45	-2.0	-107.76	382.54	-0.30	-108.06
C=CCC1(NC(=O)C2=CC(=O)N([O-])C=C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150489	0	46	-2.0	-104.41	378.48	3.53	-100.88
C=CCC1(NC(=O)C2=CC=CC(=O)N2[O-])CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150510	0	46	-2.0	-112.55	375.85	4.51	-108.04
C=CCC1(NC(=O)CC2=NC([O-])=CS2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150609	0	45	-2.0	-105.82	382.83	-0.60	-106.42
C=CCC1(NC(=O)C2=N[N-]C(C)=CC2=O)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150755	0	47	-2.0	-111.79	382.44	2.92	-108.87
C=CCC1(NC(=O)C2=NNC(=O)[N-]2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150764	0	42	-2.0	-98.13	349.80	-2.05	-100.18
C=CCC1(NC(=O)C2=CC(=O)N(C)[N-]2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030150935	0	46	-2.0	-97.63	378.06	1.11	-96.52
C=CCC1(NC(=O)C2=NC(=O)[N-]C(=O)N2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030151023	0	44	-2.0	-93.17	369.55	-2.68	-95.85
C=CCC1(NC(=O)C2=NC(=O)NC(=O)[N-]2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030151023	1	44	-2.0	-93.17	369.55	-2.68	-95.85
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NC=CC=C2O)C1	REAL300030151363	0	45	-2.0	-112.25	370.45	3.15	-109.10
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300030151363	1	45	-2.0	-112.25	370.45	3.15	-109.10
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300030151466	0	44	-2.0	-101.08	367.50	-2.20	-103.28
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300030151574	0	46	-2.0	-101.29	384.30	-0.67	-101.96
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300030152510	1	47	-2.0	-88.84	394.63	3.14	-85.70
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300030152580	1	42	-2.0	-92.43	349.72	-0.04	-92.47
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300030152653	1	46	-2.0	-101.97	381.71	2.92	-99.05
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300030152658	0	45	-2.0	-97.50	378.40	2.36	-95.14
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300030152661	1	47	-2.0	-91.07	393.35	3.28	-87.79
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NC(C)=CC=C2[O-])C1	REAL300030152720	1	48	-2.0	-108.69	388.45	4.07	-104.62
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300030152732	0	44	-2.0	-85.93	362.62	1.33	-84.60
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300030152739	0	46	-2.0	-121.41	378.28	4.21	-117.20
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300030152811	1	46	-2.0	-118.02	378.58	2.89	-115.13
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300030152886	0	43	-2.0	-94.77	354.59	-0.13	-94.90
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300030152892	0	48	-2.0	-97.73	390.45	0.80	-96.93
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2=CC(=O)N(C)[N-]2)C1	REAL300030152896	0	49	-2.0	-108.98	402.81	2.15	-106.83
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300030152951	0	46	-2.0	-115.56	379.10	3.39	-112.17
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300030152968	0	42	-2.0	-91.67	350.39	-0.62	-92.29
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300030152973	0	46	-2.0	-98.10	377.47	3.28	-94.82
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1	REAL300030153060	0	46	-2.0	-105.06	379.97	-0.48	-105.54
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300030153093	1	46	-2.0	-110.04	381.97	3.37	-106.67
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NC=CC(C)=C2[O-])C1	REAL300030153140	1	48	-2.0	-125.63	385.89	4.07	-121.56
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300030153208	1	45	-2.0	-103.76	369.01	0.92	-102.84
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300030153310	0	45	-2.0	-121.31	385.90	-0.30	-121.61
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300030153323	0	46	-2.0	-109.93	385.82	3.23	-106.70
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300030153324	0	46	-2.0	-114.91	381.46	3.29	-111.62
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=N[N-]C(C)=CC2=O)C1	REAL300030153433	0	47	-2.0	-97.69	384.26	3.61	-94.08
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300030153451	0	46	-2.0	-97.58	378.46	3.65	-93.93
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300030153471	0	46	-2.0	-82.73	387.10	1.15	-81.58
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300030153501	0	45	-2.0	-101.57	373.17	0.19	-101.38
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C(C#N)C=C2[O-])C1	REAL300030153536	0	47	-2.0	-112.11	395.87	3.63	-108.48
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300030153542	0	47	-2.0	-106.25	396.40	3.71	-102.54
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300030153640	1	46	-2.0	-112.77	379.38	2.90	-109.87
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300030153698	0	44	-2.0	-89.90	369.52	-1.80	-91.70
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300030153698	1	44	-2.0	-89.90	369.52	-1.80	-91.70
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CN=C(N)NC2=O)C1	REAL300030153738	0	46	-2.0	-90.73	375.89	-0.01	-90.74
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300030153738	1	46	-2.0	-90.73	375.89	-0.01	-90.74
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030153835	0	42	-2.0	-98.14	350.52	0.07	-98.07
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NC([O-])=C(C)S2)C1	REAL300030153852	1	45	-2.0	-101.20	382.14	0.68	-100.52
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300030153931	1	48	-2.0	-103.63	400.10	2.80	-100.83
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300030153969	0	46	-2.0	-93.41	380.14	-1.57	-94.98
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(=O)N(CC)[N-]2)C1	REAL300030154014	0	49	-2.0	-98.50	399.13	2.50	-96.00
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300030154030	0	46	-2.0	-96.39	378.43	1.72	-94.67
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300030154120	1	46	-2.0	-106.13	380.05	0.42	-105.71
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300030154124	1	46	-2.0	-102.85	380.43	2.95	-99.90
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=NC=C(C)C=C2[O-])C1	REAL300030154193	1	48	-2.0	-114.15	391.90	3.78	-110.37
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CC([O-])=CS2)C1	REAL300030154206	0	43	-2.0	-107.18	364.88	1.80	-105.38
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300030154219	0	46	-2.0	-115.05	379.41	3.33	-111.72
CC12CC(NC(=O)C3=COC(=O)[N-]3)(C1)C1(CN(C(=O)C3=CC(=O)[N-]O3)C1)O2	REAL300030154956	1	41	-2.0	-89.31	359.04	-4.28	-93.59
CC12CC(NC(=O)CC3=CC(=O)N[N-]3)(C1)C1(CN(C(=O)C3=CC(=O)[N-]O3)C1)O2	REAL300030155030	1	45	-2.0	-93.66	385.00	-2.71	-96.37
CN1N=C(C(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030155037	0	44	-2.0	-107.73	379.19	-3.31	-111.04
CC12CC(NC(=O)C3=C[N-]N=CC3=O)(C1)C1(CN(C(=O)C3=CC(=O)[N-]O3)C1)O2	REAL300030155066	0	43	-2.0	-80.93	368.09	-1.11	-82.04
CC12CC(NC(=O)C3=CC(=O)N[N-]3)(C1)C1(CN(C(=O)C3=CC(=O)[N-]O3)C1)O2	REAL300030155099	0	42	-2.0	-86.14	363.87	-3.29	-89.43
CC12CC(NC(=O)C(=O)[PH](C)(C)[O-])(C1)C1(CN(C(=O)C3=CC(=O)[N-]O3)C1)O2	REAL300030155102	0	47	-2.0	-93.85	397.37	-1.19	-95.04
CC12CC(NC(=O)C3=NC(=O)N[N-]3)(C1)C1(CN(C(=O)C3=CC(=O)[N-]O3)C1)O2	REAL300030155261	0	41	-2.0	-87.98	358.47	-4.58	-92.56
CN1[N-]C(C(=O)NC23CC(C)(C2)OC32CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030155340	0	45	-2.0	-88.39	386.77	-1.61	-90.00
CC12CC(NC(=O)C3=CC(=O)[N-]O3)(C1)C1(CN(C(=O)C3=NC=CC=C3[O-])C1)O2	REAL300030155690	1	44	-2.0	-102.35	375.23	0.45	-101.90
CC12CC(NC(=O)C3=CC(=O)[N-]O3)(C1)C1(CN(C(=O)C3=COC(=O)[N-]3)C1)O2	REAL300030156250	1	41	-2.0	-89.51	358.75	-3.75	-93.26
CC12CC(NC(=O)C3=CC(=O)[N-]O3)(C1)C1(CN(C(=O)C3=C[N-]N=CC3=O)C1)O2	REAL300030156332	0	43	-2.0	-90.43	367.01	-0.45	-90.88
CC12CC(NC(=O)C3=CC(=O)[N-]O3)(C1)C1(CN(C(=O)C3=CC(=O)N[N-]3)C1)O2	REAL300030156405	0	42	-2.0	-88.24	363.77	-3.17	-91.41
CC12CC(NC(=O)C3=CC(=O)[N-]O3)(C1)C1(CN(C(=O)C(=O)[PH](C)(C)[O-])C1)O2	REAL300030156409	0	47	-2.0	-101.79	397.18	-1.15	-102.94
CC12CC(NC(=O)C3=CC(=O)[N-]O3)(C1)C1(CN(C(=O)C3=NC(=O)N[N-]3)C1)O2	REAL300030156443	0	41	-2.0	-89.04	358.32	-4.19	-93.23
CC12CC(NC(=O)C3=CC(=O)[N-]O3)(C1)C1(CN(C(=O)C3=CN=CC([O-])=C3)C1)O2	REAL300030156574	1	44	-2.0	-92.77	373.83	-1.95	-94.72
CN1N=C(C(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030156702	0	44	-2.0	-94.39	380.96	-2.94	-97.33
CC12CC(NC(=O)C3=CC(=O)[N-]O3)(C1)C1(CN(C(=O)C3=CC=NC=C3[O-])C1)O2	REAL300030156861	0	44	-2.0	-99.72	371.25	-0.24	-99.96
CC12CC(NC(=O)C3=CC(=O)[N-]O3)(C1)C1(CN(C(=O)C3=CC(=O)[N-]O3)C1)O2	REAL300030156864	0	41	-2.0	-91.29	358.78	-2.85	-94.14
CN1[N-]C(C(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030156959	0	45	-2.0	-90.95	386.57	-1.46	-92.41
CC12CC(NC(=O)C3=CC(=O)[N-]O3)(C1)C1(CN(C(=O)CC3=CC(=O)N[N-]3)C1)O2	REAL300030157013	1	45	-2.0	-111.10	385.58	-1.85	-112.95
CC12CC(NC(=O)C3=CC(=O)[N-]O3)(C1)C1(CN(C(=O)C3=CC([O-])=CS3)C1)O2	REAL300030157061	0	42	-2.0	-96.52	370.99	-1.06	-97.58
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300030157576	1	47	-2.0	-101.88	389.82	1.70	-100.18
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCCN1C(=O)[N-]NC1=O	REAL300030158288	0	48	-2.0	-99.25	401.44	-0.74	-99.99
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCC1=NNC(=O)[N-]C1=O	REAL300030158527	0	46	-2.0	-97.43	389.14	-3.46	-100.89
CC(=O)[N-]C1=NC(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300030158528	1	44	-2.0	-87.20	380.12	-0.17	-87.37
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCN1C=C[N-]C(=O)C1=O	REAL300030158707	1	47	-2.0	-97.97	394.89	0.68	-97.29
COC1=C(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300030158829	1	45	-2.0	-100.07	378.62	-2.23	-102.30
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=NNC(=O)[N-]C1=O	REAL300030158956	0	40	-2.0	-98.35	346.06	-3.48	-101.83
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CN1C(=O)[N-]NC1=O	REAL300030159084	0	42	-2.0	-101.56	358.92	-1.93	-103.49
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CN([O-])C(=O)C=C1	REAL300030160039	0	42	-2.0	-109.50	352.64	2.33	-107.17
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC(=O)NC([O-])=C1	REAL300030160223	0	42	-2.0	-90.02	353.10	-2.57	-92.59
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=COC(=O)[N-]1	REAL300030160236	1	38	-2.0	-89.53	325.17	-2.73	-92.26
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1C[N-]C(=O)C(F)(F)C(F)(F)F	REAL300030160367	1	37	-2.0	-97.48	334.42	2.05	-95.43
CCN1[N-]C(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030160487	0	45	-2.0	-99.32	379.04	1.22	-98.10
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1=CC(=O)N[N-]1	REAL300030160496	1	42	-2.0	-104.55	353.91	-0.89	-105.44
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC=CC(=S)N1[O-]	REAL300030160521	0	42	-2.0	-115.37	362.44	3.39	-111.98
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1SC(=O)[N-]C1=O	REAL300030160537	0	42	-2.0	-98.20	368.25	-2.36	-100.56
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=NN(C)C(=O)[N-]1	REAL300030160556	0	41	-2.0	-98.41	347.25	-1.53	-99.94
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=C[N-]N=CC1=O	REAL300030160684	0	40	-2.0	-91.67	338.27	0.69	-90.98
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300030160724	0	44	-2.0	-103.43	363.61	1.62	-101.81
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC(=O)N[N-]1	REAL300030160831	0	39	-2.0	-91.63	330.00	-1.74	-93.37
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C(=O)[PH](C)(C)[O-]	REAL300030160836	0	44	-2.0	-101.11	358.56	0.49	-100.62
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CCC1=NC(=O)[N-]N1	REAL300030160878	1	44	-2.0	-104.97	369.17	-1.86	-106.83
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC=CN([O-])C1=O	REAL300030160887	0	42	-2.0	-113.58	353.96	2.77	-110.81
CSC1=NC=C(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030160908	1	44	-2.0	-100.86	380.18	0.58	-100.28
CC1=C([O-])N=C(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300030160934	1	41	-2.0	-105.56	360.90	-1.32	-106.88
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300030160957	1	41	-2.0	-92.29	364.50	1.84	-90.45
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC(=O)N([O-])C=C1	REAL300030160982	0	42	-2.0	-109.09	353.02	2.32	-106.77
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC=CC(=O)N1[O-]	REAL300030161047	0	42	-2.0	-112.05	351.33	2.59	-109.46
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C[N-]C(=O)C(F)(F)F	REAL300030161231	0	41	-2.0	-97.12	364.59	-1.61	-98.73
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1=C([O-])N=C(N)S1	REAL300030161232	0	43	-2.0	-123.64	374.58	-2.48	-126.12
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CC1=NC([O-])=CS1	REAL300030161298	0	41	-2.0	-117.88	359.76	-1.61	-119.49
CCC1=NC=C(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030161325	1	46	-2.0	-99.87	378.98	1.05	-98.82
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CN1N=CC(=O)[N-]C1=O	REAL300030161338	0	43	-2.0	-110.65	369.26	-3.05	-113.70
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=C(Cl)C(=O)[N-]S1	REAL300030161423	0	38	-2.0	-95.09	351.91	-0.15	-95.24
COCC1=NC=C(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030161542	0	47	-2.0	-100.47	391.91	-0.71	-101.18
COCC1=NC=C(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030161542	1	47	-2.0	-100.47	391.91	-0.71	-101.18
CC1=CC(=O)C(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030161649	0	43	-2.0	-101.37	363.07	2.35	-99.02
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=NNC(=O)[N-]1	REAL300030161668	0	38	-2.0	-95.16	324.49	-3.19	-98.35
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300030161694	0	43	-2.0	-89.57	367.19	1.28	-88.29
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030161694	1	43	-2.0	-89.57	367.19	1.28	-88.29
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CN=C(C=N[O-])S1	REAL300030161842	0	41	-2.0	-103.62	369.73	0.14	-103.48
COC1=NC(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030161863	0	44	-2.0	-96.22	370.72	-3.72	-99.94
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC(=O)N(C)[N-]1	REAL300030162095	0	42	-2.0	-94.61	352.82	-0.03	-94.64
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300030162105	1	45	-2.0	-108.70	379.89	0.68	-108.02
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CSC1=NNC(=O)[N-]1	REAL300030162108	0	42	-2.0	-97.83	370.23	-1.70	-99.53
CC1=C(C(=O)NCC2C(C)CCN2C(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300030162109	1	44	-2.0	-103.57	380.49	-0.69	-104.26
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=NC(=O)[N-]C(=O)N1	REAL300030162338	0	40	-2.0	-89.75	343.13	-4.79	-94.54
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=NC(=O)NC(=O)[N-]1	REAL300030162338	1	40	-2.0	-94.73	338.34	-3.29	-98.02
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300030162417	0	44	-2.0	-99.35	380.14	-5.38	-104.73
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300030162417	1	44	-2.0	-94.37	380.08	-5.32	-99.69
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)CN1[N-]C(=O)C=CC1=O	REAL300030162570	0	44	-2.0	-102.85	375.03	-0.94	-103.79
CC1CCN(C(=O)C2=NC=CC=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030162827	1	41	-2.0	-108.95	336.25	3.07	-105.88
CC1CCN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030162943	1	47	-2.0	-96.86	398.09	0.82	-96.04
CC(=O)[N-]C1=NC(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300030162955	1	44	-2.0	-91.86	384.17	0.69	-91.17
CC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030162983	0	40	-2.0	-101.09	344.44	-3.33	-104.42
COC1=C(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300030163032	1	45	-2.0	-103.85	376.26	-1.97	-105.82
CC1CCN(C(=O)CN2C(=O)[N-]NC2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030163192	0	42	-2.0	-104.08	362.92	-1.72	-105.80
CC1CCN(C(=O)CCCN2C(=O)[N-]NC2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164110	0	48	-2.0	-101.97	404.67	-0.61	-102.58
CC1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030164311	1	47	-2.0	-97.04	385.17	0.73	-96.31
CC1CCN(C(=O)CCC2=NNC(=O)[N-]C2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165083	0	46	-2.0	-97.20	392.38	-3.33	-100.53
CC1CCN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165091	0	44	-2.0	-105.03	368.36	3.40	-101.63
CC1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165105	1	42	-2.0	-113.90	364.02	3.75	-110.15
CC1CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165136	1	43	-2.0	-94.12	363.10	1.93	-92.19
CC1CCN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165162	0	44	-2.0	-121.36	374.68	1.85	-119.51
CC1CCN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165213	0	44	-2.0	-125.57	373.00	4.55	-121.02
CCC1=NC=C(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030165242	1	46	-2.0	-103.31	382.87	0.88	-102.43
CC1CCN(C(=O)C2=COC(=O)[N-]2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165263	1	38	-2.0	-88.30	323.84	-1.46	-89.76
CC1CCN(C(=O)C[N-]C(=O)C(F)(F)F)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165364	0	41	-2.0	-95.37	357.69	-0.98	-96.35
CC1CCN(C(=O)CC2=C([O-])N=C(N)S2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165365	0	43	-2.0	-107.37	378.57	-2.24	-109.61
CC1CCN(C(=O)C2=CC=C([O-])C=C2F)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165392	1	42	-2.0	-106.45	349.13	1.86	-104.59
CC1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165401	0	41	-2.0	-95.26	353.26	1.22	-94.04
CC1CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165411	1	43	-2.0	-110.92	362.61	2.00	-108.92
CC1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165417	0	41	-2.0	-112.04	358.11	1.91	-110.13
CC1CCN(C(=O)C2=C(N)[N-]C(=O)C(C#N)=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165420	0	44	-2.0	-95.99	384.62	-0.75	-96.74
CC1CCN(C(=O)CN2N=CC(=O)[N-]C2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165436	0	43	-2.0	-99.70	373.26	-2.83	-102.53
CC1=CC=C([O-])C(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030165522	1	44	-2.0	-109.06	367.64	3.12	-105.94
CC1CCN(C(=O)C2=C[N-]N=CC2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165546	0	40	-2.0	-96.37	343.24	0.64	-95.73
CC1CCN(C(=O)C2=CC=CC(F)=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165557	0	42	-2.0	-123.93	353.22	3.30	-120.63
CC1CCN(C(=O)C2=CC=CC([O-])=C2F)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165674	1	42	-2.0	-119.60	353.52	1.98	-117.62
CC1CCN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165745	0	44	-2.0	-94.90	369.94	3.58	-91.32
CC1CCN(C(=O)C2=CC(=O)N[N-]2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165808	0	39	-2.0	-94.77	333.34	-1.06	-95.83
CC1CCN(C(=O)C(=O)[PH](C)(C)[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165815	0	44	-2.0	-93.81	358.63	0.59	-93.22
CC1CCN(C(=O)C(=O)C=C([O-])C2=CC=CC=N2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165842	0	47	-2.0	-111.14	401.10	3.44	-107.70
CC1CCN(C(=O)C2=CC(N)=C(F)C([O-])=C2F)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165870	0	44	-2.0	-121.51	372.95	0.05	-121.46
COCC1=NC=C(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030165875	1	47	-2.0	-104.18	395.80	-0.87	-105.05
CC1CCN(C(=O)C2=CC(F)=CC(F)=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165901	0	42	-2.0	-114.96	358.73	3.50	-111.46
CC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165928	0	42	-2.0	-120.02	349.85	2.33	-117.69
CC1CCN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165961	0	42	-2.0	-110.65	365.16	2.20	-108.45
CC1CCN(C(=O)C2=NC(=O)N[N-]2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165963	0	38	-2.0	-95.54	329.01	-1.90	-97.44
CC1CCN(C(=O)C2=CC=CN([O-])C2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030165975	0	42	-2.0	-101.19	349.73	1.68	-99.51
CC1CCN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166111	0	42	-2.0	-101.58	353.72	-1.72	-103.30
CC1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166175	0	42	-2.0	-98.41	358.39	2.15	-96.26
CC1CCN(C(=O)C2=CC(F)=CC=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166181	1	42	-2.0	-112.85	353.72	3.29	-109.56
CC1=CC=NC(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300030166266	1	44	-2.0	-110.13	366.44	3.19	-106.94
CC1CCN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166322	0	42	-2.0	-119.00	369.62	3.81	-115.19
CC1CCN(C(=O)C2=CN=CC([O-])=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166434	1	41	-2.0	-108.42	342.96	0.13	-108.29
CC1CCN(C(=O)C2=CC=CC(=S)N2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166446	0	42	-2.0	-144.15	362.99	4.24	-139.91
CC1CCN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166599	1	44	-2.0	-97.66	370.97	0.03	-97.63
CC1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166603	0	41	-2.0	-91.25	364.32	1.39	-89.86
CC1CCN(C(=O)C2=CC=C([O-])C=C2Cl)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166666	1	42	-2.0	-103.71	357.38	2.30	-101.41
CC1CCN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166668	0	45	-2.0	-112.25	379.89	1.64	-110.61
CC1CCN(C(=O)CC2=NC([O-])=CS2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166678	0	41	-2.0	-110.00	359.25	-1.65	-111.65
CC1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166701	0	44	-2.0	-102.44	369.60	-0.28	-102.72
CC1CCN(C(=O)C2=CC=C(F)C=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166704	0	42	-2.0	-123.67	348.80	3.10	-120.57
CC1CCN(C(=O)CC2SC(=O)[N-]C2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166823	0	42	-2.0	-90.82	370.95	-2.11	-92.93
CC1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166850	0	42	-2.0	-105.69	360.03	2.08	-103.61
CC1CCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166853	1	43	-2.0	-94.11	374.49	0.65	-93.46
CC1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166858	0	42	-2.0	-117.83	363.02	3.76	-114.07
CC1=CC(=O)C(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030166891	0	43	-2.0	-100.28	353.02	3.15	-97.13
CC1CCN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166896	0	47	-2.0	-112.83	385.25	2.77	-110.06
CC1CCN(C(=O)C2=CC=CC(=O)N2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166924	0	42	-2.0	-140.56	351.89	3.22	-137.34
CC1CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166960	0	42	-2.0	-95.55	359.26	0.21	-95.34
CC1CCN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166961	0	44	-2.0	-98.01	383.36	-5.25	-103.26
CC1CCN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166961	1	44	-2.0	-93.92	383.30	-5.21	-99.13
CC1CCN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030166990	0	44	-2.0	-97.32	378.13	3.40	-93.92
CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167030	0	41	-2.0	-103.28	350.49	-1.00	-104.28
CC1CCN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167064	0	44	-2.0	-102.37	372.33	-0.37	-102.74
CC1CCN(C(=O)C2=CC(C#N)=CC=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167106	0	43	-2.0	-109.29	367.82	3.68	-105.61
CC1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167227	0	42	-2.0	-100.90	353.93	0.00	-100.90
CC1CCN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167264	0	42	-2.0	-110.99	368.67	3.91	-107.08
CC1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167291	1	42	-2.0	-99.04	348.52	1.62	-97.42
CC1CCN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167299	1	47	-2.0	-131.12	387.08	3.83	-127.29
CC1CCN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167303	0	44	-2.0	-120.96	370.55	3.67	-117.29
CC1CCN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167306	0	44	-2.0	-104.62	375.14	3.93	-100.69
CC1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167317	1	42	-2.0	-123.32	359.11	3.55	-119.77
CC1CCN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167331	0	44	-2.0	-94.63	370.44	2.20	-92.43
CC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167403	0	40	-2.0	-96.80	347.25	-3.58	-100.38
CC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167403	1	40	-2.0	-92.03	346.62	-2.85	-94.88
CC1CCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167430	0	44	-2.0	-123.23	366.32	0.83	-122.40
CC1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167467	1	47	-2.0	-113.65	391.33	4.89	-108.76
CC1CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167468	0	38	-2.0	-98.39	349.93	-0.44	-98.83
CC1CCN(C(=O)C2=CN=C(N)[N-]C2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167487	1	42	-2.0	-103.61	356.28	-0.76	-104.37
CC1=C(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300030167518	0	45	-2.0	-91.42	373.98	2.61	-88.81
CC1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167538	0	42	-2.0	-118.32	359.99	2.04	-116.28
CC1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167595	0	42	-2.0	-100.37	364.45	2.20	-98.17
CC1CCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167599	1	43	-2.0	-95.79	368.12	1.51	-94.28
COC1=NC(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030167605	0	44	-2.0	-100.54	362.08	-2.11	-102.65
CC1CCN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167607	0	44	-2.0	-97.99	370.59	0.72	-97.27
CC1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167615	0	41	-2.0	-104.09	356.82	2.79	-101.30
CC1CCN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167621	1	45	-2.0	-104.70	390.19	3.16	-101.54
CC1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167654	0	42	-2.0	-95.95	358.29	2.10	-93.85
CC1CCN(C(=O)C2=CC=NC=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167664	0	41	-2.0	-117.93	341.22	1.56	-116.37
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167671	0	38	-2.0	-98.94	329.10	-0.97	-99.91
CC1=C([O-])N=C(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030167705	1	41	-2.0	-99.45	360.23	-0.37	-99.82
CC1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167773	1	48	-2.0	-124.49	391.23	5.68	-118.81
CC1CCN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167781	1	48	-2.0	-128.10	393.13	5.52	-122.58
CC1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167824	1	44	-2.0	-95.89	370.79	1.99	-93.90
CC1CCN(C(=O)C2=CN=C(C=N[O-])S2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167854	0	41	-2.0	-110.03	365.72	0.04	-109.99
CC1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167884	1	41	-2.0	-91.80	364.11	2.42	-89.38
CSC1=NC=C(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030167908	1	44	-2.0	-103.99	384.24	0.41	-103.58
CC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030167916	0	42	-2.0	-98.09	354.09	-2.33	-100.42
CCN1[N-]C(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030167993	0	45	-2.0	-101.57	369.13	1.98	-99.59
CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168011	0	42	-2.0	-98.21	356.97	0.59	-97.62
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168026	0	42	-2.0	-97.51	373.44	-1.52	-99.03
CC1CCN(C(=O)CC2=CC(=O)N[N-]2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168175	1	42	-2.0	-103.55	357.82	-0.74	-104.29
CC1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168182	1	42	-2.0	-101.16	348.59	1.65	-99.51
CC1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168235	0	42	-2.0	-102.38	360.79	1.96	-100.42
CC1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168240	0	41	-2.0	-117.50	357.42	1.93	-115.57
CC1=C(CC(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300030168257	0	48	-2.0	-110.80	400.73	1.76	-109.04
CC1=CN=C(C(=O)N2CCC(C)C2CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030168303	1	44	-2.0	-109.87	367.56	3.20	-106.67
CC1CCN(C(=O)C2=CC([O-])=CS2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168334	0	39	-2.0	-114.31	340.13	0.83	-113.48
CC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168354	0	42	-2.0	-121.40	349.62	2.35	-119.05
CC1CCN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030168360	0	42	-2.0	-110.36	368.53	3.96	-106.40
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CN([O-])C(=O)NC1=O	REAL300030168404	0	42	-2.0	-95.41	359.26	0.25	-95.16
CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1CNC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030168439	1	43	-2.0	-90.47	370.28	0.87	-89.60
O=C(C1=CC(=O)N[N-]1)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030168931	0	48	-2.0	-88.54	374.96	-1.47	-90.01
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CCN(C(=O)C3=NC(=O)N[N-]3)CC2)CC1	REAL300030169006	0	47	-2.0	-91.13	369.17	-2.18	-93.31
O=C(C1=CC(=O)N[N-]1)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169512	0	48	-2.0	-91.84	374.05	-1.66	-93.50
O=C(C1=CC(=O)[N-]O1)N1CCC(N2CCN(C(=O)C3=NC(=O)N[N-]3)CC2)CC1	REAL300030169525	0	47	-2.0	-85.55	369.16	-2.21	-87.76
O=C(C1=CC(=O)[N-]O1)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030169682	0	47	-2.0	-91.26	369.34	-1.61	-92.87
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300030170288	1	44	-2.0	-112.67	385.81	1.31	-111.36
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	REAL300030170595	0	44	-2.0	-88.54	378.01	0.75	-87.79
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCCN1C(=O)[N-]NC1=O	REAL300030171145	0	45	-2.0	-107.15	390.23	-0.58	-107.73
CC(C)CN1[N-]C(CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030171342	0	51	-2.0	-112.31	426.72	3.50	-108.81
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300030171436	0	43	-2.0	-102.07	377.97	-3.31	-105.38
CC(=O)[N-]C1=NC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030171437	1	41	-2.0	-91.41	369.72	0.80	-90.61
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300030171651	1	44	-2.0	-98.10	384.87	0.76	-97.34
COC1=C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030171796	1	42	-2.0	-99.43	372.90	-3.62	-103.05
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300030171947	0	37	-2.0	-97.14	331.86	-3.18	-100.32
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1C(=O)[N-]NC1=O	REAL300030172089	0	39	-2.0	-109.86	347.72	-1.81	-111.67
CC1=C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C(C)C)=N1	REAL300030172132	1	49	-2.0	-115.16	412.10	1.50	-113.66
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300030172270	0	43	-2.0	-108.61	380.86	1.05	-107.56
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300030173184	0	39	-2.0	-108.85	350.95	2.47	-106.38
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300030173391	0	39	-2.0	-96.30	343.36	-2.57	-98.87
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=COC(=O)[N-]1	REAL300030173407	1	35	-2.0	-92.08	315.43	-1.07	-93.15
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300030173470	1	47	-2.0	-112.84	401.55	1.85	-110.99
CCN1[N-]C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030173691	0	42	-2.0	-101.73	364.45	1.43	-100.30
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1=CC(=O)N[N-]1	REAL300030173702	1	39	-2.0	-100.76	343.95	-0.82	-101.58
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=CC(=S)N1[O-]	REAL300030173729	0	39	-2.0	-115.18	360.57	2.83	-112.35
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1SC(=O)[N-]C1=O	REAL300030173748	0	39	-2.0	-95.69	356.51	-2.33	-98.02
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300030173768	0	38	-2.0	-99.22	338.58	-1.03	-100.25
CC1=C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300030173900	1	47	-2.0	-115.41	403.86	1.73	-113.68
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=C[N-]N=CC1=O	REAL300030173916	0	37	-2.0	-89.16	334.21	0.33	-88.83
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300030173960	0	41	-2.0	-118.45	357.02	0.79	-117.66
CC1=C(CC(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300030173978	0	45	-2.0	-115.17	385.51	1.67	-113.50
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(=O)N[N-]1	REAL300030174087	0	36	-2.0	-97.73	319.88	-1.21	-98.94
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300030174092	0	41	-2.0	-89.95	353.42	0.04	-89.91
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1=CC(=O)N(C)[N-]1	REAL300030174095	0	42	-2.0	-103.33	366.78	0.90	-102.43
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=CN([O-])C1=O	REAL300030174146	0	39	-2.0	-107.43	348.65	2.37	-105.06
CSC1=NC=C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030174172	1	41	-2.0	-112.65	376.02	0.23	-112.42
CC1=C([O-])N=C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030174200	1	38	-2.0	-98.96	345.35	-0.38	-99.34
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300030174224	1	38	-2.0	-94.93	348.46	2.47	-92.46
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300030174252	0	39	-2.0	-110.98	343.05	2.22	-108.76
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300030174327	0	39	-2.0	-113.20	349.46	2.20	-111.00
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N-]C(=O)C(F)(F)F	REAL300030174545	0	38	-2.0	-97.70	353.02	-1.61	-99.31
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1=C([O-])N=C(N)S1	REAL300030174546	0	40	-2.0	-112.37	362.97	-2.35	-114.72
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1=NC([O-])=CS1	REAL300030174625	0	38	-2.0	-113.21	349.80	-1.53	-114.74
CCC1=NC=C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030174657	1	43	-2.0	-96.69	373.43	0.58	-96.11
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300030174671	0	40	-2.0	-104.31	358.49	-2.97	-107.28
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300030174771	0	35	-2.0	-102.37	334.57	-0.51	-102.88
COCC1=NC=C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030174911	1	44	-2.0	-95.69	382.86	-1.19	-96.88
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CN=C(CC2CC2)[N-]C1=O	REAL300030174926	1	47	-2.0	-94.43	401.11	2.15	-92.28
CC1=CC(=O)C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030175034	0	40	-2.0	-95.52	349.02	2.69	-92.83
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NC(=O)N[N-]1	REAL300030175057	0	35	-2.0	-91.87	315.90	-1.90	-93.77
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030175087	1	40	-2.0	-95.64	364.43	1.37	-94.27
CC1=NC2=NC=C(C(=O)N(C)CC3CN(C(=O)C4=CC(=O)[N-]O4)C3)C(=O)N2[N-]1	REAL300030175123	0	43	-2.0	-95.73	382.48	3.39	-92.34
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CN=C(C=N[O-])S1	REAL300030175250	0	38	-2.0	-106.60	354.23	-0.32	-106.92
COC1=NC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030175271	0	41	-2.0	-103.93	357.55	-2.43	-106.36
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300030175536	0	39	-2.0	-100.79	342.72	0.50	-100.29
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300030175546	1	42	-2.0	-113.77	365.46	0.18	-113.59
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300030175550	0	39	-2.0	-96.00	360.22	-1.58	-97.58
CC1=C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300030175551	1	41	-2.0	-120.23	373.28	-0.17	-120.40
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300030175816	0	37	-2.0	-97.82	332.25	-3.41	-101.23
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300030175816	1	37	-2.0	-89.45	332.06	-2.39	-91.84
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300030175916	0	41	-2.0	-101.64	369.56	-5.31	-106.95
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300030175916	1	41	-2.0	-98.09	369.73	-5.24	-103.33
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300030176095	0	41	-2.0	-111.17	363.42	-0.87	-112.04
CN(CC1CN(C(=O)C2=NC=CC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176340	1	38	-2.0	-106.35	331.89	2.18	-104.17
CN(CC1CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176470	1	44	-2.0	-101.80	383.08	0.73	-101.07
CC(=O)[N-]C1=NC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030176488	1	41	-2.0	-98.35	369.62	0.37	-97.98
CN(CC1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176529	0	37	-2.0	-97.78	331.49	-3.46	-101.24
COC1=C(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030176599	1	42	-2.0	-98.18	363.94	-2.23	-100.41
CN(CC1CN(C(=O)CN2C(=O)[N-]NC2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176812	0	39	-2.0	-97.01	346.48	-1.78	-98.79
CN(CC1CN(C(=O)CN2[N-]C=C3C2=NC=NC3=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030176882	0	43	-2.0	-96.51	380.65	1.00	-95.51
CN(CC1CN(C(=O)CCCN2C(=O)[N-]NC2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178080	0	45	-2.0	-94.50	389.66	-0.57	-95.07
CC(C)CN1[N-]C(CC(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030178291	0	51	-2.0	-101.30	424.08	3.09	-98.21
CN(CC1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178351	1	44	-2.0	-108.43	385.06	1.37	-107.06
CN(CC1CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030178605	0	44	-2.0	-93.43	381.91	0.35	-93.08
CC1=C(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C(C)C)=N1	REAL300030179160	1	49	-2.0	-108.17	412.61	1.61	-106.56
CN(CC1CN(C(=O)CCC2=NNC(=O)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179506	0	43	-2.0	-93.77	377.32	-3.42	-97.19
CN(CC1CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179516	0	41	-2.0	-98.22	361.77	3.48	-94.74
CN(CC1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179535	1	39	-2.0	-104.79	352.93	3.71	-101.08
CN(CC1CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179576	1	40	-2.0	-96.71	356.67	2.02	-94.69
CN(CC1CN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179613	0	41	-2.0	-110.60	364.76	1.69	-108.91
CN(CC1CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179685	0	41	-2.0	-114.70	362.24	4.51	-110.19
CCC1=NC=C(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030179724	1	43	-2.0	-103.72	373.33	0.78	-102.94
CN(CC1CN(C(=O)C2=COC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179754	1	35	-2.0	-102.85	314.42	-2.03	-104.88
CN(CC1CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179851	0	41	-2.0	-113.49	364.60	3.27	-110.22
CN(CC1CN(C(=O)C[N-]C(=O)C(F)(F)F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179871	0	38	-2.0	-94.64	350.93	-1.49	-96.13
CN(CC1CN(C(=O)CC2=C([O-])N=C(N)S2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179872	0	40	-2.0	-115.81	363.79	-2.38	-118.19
CN(CC1CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179885	0	39	-2.0	-95.39	354.67	2.00	-93.39
CN(CC1CN(C(=O)C2=CC=C([O-])C=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179918	1	39	-2.0	-97.95	341.28	1.84	-96.11
CN(CC1CN(C(=O)C2=CC([O-])=C3SC=CC3=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179929	1	42	-2.0	-100.08	372.71	3.00	-97.08
CN(CC1CN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179932	0	38	-2.0	-100.48	339.68	1.23	-99.25
CN(CC1CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179947	1	40	-2.0	-101.69	355.11	2.07	-99.62
CN(CC1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179953	0	38	-2.0	-99.88	345.13	2.00	-97.88
CN(CC1CN(C(=O)C2=C(N)[N-]C(=O)C(C#N)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179962	0	41	-2.0	-94.73	370.94	-1.00	-95.73
CN(CC1CN(C(=O)CN2N=CC(=O)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030179983	0	40	-2.0	-99.44	356.82	-2.91	-102.35
CC1=CC=C([O-])C(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030180096	1	41	-2.0	-106.68	353.38	2.89	-103.79
CN(CC1CN(C(=O)CCC2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180100	0	41	-2.0	-95.57	357.45	-1.27	-96.84
CN(CC1CN(C(=O)C2=C[N-]N=CC2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180129	0	37	-2.0	-96.34	322.93	1.40	-94.94
CN(CC1CN(C(=O)C2=CC=CC(F)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180144	0	39	-2.0	-114.24	342.48	3.21	-111.03
CN(CC1CN(C(=O)C2=CC=CC([O-])=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180302	1	39	-2.0	-110.57	342.71	1.76	-108.81
CN(CC1CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180400	0	41	-2.0	-102.41	360.94	3.44	-98.97
CN(CC1CN(C(=O)C2=CC(=O)N[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180479	0	36	-2.0	-93.08	320.23	-1.40	-94.48
CN(CC1CN(C(=O)C(=O)[PH](C)(C)[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180487	0	41	-2.0	-93.45	353.16	0.04	-93.41
CN(CC1CN(C(=O)C(=O)C=C([O-])C2=CC=CC=N2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180522	0	44	-2.0	-116.56	387.07	3.33	-113.23
CN(CC1CN(C(=O)C2=CN=C(CC3CC3)NC2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180546	0	47	-2.0	-103.89	404.25	2.38	-101.51
CN(CC1CN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180546	1	47	-2.0	-103.89	404.25	2.38	-101.51
COCC1=NC=C(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030180572	0	44	-2.0	-106.37	387.16	-1.04	-107.41
COCC1=NC=C(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030180572	1	44	-2.0	-106.37	387.16	-1.04	-107.41
CC1=CC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300030180582	0	44	-2.0	-98.83	380.97	4.17	-94.66
CN(CC1CN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180648	0	39	-2.0	-109.15	341.55	2.20	-106.95
CN(CC1CN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180689	0	39	-2.0	-102.17	354.35	1.89	-100.28
CN(CC1CN(C(=O)C2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180691	0	35	-2.0	-96.85	314.86	-2.87	-99.72
CN(CC1CN(C(=O)C2=C(O)C=CC=C2Cl)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180696	0	39	-2.0	-97.96	358.64	2.42	-95.54
CN(CC1CN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180696	1	39	-2.0	-97.96	358.64	2.42	-95.54
CN(CC1CN(C(=O)C2=CC=CN([O-])C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180706	0	39	-2.0	-116.35	348.55	2.55	-113.80
CN(CC1CN(C(=O)C2=C(F)C=CC(O)=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180755	0	39	-2.0	-95.59	355.52	2.01	-93.58
CN(CC1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180755	1	39	-2.0	-95.59	355.52	2.01	-93.58
CC1=NC2=NC=C(C(=O)N3CC(CN(C)C(=O)C4=CC(=O)[N-]O4)C3)C(=O)N2[N-]1	REAL300030180850	0	43	-2.0	-103.40	381.46	3.43	-99.97
CN(CC1CN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180900	0	39	-2.0	-101.99	343.48	-1.77	-103.76
CN(CC1CN(C(=O)CN2C=C(C#N)C(=O)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180916	0	42	-2.0	-109.60	382.88	-0.65	-110.25
CN(CC1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030180993	0	39	-2.0	-95.53	350.93	2.21	-93.32
CN(CC1CN(C(=O)C2=CC(F)=CC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181002	1	39	-2.0	-104.03	342.60	3.25	-100.78
CC1=CC=NC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300030181118	1	41	-2.0	-105.94	351.23	2.83	-103.11
CN(CC1CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181187	0	39	-2.0	-109.38	358.58	3.75	-105.63
CN(CC1CN(C(=O)C2=CN=CC([O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181328	1	38	-2.0	-94.62	329.93	-0.15	-94.77
CN(CC1CN(C(=O)C2=CC=CC(=S)N2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181344	0	39	-2.0	-128.69	349.51	4.29	-124.40
CN(CC1CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181519	1	47	-2.0	-107.98	400.92	1.92	-106.06
CN(CC1CN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181538	1	41	-2.0	-96.73	363.67	0.11	-96.62
CN(CC1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181543	0	38	-2.0	-89.93	350.19	0.98	-88.95
CN(CC1CN(C(=O)C2=CC([N+](=O)[O-])=C([O-])C=C2N)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181621	0	43	-2.0	-96.83	374.84	1.74	-95.09
CN(CC1CN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181628	1	39	-2.0	-97.42	349.65	2.31	-95.11
CN(CC1CN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181631	0	42	-2.0	-103.02	369.97	1.48	-101.54
CN(CC1CN(C(=O)CC2=NC([O-])=CS2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181646	0	38	-2.0	-106.48	347.32	-1.45	-107.93
CN(CC1CN(C(=O)C2=C([O-])C=CC=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181674	0	39	-2.0	-107.59	349.15	2.04	-105.55
CN(CC1CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181678	0	41	-2.0	-99.53	364.25	-0.78	-100.31
CN(CC1CN(C(=O)C2=CC=C(F)C=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181683	0	39	-2.0	-102.36	341.04	3.39	-98.97
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030181743	0	42	-2.0	-110.06	367.31	2.66	-107.40
CN(CC1CN(C(=O)CC2SC(=O)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181856	0	39	-2.0	-90.04	356.65	-2.19	-92.23
CN(CC1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181890	0	39	-2.0	-100.01	348.91	1.91	-98.10
CN(CC1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181894	1	40	-2.0	-94.83	365.75	0.47	-94.36
CN(CC1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181901	0	39	-2.0	-108.64	352.28	3.67	-104.97
CC1=CC(=O)C(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030181945	0	40	-2.0	-97.65	348.68	2.40	-95.25
CN(CC1CN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181950	0	44	-2.0	-107.97	379.63	2.16	-105.81
CN(CC1CN(C(=O)C2=CC=CC(=O)N2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030181989	0	39	-2.0	-126.21	338.40	3.25	-122.96
CN(CC1CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182039	0	39	-2.0	-103.14	359.16	0.21	-102.93
CN(CC1CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182040	0	41	-2.0	-99.49	368.36	-5.18	-104.67
CN(CC1CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182040	1	41	-2.0	-93.00	368.30	-5.13	-98.13
CN(CC1CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182072	0	41	-2.0	-91.62	366.45	3.42	-88.20
CN(CC1CN(C(=O)C2=NN(C)C(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182122	0	38	-2.0	-99.82	337.69	-1.21	-101.03
CN(CC1CN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182169	0	41	-2.0	-94.77	363.54	-0.50	-95.27
CN(CC1CN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182216	0	40	-2.0	-105.95	358.61	0.18	-105.77
CN(CC1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182216	1	40	-2.0	-105.95	358.61	0.18	-105.77
CN(CC1CN(C(=O)C2=CC(C#N)=CC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182231	0	40	-2.0	-100.96	357.04	3.62	-97.34
CN(CC1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182394	0	39	-2.0	-97.83	354.57	-0.09	-97.92
CN(CC1CN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182438	0	39	-2.0	-101.07	358.77	3.76	-97.31
CN(CC1CN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182478	1	39	-2.0	-106.00	341.18	1.70	-104.30
CN(CC1CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182488	1	44	-2.0	-119.60	377.02	3.70	-115.90
CN(CC1CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182492	0	41	-2.0	-98.39	362.80	3.99	-94.40
CN(CC1CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182496	0	41	-2.0	-96.94	363.57	3.96	-92.98
CN(CC1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182510	1	39	-2.0	-102.41	351.37	3.84	-98.57
CN(CC1CN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182542	0	41	-2.0	-90.26	364.01	2.29	-87.97
CN(CC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182651	0	37	-2.0	-95.59	333.03	-4.16	-99.75
CN(CC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182651	1	37	-2.0	-96.84	332.63	-3.43	-100.27
CN(CC1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182701	0	41	-2.0	-113.14	356.33	0.75	-112.39
CN(CC1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182750	1	44	-2.0	-111.42	377.09	4.53	-106.89
CN(CC1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182751	0	35	-2.0	-94.28	336.05	-0.38	-94.66
CN(CC1CN(C(=O)C2=CN=C(N)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182780	1	39	-2.0	-106.92	347.60	-0.96	-107.88
CC1=C(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300030182823	0	42	-2.0	-102.74	369.26	1.66	-101.08
CN(CC1CN(C(=O)C2=CC=C(F)C([O-])=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182852	0	39	-2.0	-109.72	348.88	1.88	-107.84
CN(CC1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182925	0	39	-2.0	-94.25	358.00	2.29	-91.96
CN(CC1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182934	1	40	-2.0	-92.39	355.93	1.18	-91.21
COC1=NC(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030182941	0	41	-2.0	-97.38	359.28	-3.15	-100.53
CN(CC1CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182944	0	41	-2.0	-105.65	364.12	0.46	-105.19
CN(CC1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182957	0	38	-2.0	-101.37	347.11	2.66	-98.71
CN(CC1CN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030182964	1	42	-2.0	-97.57	379.09	3.27	-94.30
CN(CC1CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183016	0	39	-2.0	-102.06	350.97	2.18	-99.88
CN(CC1CN(C(=O)C2=CC=NC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183028	0	38	-2.0	-106.80	328.97	1.52	-105.28
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183038	0	35	-2.0	-97.04	315.26	-1.06	-98.10
CC1=C([O-])N=C(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030183089	1	38	-2.0	-100.12	346.88	-1.03	-101.15
CN(CC1CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183151	1	45	-2.0	-104.67	388.09	4.18	-100.49
CN(CC1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183170	1	45	-2.0	-113.41	381.18	5.55	-107.86
CN(CC1CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183179	1	45	-2.0	-117.65	381.49	5.56	-112.09
CN(CC1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183238	1	41	-2.0	-96.18	357.89	1.86	-94.32
CN(CC1CN(C(=O)C2=CN=C(C=N[O-])S2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183278	0	38	-2.0	-104.78	353.73	-0.13	-104.91
CN(CC1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183316	1	38	-2.0	-89.62	349.90	2.01	-87.61
CSC1=NC=C(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030183347	1	41	-2.0	-107.84	375.54	0.21	-107.63
CN(CC1CN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183357	0	39	-2.0	-97.30	339.66	-2.65	-99.95
CCN1[N-]C(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030183455	0	42	-2.0	-99.95	364.22	1.32	-98.63
CN(CC1CN(C(=O)CNC(=O)C2=NC=CC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183467	1	45	-2.0	-107.78	392.45	0.45	-107.33
CN(CC1CN(C(=O)C2=CC(=O)N(C)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183481	0	39	-2.0	-99.34	342.41	0.38	-98.96
CN(CC1CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183495	1	42	-2.0	-114.31	366.78	0.28	-114.03
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183500	0	39	-2.0	-96.50	358.44	-1.52	-98.02
CC1=C(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300030183502	1	41	-2.0	-110.30	371.37	-0.27	-110.57
CC1=C(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300030183513	1	47	-2.0	-108.88	402.46	1.79	-107.09
CN(CC1CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183580	1	44	-2.0	-108.69	381.44	2.36	-106.33
CN(CC1CN(C(=O)CC2=CC(=O)N[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183708	1	39	-2.0	-101.41	343.13	-0.79	-102.20
CN(CC1CN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183715	1	39	-2.0	-99.36	341.14	1.74	-97.62
CN(CC1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183789	0	39	-2.0	-100.20	346.30	1.86	-98.34
CN(CC1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183795	0	38	-2.0	-103.98	344.44	2.03	-101.95
CC1=C(CC(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300030183820	0	45	-2.0	-101.75	384.35	1.66	-100.09
CN(CC1CN(C(=O)CCC(=O)C2=CC=C([O-])C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183832	1	47	-2.0	-95.13	404.54	3.38	-91.75
CC1=CN=C(C(=O)N2CC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030183876	1	41	-2.0	-107.73	353.34	2.81	-104.92
CN(CC1CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183895	0	40	-2.0	-104.99	368.32	-0.20	-105.19
CN(CC1CN(C(=O)C2=CC([O-])=CS2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183921	0	36	-2.0	-102.45	327.34	0.79	-101.66
CN(CC1CN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183949	0	39	-2.0	-109.35	340.79	2.21	-107.14
CN(CC1CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030183957	0	39	-2.0	-101.04	357.83	3.88	-97.16
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300030184015	0	39	-2.0	-99.09	350.31	-0.24	-99.33
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030184055	1	40	-2.0	-84.13	362.66	0.32	-83.81
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C2CC2)[N-]C1=O	REAL300030184546	1	48	-2.0	-110.20	397.02	3.65	-106.55
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300030185513	0	41	-2.0	-96.93	360.51	-3.43	-100.36
O=C(CN1C(=O)[N-]NC1=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030185615	0	43	-2.0	-100.52	373.52	-1.77	-102.29
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300030186322	0	43	-2.0	-108.79	371.59	2.69	-106.10
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300030186453	0	43	-2.0	-88.22	371.25	-2.18	-90.40
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300030186464	1	39	-2.0	-88.49	344.12	-2.37	-90.86
O=C([N-]CC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300030186567	1	38	-2.0	-96.63	344.38	2.75	-93.88
CCN1[N-]C(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030186657	0	46	-2.0	-94.50	393.49	1.26	-93.24
O=C(CC1=CC(=O)N[N-]1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186665	1	43	-2.0	-102.92	368.74	-0.73	-103.65
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=S)N1[O-]	REAL300030186685	0	43	-2.0	-123.46	369.19	5.61	-117.85
O=C(CC1SC(=O)[N-]C1=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186696	0	43	-2.0	-90.20	381.87	-2.22	-92.42
CN1N=C(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030186713	0	42	-2.0	-96.20	365.33	-1.16	-97.36
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300030186810	0	41	-2.0	-98.14	345.75	2.42	-95.72
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC=C2N=NN([O-])C2=C1	REAL300030186846	0	45	-2.0	-107.54	388.14	1.20	-106.34
CC1=C(CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300030186856	0	49	-2.0	-103.53	411.33	1.68	-101.85
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300030186931	0	40	-2.0	-89.53	348.08	-1.37	-90.90
C[PH](C)([O-])C(=O)C(=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186936	0	45	-2.0	-91.31	381.87	-0.08	-91.39
CN1[N-]C(CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030186939	0	46	-2.0	-106.75	392.48	1.00	-105.75
O=C(CCC1=NC(=O)[N-]N1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030186968	1	45	-2.0	-99.34	384.00	-1.70	-101.04
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300030186973	0	43	-2.0	-123.65	361.17	4.52	-119.13
CC1=C([O-])N=C(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300030187008	1	42	-2.0	-93.33	374.62	-1.24	-94.57
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)[N-]1	REAL300030187022	1	42	-2.0	-87.59	379.10	1.92	-85.67
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300030187042	0	43	-2.0	-107.17	371.10	2.71	-104.46
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300030187085	0	43	-2.0	-119.81	358.09	4.59	-115.22
O=C(C[N-]C(=O)C(F)(F)F)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187223	0	42	-2.0	-90.89	378.20	-1.49	-92.38
NC1=NC([O-])=C(CC(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300030187224	0	44	-2.0	-115.58	390.30	-2.31	-117.89
O=C(CC1=NC([O-])=CS1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187276	0	42	-2.0	-115.99	374.37	-1.44	-117.43
CCC1=NC=C(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030187297	1	47	-2.0	-107.86	386.20	3.00	-104.86
O=C(CN1N=CC(=O)[N-]C1=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187308	0	44	-2.0	-106.98	384.99	-2.88	-109.86
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=C(Cl)C(=O)[N-]S1	REAL300030187373	0	39	-2.0	-90.06	365.64	-0.07	-90.13
CC1=CC(=O)C(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030187548	0	44	-2.0	-97.19	377.67	2.43	-94.76
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300030187564	0	39	-2.0	-88.10	342.68	-2.65	-90.75
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C=N[O-])S1	REAL300030187698	0	42	-2.0	-100.53	383.46	0.23	-100.30
COC1=NC(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030187714	0	45	-2.0	-94.06	388.80	-3.35	-97.41
CN1[N-]C(C(=O)NCC2CC3(CC3)CN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030187893	0	43	-2.0	-93.53	371.76	0.33	-93.20
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030187901	0	43	-2.0	-94.67	385.06	-1.54	-96.21
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300030188076	0	41	-2.0	-88.72	361.20	-4.42	-93.14
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300030188076	1	41	-2.0	-85.39	361.85	-3.65	-89.04
O=C(CN1[N-]C(=O)C=CC1=O)NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030188245	0	45	-2.0	-101.49	389.64	-0.78	-102.27
O=C(NCC1CC2(CC2)CN1C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030188499	1	42	-2.0	-106.26	359.74	2.65	-103.61
O=C(NCC1CC2(CC2)CN1C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300030188623	0	41	-2.0	-95.41	359.31	-3.14	-98.55
O=C(CN1C(=O)[N-]NC1=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030188788	0	43	-2.0	-98.59	377.42	-1.65	-100.24
O=C(NCC1CC2(CC2)CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300030189606	1	48	-2.0	-103.96	402.97	2.24	-101.72
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(Cl)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030190168	1	43	-2.0	-114.64	373.98	4.60	-110.04
N#CC1=CC([O-])=CC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030190193	1	44	-2.0	-93.92	380.40	2.91	-91.01
CCC1=NC=C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030190272	1	47	-2.0	-102.45	391.91	1.65	-100.80
O=C(NCC1CC2(CC2)CN1C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030190289	1	39	-2.0	-87.92	342.97	-1.10	-89.02
O=C(C[N-]C(=O)C(F)(F)F)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190363	0	42	-2.0	-90.44	381.70	-1.38	-91.82
NC1=NC([O-])=C(CC(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030190364	0	44	-2.0	-112.11	392.61	-2.17	-114.28
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300030190385	1	43	-2.0	-103.40	363.95	2.82	-100.58
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300030190391	0	42	-2.0	-88.33	368.07	1.39	-86.94
N#CC1=CC=C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300030190399	1	44	-2.0	-94.49	379.71	2.98	-91.51
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(Cl)=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300030190403	0	42	-2.0	-111.60	369.33	2.65	-108.95
N#CC1=CC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=C(N)[N-]C1=O	REAL300030190406	0	45	-2.0	-98.12	394.99	0.00	-98.12
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190420	0	44	-2.0	-103.18	387.30	-2.76	-105.94
CC1=CC=C([O-])C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030190484	1	45	-2.0	-107.33	381.33	3.22	-104.11
O=C(NCC1CC2(CC2)CN1C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300030190503	0	41	-2.0	-94.74	350.43	1.35	-93.39
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300030190511	0	43	-2.0	-124.28	363.48	4.14	-120.14
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300030190604	1	43	-2.0	-119.91	363.80	2.81	-117.10
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300030190709	0	40	-2.0	-89.72	347.82	-1.01	-90.73
C[PH](C)([O-])C(=O)C(=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030190714	0	45	-2.0	-91.25	387.75	0.09	-91.16
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030190805	0	43	-2.0	-117.24	365.36	3.08	-114.16
O=C(NCC1CC2(CC2)CN1C(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300030190834	0	39	-2.0	-88.40	342.67	-1.72	-90.12
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300030190840	0	43	-2.0	-113.31	367.27	3.35	-109.96
NC1=CC(=O)[N-]C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030190943	0	43	-2.0	-99.78	371.89	-1.32	-101.10
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=C([O-])C(Cl)=C1)C1=CC(=O)[N-]O1	REAL300030190992	0	43	-2.0	-98.33	375.52	3.12	-95.21
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030190997	1	43	-2.0	-113.58	363.66	4.15	-109.43
CC1=CC=NC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300030191059	1	45	-2.0	-106.17	380.06	3.34	-102.83
O=C(NCC1CC2(CC2)CN1C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030191174	1	42	-2.0	-109.00	354.50	0.70	-108.30
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=CC(=S)N1[O-])C1=CC(=O)[N-]O1	REAL300030191184	0	43	-2.0	-141.15	374.28	4.86	-136.29
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=C([O-])C(Cl)=N1)C1=CC(=O)[N-]O1	REAL300030191297	0	42	-2.0	-84.64	378.03	1.52	-83.12
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=C([O-])C=C1Cl)C1=CC(=O)[N-]O1	REAL300030191341	1	43	-2.0	-101.24	372.10	3.28	-97.96
N#CC1=CC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=C([O-])C=C1N	REAL300030191342	0	46	-2.0	-111.83	391.01	2.37	-109.46
O=C(CC1=NC([O-])=CS1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191349	0	42	-2.0	-112.00	377.79	-1.30	-113.30
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191363	0	45	-2.0	-99.39	393.55	-0.67	-100.06
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300030191365	0	43	-2.0	-117.44	363.66	4.14	-113.30
O=C(CC1SC(=O)[N-]C1=O)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191459	0	43	-2.0	-89.75	385.05	-2.06	-91.81
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=C([O-])C(F)=C1F)C1=CC(=O)[N-]O1	REAL300030191480	0	43	-2.0	-105.75	370.02	2.90	-102.85
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300030191487	0	43	-2.0	-118.16	373.28	4.60	-113.56
CC1=CC(=O)C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030191513	0	44	-2.0	-95.59	376.50	2.71	-92.88
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030191516	0	48	-2.0	-110.90	408.31	2.35	-108.55
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300030191535	0	43	-2.0	-137.78	363.17	3.89	-133.89
N#CC1=CC=C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030191558	0	43	-2.0	-97.41	378.80	1.11	-96.30
CN1N=C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030191608	0	42	-2.0	-96.83	365.34	-0.82	-97.65
[N-]=[N+]=NC1=CC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC=C1[O-]	REAL300030191631	0	45	-2.0	-100.12	387.49	0.41	-99.71
N#CC1=CC=C([O-])C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030191667	0	44	-2.0	-109.50	378.11	4.48	-105.02
O=C(NCC1CC2(CC2)CN1C(=O)C1=CN([O-])C(=O)NC1=O)C1=CC(=O)[N-]O1	REAL300030191759	0	43	-2.0	-100.41	372.18	0.82	-99.59
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=C(F)C(O)=C1)C1=CC(=O)[N-]O1	REAL300030191809	0	43	-2.0	-98.99	365.75	2.60	-96.39
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300030191809	1	43	-2.0	-98.99	365.75	2.60	-96.39
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=C(Cl)C=C1O)C1=CC(=O)[N-]O1	REAL300030191826	0	43	-2.0	-117.31	373.98	4.59	-112.72
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=C(Cl)C=C1[O-])C1=CC(=O)[N-]O1	REAL300030191826	1	43	-2.0	-117.31	373.98	4.59	-112.72
O=C(NCC1CC2(CC2)CN1C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300030191891	0	41	-2.0	-85.54	361.45	-2.67	-88.21
O=C(NCC1CC2(CC2)CN1C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030191891	1	41	-2.0	-85.54	361.45	-2.67	-88.21
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=C2N=NN([O-])C2=C1)C1=CC(=O)[N-]O1	REAL300030191905	0	45	-2.0	-117.82	381.79	1.58	-116.24
O=C(NCC1CC2(CC2)CN1C(=O)C1=C(Cl)C(=O)[N-]S1)C1=CC(=O)[N-]O1	REAL300030191934	0	39	-2.0	-90.94	363.57	-0.35	-91.29
NC1=NC=C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030191948	0	43	-2.0	-102.69	365.33	0.01	-102.68
NC1=NC=C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030191948	1	43	-2.0	-102.69	365.33	0.01	-102.68
CC1=C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300030191971	0	46	-2.0	-83.86	397.50	2.28	-81.58
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=C2N[N-]N=C2C1=O)C1=CC(=O)[N-]O1	REAL300030192032	0	45	-2.0	-99.12	382.07	1.48	-97.64
O=C(NCC1CC2(CC2)CN1C(=O)C1=NC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300030192038	0	42	-2.0	-102.16	375.92	3.16	-99.00
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300030192085	0	39	-2.0	-92.08	342.82	-0.88	-92.96
CC1SC(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030192106	0	42	-2.0	-93.29	374.77	-0.34	-93.63
CC1=C([O-])N=C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030192106	1	42	-2.0	-93.29	374.77	-0.34	-93.63
O=C(NCC1CC2(CC2)CN1C(=O)C(=O)C1=CC=C(O)C=C1)C1=CC(=O)[N-]O1	REAL300030192196	0	45	-2.0	-91.20	385.60	2.17	-89.03
O=C(NCC1CC2(CC2)CN1C(=O)C(=O)C1=CC=C([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030192196	1	45	-2.0	-91.20	385.60	2.17	-89.03
O=C(NCC1CC2(CC2)CN1C(=O)C1=CN=C(C=N[O-])S1)C1=CC(=O)[N-]O1	REAL300030192219	0	42	-2.0	-109.25	377.08	0.77	-108.48
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)C=C(Cl)N1)C1=CC(=O)[N-]O1	REAL300030192240	0	42	-2.0	-86.49	377.73	2.52	-83.97
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=CC(=O)[N-]O1	REAL300030192240	1	42	-2.0	-86.49	377.73	2.52	-83.97
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030192263	0	43	-2.0	-98.30	365.21	-1.62	-99.92
CCN1[N-]C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030192323	0	46	-2.0	-93.62	392.37	1.64	-91.98
CN1[N-]C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030192340	0	43	-2.0	-92.62	370.56	0.70	-91.92
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192350	0	43	-2.0	-92.31	388.26	-1.35	-93.66
O=C(CC1=CC(=O)NN1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192470	0	43	-2.0	-99.58	372.41	-0.58	-100.16
O=C(CC1=CC(=O)N[N-]1)N1CC2(CC2)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030192470	1	43	-2.0	-99.58	372.41	-0.58	-100.16
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=C(O)C(F)=C1)C1=CC(=O)[N-]O1	REAL300030192475	0	43	-2.0	-100.94	365.72	2.64	-98.30
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300030192475	1	43	-2.0	-100.94	365.72	2.64	-98.30
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(F)=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300030192518	0	43	-2.0	-101.84	371.48	2.89	-98.95
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC=NC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300030192523	0	42	-2.0	-116.74	368.64	2.66	-114.08
CC1=CN=C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C(O)=C1	REAL300030192573	0	45	-2.0	-107.88	381.17	3.28	-104.60
CC1=CN=C(C(=O)N2CC3(CC3)CC2CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030192573	1	45	-2.0	-107.88	381.17	3.28	-104.60
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300030192594	0	40	-2.0	-113.72	350.90	1.60	-112.12
O=C(NCC1CC2(CC2)CN1C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300030192607	0	43	-2.0	-117.89	365.00	3.10	-114.79
O=C(NCC1CC2(CC2)CN1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)NC1=O	REAL300030192639	0	43	-2.0	-99.69	366.78	2.08	-97.61
O=C(NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)C1=COC(=O)[N-]1	REAL300030193515	1	38	-2.0	-91.74	355.45	-6.09	-97.83
O=C(CC1=CC(=O)N[N-]1)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193599	1	42	-2.0	-100.40	380.95	-4.46	-104.86
CN1N=C(C(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)[N-]C1=O	REAL300030193610	0	41	-2.0	-97.89	377.60	-4.90	-102.79
O=C(NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)C1=C[N-]N=CC1=O	REAL300030193645	0	40	-2.0	-84.87	364.51	-2.94	-87.81
O=C(NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)C1=CC(=O)N[N-]1	REAL300030193684	0	39	-2.0	-91.46	360.28	-5.11	-96.57
C[PH](C)([O-])C(=O)C(=O)NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1	REAL300030193688	0	44	-2.0	-92.12	399.11	-3.78	-95.90
O=C(NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)C1=NC(=O)N[N-]1	REAL300030193892	0	38	-2.0	-91.48	354.88	-6.41	-97.89
CN1[N-]C(C(=O)NCC2=C(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)OC=N2)=CC1=O	REAL300030194000	0	42	-2.0	-94.11	383.10	-3.39	-97.50
O=C([N-]CC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)C(F)(F)C(F)F	REAL300030194033	0	37	-2.0	-88.93	356.56	-2.90	-91.83
O=C(NCC1=C(C2CN(C(=O)C3=NC=CC=C3[O-])C2)OC=N1)C1=CC(=O)[N-]O1	REAL300030194372	1	41	-2.0	-105.00	372.19	-1.44	-106.44
O=C(NCC1=C(C2CN(C(=O)C3=COC(=O)[N-]3)C2)OC=N1)C1=CC(=O)[N-]O1	REAL300030194971	1	38	-2.0	-91.01	355.16	-5.51	-96.52
CC1=CC=C([O-])C(C(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)=N1	REAL300030195052	1	44	-2.0	-108.97	393.28	-0.75	-109.72
O=C(NCC1=C(C2CN(C(=O)C3=C[N-]N=CC3=O)C2)OC=N1)C1=CC(=O)[N-]O1	REAL300030195059	0	40	-2.0	-96.23	363.30	-2.23	-98.46
O=C(NCC1=C(C2CN(C(=O)C3=CC(=O)N[N-]3)C2)OC=N1)C1=CC(=O)[N-]O1	REAL300030195144	0	39	-2.0	-92.43	360.01	-4.94	-97.37
C[PH](C)([O-])C(=O)C(=O)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195148	0	44	-2.0	-95.72	393.04	-3.85	-99.57
O=C(NCC1=C(C2CN(C(=O)C3=NC(=O)N[N-]3)C2)OC=N1)C1=CC(=O)[N-]O1	REAL300030195185	0	38	-2.0	-95.06	355.26	-6.07	-101.13
O=C(NCC1=C(C2CN(C(=O)C3=NC(=O)[N-]N3)C2)OC=N1)C1=CC(=O)[N-]O1	REAL300030195185	1	38	-2.0	-95.15	354.74	-6.67	-101.82
CC1=CC=NC(C(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)=C1[O-]	REAL300030195290	1	44	-2.0	-104.94	392.51	-0.75	-105.69
O=C(NCC1=C(C2CN(C(=O)C3=CN=CC([O-])=C3)C2)OC=N1)C1=CC(=O)[N-]O1	REAL300030195324	1	41	-2.0	-91.43	369.58	-3.72	-95.15
CN1N=C(C(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)[N-]C1=O	REAL300030195468	0	41	-2.0	-99.90	377.99	-4.84	-104.74
O=C(NCC1=C(C2CN(C(=O)C3=CC=NC=C3[O-])C2)OC=N1)C1=CC(=O)[N-]O1	REAL300030195639	0	41	-2.0	-107.71	367.72	-2.07	-109.78
O=C(NCC1=C(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)OC=N1)C1=CC(=O)[N-]O1	REAL300030195643	0	38	-2.0	-95.39	355.02	-4.63	-100.02
CN1[N-]C(C(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)=CC1=O	REAL300030195749	0	42	-2.0	-95.20	382.74	-3.24	-98.44
O=C(CC1=CC(=O)N[N-]1)N1CC(C2=C(CNC(=O)C3=CC(=O)[N-]O3)N=CO2)C1	REAL300030195803	1	42	-2.0	-102.71	382.96	-4.35	-107.06
CC1=CN=C(C(=O)N2CC(C3=C(CNC(=O)C4=CC(=O)[N-]O4)N=CO3)C2)C([O-])=C1	REAL300030195845	1	44	-2.0	-106.41	393.63	-0.80	-107.21
O=C(NCC1=C(C2CN(C(=O)C3=CC([O-])=CS3)C2)OC=N1)C1=CC(=O)[N-]O1	REAL300030195855	0	39	-2.0	-102.73	367.23	-2.84	-105.57
O=C(NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1=COC(=O)[N-]1	REAL300030196678	1	45	-2.0	-91.26	360.94	-1.59	-92.85
O=C(CC1=CC(=O)N[N-]1)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196760	1	49	-2.0	-107.45	386.66	0.03	-107.42
CN1N=C(C(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)[N-]C1=O	REAL300030196770	0	48	-2.0	-100.83	383.16	-0.42	-101.25
O=C(NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1=C[N-]N=CC1=O	REAL300030196803	0	47	-2.0	-86.06	370.12	1.53	-84.53
O=C(NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1=CC(=O)N[N-]1	REAL300030196839	0	46	-2.0	-94.04	366.04	-0.69	-94.73
C[PH](C)([O-])C(=O)C(=O)NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2	REAL300030196843	0	51	-2.0	-92.88	398.79	0.68	-92.20
O=C(NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1=NC(=O)N[N-]1	REAL300030197033	0	45	-2.0	-91.79	360.50	-1.93	-93.72
CN1[N-]C(C(=O)NCC23CCN(C(=O)C4=CC(=O)[N-]O4)C2CCCC3)=CC1=O	REAL300030197132	0	49	-2.0	-97.25	388.86	1.02	-96.23
O=C(NCC12CCN(C(=O)C3=NC=CC=C3[O-])C1CCCC2)C1=CC(=O)[N-]O1	REAL300030197499	1	48	-2.0	-105.43	377.27	3.19	-102.24
O=C(NCC12CCN(C(=O)C3=COC(=O)[N-]3)C1CCCC2)C1=CC(=O)[N-]O1	REAL300030197962	1	45	-2.0	-94.53	360.79	-0.62	-95.15
O=C(NCC12CCN(C(=O)C3=C[N-]N=CC3=O)C1CCCC2)C1=CC(=O)[N-]O1	REAL300030198038	0	47	-2.0	-97.24	379.05	1.30	-95.94
O=C(NCC12CCN(C(=O)C3=CC(=O)N[N-]3)C1CCCC2)C1=CC(=O)[N-]O1	REAL300030198099	0	46	-2.0	-93.36	365.60	-0.34	-93.70
C[PH](C)([O-])C(=O)C(=O)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198102	0	51	-2.0	-92.03	404.30	0.79	-91.24
O=C(NCC12CCN(C(=O)C3=NC(=O)N[N-]3)C1CCCC2)C1=CC(=O)[N-]O1	REAL300030198130	0	45	-2.0	-93.69	360.21	-1.19	-94.88
O=C(NCC12CCN(C(=O)C3=CN=CC([O-])=C3)C1CCCC2)C1=CC(=O)[N-]O1	REAL300030198247	1	48	-2.0	-94.09	374.83	0.68	-93.41
CN1N=C(C(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)[N-]C1=O	REAL300030198350	0	48	-2.0	-99.51	383.14	-0.23	-99.74
O=C(NCC12CCN(C(=O)C3=CC=NC=C3[O-])C1CCCC2)C1=CC(=O)[N-]O1	REAL300030198483	0	48	-2.0	-109.09	377.70	1.95	-107.14
O=C(NCC12CCN(C(=O)C3=CC(=O)[N-]O3)C1CCCC2)C1=CC(=O)[N-]O1	REAL300030198486	0	45	-2.0	-96.31	360.65	-0.15	-96.46
CN1[N-]C(C(=O)N2CCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCCC23)=CC1=O	REAL300030198571	0	49	-2.0	-95.97	388.34	1.35	-94.62
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCCC12	REAL300030198614	1	49	-2.0	-99.62	389.24	0.12	-99.50
O=C(NCC12CCN(C(=O)C3=CC([O-])=CS3)C1CCCC2)C1=CC(=O)[N-]O1	REAL300030198653	0	46	-2.0	-102.42	372.15	1.57	-100.85
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC2=CC=CC=C21)C1=COC(=O)[N-]1	REAL300030199328	1	42	-2.0	-102.45	353.66	0.44	-102.01
O=C(CC1=CC(=O)N[N-]1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC2=CC=CC=C21	REAL300030199400	1	46	-2.0	-93.92	378.99	2.04	-91.88
CN1N=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC3=CC=CC=C32)[N-]C1=O	REAL300030199408	0	45	-2.0	-98.78	375.65	1.61	-97.17
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC2=CC=CC=C21)C1=C[N-]N=CC1=O	REAL300030199433	0	44	-2.0	-95.45	362.32	3.65	-91.80
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC2=CC=CC=C21)C1=CC(=O)N[N-]1	REAL300030199465	0	43	-2.0	-94.61	358.50	1.44	-93.17
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC2=CC=CC=C21)C1=NC(=O)N[N-]1	REAL300030199611	0	42	-2.0	-100.94	352.92	0.12	-100.82
CN1[N-]C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CCC3=CC=CC=C32)=CC1=O	REAL300030199686	0	46	-2.0	-96.43	381.23	3.15	-93.28
O=C(NC1CN(C(=O)C2=NC=CC=C2[O-])CCC2=CC=CC=C21)C1=CC(=O)[N-]O1	REAL300030200010	1	45	-2.0	-101.93	377.20	3.43	-98.50
O=C(NC1CN(C(=O)C2=COC(=O)[N-]2)CCC2=CC=CC=C21)C1=CC(=O)[N-]O1	REAL300030200437	1	42	-2.0	-93.42	353.25	2.14	-91.28
O=C(NC1CN(C(=O)C2=C[N-]N=CC2=O)CCC2=CC=CC=C21)C1=CC(=O)[N-]O1	REAL300030200498	0	44	-2.0	-99.91	372.06	3.54	-96.37
O=C(NC1CN(C(=O)C2=CC(=O)N[N-]2)CCC2=CC=CC=C21)C1=CC(=O)[N-]O1	REAL300030200551	0	43	-2.0	-94.57	358.13	1.98	-92.59
O=C(NC1CN(C(=O)C2=NC(=O)N[N-]2)CCC2=CC=CC=C21)C1=CC(=O)[N-]O1	REAL300030200579	0	42	-2.0	-92.74	353.07	1.38	-91.36
O=C(NC1CN(C(=O)C2=CN=CC([O-])=C2)CCC2=CC=CC=C21)C1=CC(=O)[N-]O1	REAL300030200670	1	45	-2.0	-101.60	371.25	3.09	-98.51
CN1N=C(C(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030200762	0	45	-2.0	-103.20	376.02	2.13	-101.07
O=C(NC1CN(C(=O)C2=CC=NC=C2[O-])CCC2=CC=CC=C21)C1=CC(=O)[N-]O1	REAL300030200866	0	45	-2.0	-102.71	367.71	4.38	-98.33
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC2=CC=CC=C21)C1=CC(=O)[N-]O1	REAL300030200868	0	42	-2.0	-99.35	353.07	1.89	-97.46
CN1[N-]C(C(=O)N2CCC3=CC=CC=C3C(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030200942	0	46	-2.0	-99.62	382.43	3.69	-95.93
O=C(CC1=CC(=O)N[N-]1)N1CCC2=CC=CC=C2C(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030200979	1	46	-2.0	-104.24	382.06	2.43	-101.81
O=C(NC1CN(C(=O)C2=CC([O-])=CS2)CCC2=CC=CC=C21)C1=CC(=O)[N-]O1	REAL300030201017	0	43	-2.0	-107.35	365.37	3.75	-103.60
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C2CC2)[N-]C1=O	REAL300030201538	1	45	-2.0	-101.54	387.40	0.86	-100.68
O=C(CCCN1C(=O)[N-]NC1=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202304	0	46	-2.0	-96.57	401.21	-1.51	-98.08
O=C(CCC1=NNC(=O)[N-]C1=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202563	0	44	-2.0	-93.61	387.14	-4.19	-97.80
CC(=O)[N-]C1=NC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=CS1	REAL300030202564	1	42	-2.0	-85.50	383.14	-0.75	-86.25
O=C(CCN1C=C[N-]C(=O)C1=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030202754	1	45	-2.0	-101.30	392.88	-0.05	-101.35
COC1=C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)NC(=O)[N-]C1=O	REAL300030202890	1	43	-2.0	-95.44	377.99	-3.05	-98.49
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NNC(=O)[N-]C1=O	REAL300030203031	0	38	-2.0	-94.58	344.58	-4.40	-98.98
O=C(CN1C(=O)[N-]NC1=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030203164	0	40	-2.0	-96.74	358.69	-2.71	-99.45
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030203331	0	44	-2.0	-101.19	392.09	0.21	-100.98
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)C=C1	REAL300030204185	0	40	-2.0	-107.25	355.66	1.77	-105.48
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)NC([O-])=C1	REAL300030204376	0	40	-2.0	-91.10	354.73	-3.08	-94.18
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=COC(=O)[N-]1	REAL300030204390	1	36	-2.0	-88.36	328.19	-3.31	-91.67
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C2CCC2)[N-]C1=O	REAL300030204447	1	48	-2.0	-89.94	404.91	1.38	-88.56
O=C([N-]C1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C(F)(F)C(F)(F)F	REAL300030204526	1	35	-2.0	-84.61	334.60	0.08	-84.53
CCN1[N-]C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030204653	0	43	-2.0	-96.07	375.79	0.38	-95.69
O=C(CC1=CC(=O)N[N-]1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204662	1	40	-2.0	-100.34	353.69	-1.67	-102.01
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=S)N1[O-]	REAL300030204687	0	40	-2.0	-127.35	364.33	3.79	-123.56
O=C(CC1SC(=O)[N-]C1=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030204705	0	40	-2.0	-90.77	366.80	-3.16	-93.93
CN1N=C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300030204724	0	39	-2.0	-95.86	350.33	-2.11	-97.97
CC1=C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)NC(C2CC2)=N1	REAL300030204843	0	48	-2.0	-103.10	403.49	1.51	-101.59
CC1=C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]C(C2CC2)=N1	REAL300030204843	1	48	-2.0	-103.10	403.49	1.51	-101.59
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]N=CC1=O	REAL300030204858	0	38	-2.0	-90.96	335.43	-0.08	-91.04
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C2N=NN([O-])C2=C1	REAL300030204900	0	42	-2.0	-100.03	370.41	0.33	-99.70
CC1=C(CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N(C)[N-]1	REAL300030204913	0	46	-2.0	-99.47	396.50	0.74	-98.73
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N[N-]1	REAL300030205013	0	37	-2.0	-89.06	333.02	-2.31	-91.37
C[PH](C)([O-])C(=O)C(=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205018	0	42	-2.0	-98.62	364.42	-0.91	-99.53
CN1[N-]C(CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030205021	0	43	-2.0	-102.74	376.52	0.05	-102.69
O=C(CCC1=NC(=O)[N-]N1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205060	1	42	-2.0	-105.71	367.17	-2.59	-108.30
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CN([O-])C1=O	REAL300030205069	0	40	-2.0	-119.06	351.42	1.98	-117.08
CSC1=NC=C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030205090	1	42	-2.0	-101.51	377.56	-0.23	-101.74
CC1=C([O-])N=C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030205116	1	39	-2.0	-94.52	359.78	-2.22	-96.74
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)C=C(Cl)[N-]1	REAL300030205140	1	39	-2.0	-85.97	363.17	0.97	-85.00
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N([O-])C=C1	REAL300030205167	0	40	-2.0	-108.64	355.84	1.78	-106.86
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=O)N1[O-]	REAL300030205234	0	40	-2.0	-123.55	353.21	2.75	-120.80
O=C(C[N-]C(=O)C(F)(F)F)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205435	0	39	-2.0	-91.64	361.34	-2.37	-94.01
NC1=NC([O-])=C(CC(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030205436	0	41	-2.0	-107.59	372.58	-3.21	-110.80
O=C(CC1=NC([O-])=CS1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205504	0	39	-2.0	-112.49	359.53	-2.39	-114.88
CCC1=NC=C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030205533	1	44	-2.0	-100.05	376.32	0.27	-99.78
O=C(CN1N=CC(=O)[N-]C1=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030205546	0	41	-2.0	-97.67	367.26	-3.78	-101.45
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C(Cl)C(=O)[N-]S1	REAL300030205635	0	36	-2.0	-94.35	348.77	-0.96	-95.31
COCC1=NC=C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300030205762	0	45	-2.0	-100.26	389.25	-1.49	-101.75
COCC1=NC=C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030205762	1	45	-2.0	-100.26	389.25	-1.49	-101.75
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(CC2CC2)NC1=O	REAL300030205775	0	48	-2.0	-100.18	407.25	1.84	-98.34
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(CC2CC2)[N-]C1=O	REAL300030205775	1	48	-2.0	-100.18	407.25	1.84	-98.34
CC1=CC(=O)C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300030205874	0	41	-2.0	-97.07	360.00	1.53	-95.54
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)N[N-]1	REAL300030205897	0	36	-2.0	-98.66	325.83	-3.57	-102.23
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030205926	1	41	-2.0	-97.04	368.43	0.77	-96.27
CC1=NC2=NC=C(C(=O)NC3CC4(C3)CN(C(=O)C3=CC(=O)[N-]O3)C4)C(=O)N2[N-]1	REAL300030205956	0	44	-2.0	-99.44	383.48	3.01	-96.43
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C=N[O-])S1	REAL300030206077	0	39	-2.0	-101.49	368.38	-0.73	-102.22
COC1=NC(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC(=O)[N-]1	REAL300030206098	0	42	-2.0	-93.75	373.74	-4.30	-98.05
CN1[N-]C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030206342	0	40	-2.0	-91.72	355.76	-0.61	-92.33
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300030206353	1	43	-2.0	-100.86	376.73	-0.15	-101.01
O=C(CSC1=NNC(=O)[N-]1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206357	0	40	-2.0	-95.55	368.22	-2.43	-97.98
CC1=C(C(=O)NC2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=S)[N-]C(=O)N1	REAL300030206358	1	42	-2.0	-110.91	383.33	-1.17	-112.08
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)[N-]C(=O)N1	REAL300030206593	0	38	-2.0	-103.12	344.36	-5.31	-108.43
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)NC(=O)[N-]1	REAL300030206593	1	38	-2.0	-94.25	345.01	-4.54	-98.79
O=C(COC1=NC(=O)[N-]C(=O)N1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206679	0	42	-2.0	-98.73	378.14	-6.13	-104.86
O=C(COC1=NC(=O)NC(=O)[N-]1)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206679	1	42	-2.0	-91.56	378.08	-6.07	-97.63
O=C(CN1[N-]C(=O)C=CC1=O)NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030206840	0	42	-2.0	-95.94	373.03	-1.68	-97.62
O=C(NC1CC2(C1)CN(C(=O)C1=NC=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030207098	1	39	-2.0	-101.20	344.39	1.42	-99.78
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030207225	1	45	-2.0	-97.07	396.47	0.04	-97.03
CC(=O)[N-]C1=NC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=CS1	REAL300030207243	1	42	-2.0	-86.24	382.64	-0.48	-86.72
O=C(NC1CC2(C1)CN(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030207279	0	38	-2.0	-93.10	343.99	-4.23	-97.33
COC1=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)NC(=O)[N-]C1=O	REAL300030207341	1	43	-2.0	-93.59	375.72	-3.04	-96.63
O=C(CN1C(=O)[N-]NC1=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030207541	0	40	-2.0	-96.31	360.51	-2.57	-98.88
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030207608	0	44	-2.0	-95.81	394.12	0.29	-95.52
O=C(CCCN1C(=O)[N-]NC1=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030208721	0	46	-2.0	-95.32	403.03	-1.37	-96.69
O=C(NC1CC2(C1)CN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030208968	1	45	-2.0	-101.40	387.87	1.62	-99.78
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210000	0	44	-2.0	-93.06	390.72	-4.10	-97.16
O=C(NC1CC2(C1)CN(C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030210010	0	42	-2.0	-92.76	373.71	2.70	-90.06
O=C(NC1CC2(C1)CN(C(=O)C1=CC(Cl)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030210026	1	40	-2.0	-98.39	364.66	2.98	-95.41
N#CC1=CC([O-])=CC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030210063	1	41	-2.0	-87.06	368.63	1.24	-85.82
NC1=CC=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C([O-])=C1Cl	REAL300030210098	0	42	-2.0	-103.68	376.41	0.96	-102.72
O=C(NC1CC2(C1)CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030210167	0	42	-2.0	-106.83	373.91	3.80	-103.03
CCC1=NC=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030210204	1	44	-2.0	-99.98	376.78	1.03	-98.95
O=C(NC1CC2(C1)CN(C(=O)C1=COC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030210231	1	36	-2.0	-90.45	327.75	-2.69	-93.14
O=C(NC1CC2(C1)CN(C(=O)C1=CC=CC([O-])=C1[N+](=O)[O-])C2)C1=CC(=O)[N-]O1	REAL300030210321	0	42	-2.0	-105.91	377.06	2.49	-103.42
O=C(C[N-]C(=O)C(F)(F)F)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210340	0	39	-2.0	-90.59	364.96	-2.28	-92.87
NC1=NC([O-])=C(CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300030210341	0	41	-2.0	-107.88	376.22	-3.15	-111.03
O=C(NC1CC2(C1)CN(C(=O)C1=C(F)C=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300030210352	0	40	-2.0	-87.39	368.15	1.28	-86.11
O=C(NC1CC2(C1)CN(C(=O)C1=CC=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300030210376	1	40	-2.0	-92.04	354.58	1.01	-91.03
O=C(NC1CC2(C1)CN(C(=O)C1=CC([O-])=C3SC=CC3=C1)C2)C1=CC(=O)[N-]O1	REAL300030210384	1	43	-2.0	-103.18	384.25	2.20	-100.98
O=C(NC1CC2(C1)CN(C(=O)C1=CC([O-])=CC(=O)O1)C2)C1=CC(=O)[N-]O1	REAL300030210387	0	39	-2.0	-90.62	352.57	0.43	-90.19
N#CC1=CC=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1[O-]	REAL300030210401	1	41	-2.0	-95.94	367.92	1.31	-94.63
O=C(NC1CC2(C1)CN(C(=O)C1=CC(Cl)=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030210407	0	39	-2.0	-94.43	357.78	1.16	-93.27
N#CC1=CC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C(N)[N-]C1=O	REAL300030210414	0	42	-2.0	-90.00	383.37	-1.72	-91.72
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210433	0	41	-2.0	-98.41	370.92	-3.73	-102.14
CC1=CC=C([O-])C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300030210535	1	42	-2.0	-102.14	364.22	2.06	-100.08
O=C(CCC1=NNC(=O)[N-]1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210539	0	42	-2.0	-93.33	370.85	-1.96	-95.29
O=C(NC1CC2(C1)CN(C(=O)C1=C[N-]N=CC1=O)C2)C1=CC(=O)[N-]O1	REAL300030210565	0	38	-2.0	-90.84	336.02	0.60	-90.24
O=C(NC1CC2(C1)CN(C(=O)C1=CC=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030210579	0	40	-2.0	-106.59	354.16	2.55	-104.04
O=C(NC1CC2(C1)CN(C(=O)C1=CC=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030210725	1	40	-2.0	-103.48	354.46	1.03	-102.45
O=C(NC1CC2(C1)CN(C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030210817	0	42	-2.0	-96.75	373.76	2.66	-94.09
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030210890	0	37	-2.0	-88.88	332.73	-2.19	-91.07
C[PH](C)([O-])C(=O)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210898	0	42	-2.0	-94.89	370.31	-0.94	-95.83
CN1[N-]C(CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300030210903	0	43	-2.0	-98.48	378.32	0.17	-98.31
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030210928	0	45	-2.0	-104.29	400.55	2.62	-101.67
O=C(NC1CC2(C1)CN(C(=O)C1=CN=C(CC3CC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030210951	1	48	-2.0	-99.95	407.70	2.62	-97.33
NC1=CC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C(F)C([O-])=C1F	REAL300030210965	0	42	-2.0	-104.64	374.72	-1.01	-105.65
COCC1=NC=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030210975	1	45	-2.0	-100.11	389.71	-0.73	-100.84
O=C(NC1CC2(C1)CN(C(=O)C1=CC(F)=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030211006	0	40	-2.0	-102.83	360.31	2.62	-100.21
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300030211040	0	40	-2.0	-107.81	353.59	1.45	-106.36
O=C(NC1CC2(C1)CN(C(=O)C1=CC(F)=C(F)C([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030211077	0	40	-2.0	-95.96	366.91	1.13	-94.83
O=C(NC1CC2(C1)CN(C(=O)C1=NC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030211079	0	36	-2.0	-89.98	327.48	-3.20	-93.18
O=C(NC1CC2(C1)CN(C(=O)C1=C([O-])C=CC=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300030211085	1	40	-2.0	-100.70	369.33	1.71	-98.99
O=C(NC1CC2(C1)CN(C(=O)C1=CC=CN([O-])C1=O)C2)C1=CC(=O)[N-]O1	REAL300030211094	0	40	-2.0	-114.87	361.53	1.71	-113.16
O=C(NC1CC2(C1)CN(C(=O)C1=C(F)C=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030211137	1	40	-2.0	-99.91	367.92	1.29	-98.62
CC1=NC2=NC=C(C(=O)N3CC4(CC(NC(=O)C5=CC(=O)[N-]O5)C4)C3)C(=O)N2[N-]1	REAL300030211223	0	44	-2.0	-101.37	382.13	3.84	-97.53
NC1=CC(=O)[N-]C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300030211271	0	40	-2.0	-100.21	356.38	-2.58	-102.79
O=C(NC1CC2(C1)CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C2)C1=CC(=O)[N-]O1	REAL300030211356	0	40	-2.0	-90.06	363.75	1.44	-88.62
O=C(NC1CC2(C1)CN(C(=O)C1=CC(F)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030211364	1	40	-2.0	-97.83	354.34	2.54	-95.29
CC1=CC=NC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C1[O-]	REAL300030211465	1	42	-2.0	-101.88	362.93	2.16	-99.72
O=C(NC1CC2(C1)CN(C(=O)C1=CC=C(Cl)C(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030211532	0	40	-2.0	-102.27	370.25	3.04	-99.23
O=C(NC1CC2(C1)CN(C(=O)C1=CN=CC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030211665	1	39	-2.0	-90.04	342.77	-0.91	-90.95
O=C(NC1CC2(C1)CN(C(=O)C1=CC=CC(=S)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300030211679	0	40	-2.0	-122.53	362.07	3.50	-119.03
O=C(NC1CC2(C1)CN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030211837	1	48	-2.0	-101.38	403.62	2.17	-99.21
NC1=CC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=CC([O-])=C1Cl	REAL300030211855	1	42	-2.0	-92.14	376.49	-0.64	-92.78
O=C(NC1CC2(C1)CN(C(=O)C1=CC=C([O-])C(Cl)=N1)C2)C1=CC(=O)[N-]O1	REAL300030211860	0	39	-2.0	-86.19	362.69	0.21	-85.98
O=C(NC1CC2(C1)CN(C(=O)C1=CC=C([O-])C=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300030211937	1	40	-2.0	-90.73	362.78	1.46	-89.27
N#CC1=CC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C([O-])C=C1N	REAL300030211940	0	43	-2.0	-100.27	381.41	0.78	-99.49
O=C(CC1=NC([O-])=CS1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211954	0	39	-2.0	-106.94	361.41	-2.26	-109.20
O=C(NC1CC2(C1)CN(C(=O)C1=C([O-])C=CC=C1F)C2)C1=CC(=O)[N-]O1	REAL300030211979	0	40	-2.0	-101.43	359.84	1.34	-100.09
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030211982	0	42	-2.0	-94.70	376.68	-1.62	-96.32
O=C(NC1CC2(C1)CN(C(=O)C1=CC=C(F)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030211985	0	40	-2.0	-100.61	354.32	2.55	-98.06
CC1=CC=C(F)C([O-])=C1C(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212040	0	43	-2.0	-100.94	380.99	1.87	-99.07
O=C(CC1SC(=O)[N-]C1=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212140	0	40	-2.0	-86.32	369.15	-3.05	-89.37
O=C(NC1CC2(C1)CN(C(=O)C1=CC=C([O-])C(F)=C1F)C2)C1=CC(=O)[N-]O1	REAL300030212173	0	40	-2.0	-93.87	360.63	1.08	-92.79
O=C(NC1CC2(C1)CN(C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030212177	1	41	-2.0	-87.57	377.82	-0.31	-87.88
O=C(NC1CC2(C1)CN(C(=O)C1=CC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030212183	0	40	-2.0	-101.19	363.97	3.01	-98.18
CC1=CC(=O)C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=N[N-]1	REAL300030212221	0	41	-2.0	-93.02	361.15	1.63	-91.39
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212227	0	45	-2.0	-107.11	392.93	1.49	-105.62
O=C(NC1CC2(C1)CN(C(=O)C1=CC=CC(=O)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300030212263	0	40	-2.0	-119.91	350.96	2.45	-117.46
N#CC1=CC=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030212311	0	40	-2.0	-96.12	359.87	0.59	-95.53
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212312	0	42	-2.0	-95.41	381.73	-5.98	-101.39
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030212312	1	42	-2.0	-89.99	381.66	-5.93	-95.92
O=C(NC1CC2(C1)CN(C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C2)C1=CC(=O)[N-]O1	REAL300030212343	0	42	-2.0	-87.55	375.85	2.56	-84.99
CN1N=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300030212389	0	39	-2.0	-95.34	350.12	-1.97	-97.31
[N-]=[N+]=NC1=CC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=CC=C1[O-]	REAL300030212431	0	42	-2.0	-87.13	375.52	-1.28	-88.41
O=C(NC1CC2(C1)CN(C(=O)C1=C(F)C=CC(O)=C1O)C2)C1=CC(=O)[N-]O1	REAL300030212475	0	41	-2.0	-104.90	372.29	-0.61	-105.51
O=C(NC1CC2(C1)CN(C(=O)C1=C(F)C=CC(O)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030212475	1	41	-2.0	-104.90	372.29	-0.61	-105.51
N#CC1=CC=C([O-])C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030212488	0	41	-2.0	-94.91	368.77	2.89	-92.02
O=C(NC1CC2(C1)CN(C(=O)C1=CN([O-])C(=O)NC1=O)C2)C1=CC(=O)[N-]O1	REAL300030212635	0	40	-2.0	-94.91	357.00	0.18	-94.73
O=C(NC1CC2(C1)CN(C(=O)C1=CC(Cl)=C(F)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030212677	0	40	-2.0	-94.67	370.44	3.04	-91.63
O=C(NC1CC2(C1)CN(C(=O)C1=CC=C(F)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030212713	1	40	-2.0	-100.14	354.00	0.93	-99.21
O=C(NC1CC2(C1)CN(C(=O)C1=C([O-])C3=NC=CC=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030212723	1	45	-2.0	-116.62	388.46	2.98	-113.64
O=C(NC1CC2(C1)CN(C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030212727	0	42	-2.0	-97.36	376.09	3.15	-94.21
O=C(NC1CC2(C1)CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030212730	0	42	-2.0	-90.93	376.10	3.16	-87.77
O=C(NC1CC2(C1)CN(C(=O)C1=CC=C(Cl)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030212744	1	40	-2.0	-100.53	364.65	3.01	-97.52
O=C(NC1CC2(C1)CN(C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030212767	0	42	-2.0	-87.00	375.80	1.54	-85.46
O=C(NC1CC2(C1)CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2)C1=CC(=O)[N-]O1	REAL300030212859	0	38	-2.0	-92.32	345.53	-4.93	-97.25
O=C(NC1CC2(C1)CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030212859	1	38	-2.0	-88.93	345.97	-4.09	-93.02
O=C(NC1CC2(C1)CN(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2)C1=CC(=O)[N-]O1	REAL300030212902	0	42	-2.0	-109.74	367.69	-0.05	-109.79
O=C(NC1CC2(C1)CN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2)C1=CC(=O)[N-]O1	REAL300030212948	1	45	-2.0	-106.11	387.82	3.80	-102.31
O=C(NC1CC2(C1)CN(C(=O)C1=C(Cl)C(=O)[N-]S1)C2)C1=CC(=O)[N-]O1	REAL300030212949	0	36	-2.0	-92.64	348.42	-1.12	-93.76
NC1=NC=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030212975	1	40	-2.0	-98.59	359.67	-1.72	-100.31
CC1=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C(=O)C(C#N)=C1	REAL300030213012	0	43	-2.0	-97.44	380.28	0.88	-96.56
O=C(NC1CC2(C1)CN(C(=O)C1=CC=C(F)C([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030213039	0	40	-2.0	-102.89	360.59	1.07	-101.82
O=C(NC1CC2(C1)CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2)C1=CC(=O)[N-]O1	REAL300030213103	0	40	-2.0	-91.25	369.78	1.54	-89.71
O=C(NC1CC2(C1)CN(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030213112	1	41	-2.0	-90.38	367.69	0.40	-89.98
COC1=NC(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=CC(=O)[N-]1	REAL300030213118	0	42	-2.0	-92.68	371.85	-3.91	-96.59
O=C(NC1CC2(C1)CN(C(=O)C1=CC=C3N[N-]N=C3C1=O)C2)C1=CC(=O)[N-]O1	REAL300030213121	0	42	-2.0	-96.56	376.19	-0.31	-96.87
O=C(NC1CC2(C1)CN(C(=O)C1=NC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030213134	0	39	-2.0	-101.02	360.46	1.99	-99.03
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213140	1	43	-2.0	-97.46	392.56	2.55	-94.91
O=C(NC1CC2(C1)CN(C(=O)C1=CC=C(Cl)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030213186	0	40	-2.0	-96.26	363.79	1.42	-94.84
O=C(NC1CC2(C1)CN(C(=O)C1=CC=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030213197	0	39	-2.0	-100.40	340.91	0.74	-99.66
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)[N-]O1	REAL300030213207	0	36	-2.0	-99.34	325.98	-1.78	-101.12
CC1=C([O-])N=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300030213251	1	39	-2.0	-96.86	359.59	-1.80	-98.66
O=C(NC1CC2(C1)CN(C(=O)C1=C([O-])C=CC3=CC=CC=C31)C2)C1=CC(=O)[N-]O1	REAL300030213310	1	46	-2.0	-102.73	400.56	3.43	-99.30
O=C(NC1CC2(C1)CN(C(=O)C1=C([O-])C3=CC=CC=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030213330	1	46	-2.0	-110.53	392.63	4.83	-105.70
O=C(NC1CC2(C1)CN(C(=O)C1=CC3=CC=CC=C3C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030213338	1	46	-2.0	-109.53	393.97	4.75	-104.78
O=C(NC1CC2(C1)CN(C(=O)C(=O)C1=CC=C([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300030213394	1	42	-2.0	-92.57	370.09	1.13	-91.44
O=C(NC1CC2(C1)CN(C(=O)C1=CN=C(C=N[O-])S1)C2)C1=CC(=O)[N-]O1	REAL300030213433	0	39	-2.0	-100.65	366.22	-0.90	-101.55
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030213471	1	39	-2.0	-85.51	362.39	1.23	-84.28
CSC1=NC=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030213497	1	42	-2.0	-99.27	387.62	-0.57	-99.84
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)NC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030213506	0	40	-2.0	-94.94	352.10	-3.41	-98.35
CCN1[N-]C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300030213594	0	43	-2.0	-92.15	377.29	0.47	-91.68
CN1[N-]C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300030213618	0	40	-2.0	-91.44	355.48	-0.46	-91.90
O=C(NC1CC2(C1)CN(C(=O)C1=CC=CC3=C1C(=O)[N-]C3=O)C2)C1=CC(=O)[N-]O1	REAL300030213633	1	43	-2.0	-106.17	379.14	-0.49	-106.66
O=C(CSC1=NNC(=O)[N-]1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213638	0	40	-2.0	-93.78	371.81	-2.32	-96.10
CC1=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C(=S)[N-]C(=O)N1	REAL300030213640	1	42	-2.0	-106.08	385.68	-1.02	-107.10
CC1=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300030213651	1	48	-2.0	-101.99	417.25	1.06	-100.93
O=C(NC1CC2(C1)CN(C(=O)C1=C([O-])C=NC3=CC=CC=C31)C2)C1=CC(=O)[N-]O1	REAL300030213716	1	45	-2.0	-106.02	395.12	1.57	-104.45
O=C(CC1=CC(=O)N[N-]1)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030213836	1	40	-2.0	-96.04	355.57	-1.55	-97.59
O=C(NC1CC2(C1)CN(C(=O)C1=CC=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300030213843	1	40	-2.0	-93.80	353.96	0.97	-92.83
O=C(NC1CC2(C1)CN(C(=O)C1=CC(F)=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300030213911	0	40	-2.0	-93.05	359.67	1.04	-92.01
O=C(NC1CC2(C1)CN(C(=O)C1=CC=NC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030213917	0	39	-2.0	-99.87	356.59	1.17	-98.70
CC1=C(CC(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N(C)[N-]1	REAL300030213939	0	46	-2.0	-102.72	398.37	0.87	-101.85
O=C(CCC(=O)N1CC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=C([O-])C=C1	REAL300030213952	1	48	-2.0	-92.05	418.01	2.66	-89.39
CC1=CN=C(C(=O)N2CC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C([O-])=C1	REAL300030213993	1	42	-2.0	-102.70	365.85	2.05	-100.65
O=C(NC1CC2(C1)CN(C(=O)C1=C(O)C=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030214010	0	41	-2.0	-105.33	382.00	-0.99	-106.32
O=C(NC1CC2(C1)CN(C(=O)C1=CC([O-])=CS1)C2)C1=CC(=O)[N-]O1	REAL300030214035	0	37	-2.0	-101.13	339.80	-0.02	-101.15
O=C(NC1CC2(C1)CN(C(=O)C1=CN([O-])C(=O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300030214061	0	40	-2.0	-106.36	351.57	1.49	-104.87
O=C(NC1CC2(C1)CN(C(=O)C1=CC(F)=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030214067	0	40	-2.0	-98.74	370.12	3.10	-95.64
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)NC1=O	REAL300030214124	0	40	-2.0	-95.05	356.65	-0.56	-95.61
O=C(NC1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030214161	1	41	-2.0	-80.01	369.60	0.01	-80.00
CC1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030214820	1	47	-2.0	-107.69	371.57	1.81	-105.88
CC1CCN(C(=O)CCCN2C(=O)[N-]NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215532	0	48	-2.0	-114.88	387.09	0.28	-114.60
CC1CCN(C(=O)CCC2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215771	0	46	-2.0	-109.07	374.78	-2.45	-111.52
CC(=O)[N-]C1=NC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)=CS1	REAL300030215772	1	44	-2.0	-107.12	364.15	1.93	-105.19
CC1CCN(C(=O)CCN2C=C[N-]C(=O)C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030215951	1	47	-2.0	-103.99	380.52	1.69	-102.30
COC1=C(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)NC(=O)[N-]C1=O	REAL300030216073	1	45	-2.0	-88.84	372.14	-2.36	-91.20
CC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216200	0	40	-2.0	-115.79	325.25	-2.23	-118.02
CC1CCN(C(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030216328	0	42	-2.0	-120.65	344.56	-0.95	-121.60
CC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217283	0	42	-2.0	-118.81	335.68	3.04	-115.77
CC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217467	0	42	-2.0	-107.74	336.00	-1.88	-109.62
CC1CCN(C(=O)C2=COC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217480	1	38	-2.0	-111.22	309.48	0.39	-110.83
CCN1[N-]C(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030217731	0	45	-2.0	-115.43	354.95	2.81	-112.62
CC1CCN(C(=O)CC2=CC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217740	1	42	-2.0	-120.00	338.94	0.03	-119.97
CC1CCN(C(=O)C2=CC=CC(=S)N2[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217765	0	42	-2.0	-122.18	345.82	3.86	-118.32
CC1CCN(C(=O)CC2SC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217781	0	42	-2.0	-114.48	352.51	-1.39	-115.87
CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217800	0	41	-2.0	-116.13	332.01	0.04	-116.09
CC1CCN(C(=O)C2=C[N-]N=CC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217928	0	40	-2.0	-98.13	317.73	1.03	-97.10
CC1CCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030217968	0	44	-2.0	-113.05	352.57	1.55	-111.50
CC1CCN(C(=O)C2=CC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218075	0	39	-2.0	-111.54	314.17	-0.14	-111.68
CC1CCN(C(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218080	0	44	-2.0	-81.83	351.56	1.52	-80.31
CC1CCN(C(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218131	0	42	-2.0	-109.15	346.04	3.68	-105.47
CSC1=NC=C(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N1	REAL300030218152	0	44	-2.0	-107.19	361.89	0.75	-106.44
CSC1=NC=C(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300030218152	1	44	-2.0	-107.19	361.89	0.75	-106.44
CC1SC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)=NC1=O	REAL300030218178	0	41	-2.0	-118.99	341.42	1.05	-117.94
CC1=C([O-])N=C(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030218178	1	41	-2.0	-118.99	341.42	1.05	-117.94
CC1CCN(C(=O)C2=CC(=O)C=C(Cl)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218201	0	41	-2.0	-79.12	346.12	4.03	-75.09
CC1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218201	1	41	-2.0	-79.12	346.12	4.03	-75.09
CC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218226	0	42	-2.0	-120.67	335.88	3.00	-117.67
CC1CCN(C(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218291	0	42	-2.0	-117.41	334.72	3.02	-114.39
CC1CCN(C(=O)CC2=C([O-])N=C(N)S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218476	0	43	-2.0	-116.36	360.21	-1.46	-117.82
CC1CCN(C(=O)CC2=NC([O-])=CS2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218542	0	41	-2.0	-136.37	344.78	-0.69	-137.06
CCC1=NC=C(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N1	REAL300030218569	0	46	-2.0	-106.04	360.49	1.23	-104.81
CCC1=NC=C(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300030218569	1	46	-2.0	-106.04	360.49	1.23	-104.81
CC1CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218667	0	38	-2.0	-83.51	329.10	0.47	-83.04
COCC1=NC=C(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300030218786	1	47	-2.0	-106.76	373.42	-0.53	-107.29
CC1=CC(=O)C(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300030218893	0	43	-2.0	-112.16	342.45	3.65	-108.51
CC1CCN(C(=O)C2=NC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218912	0	38	-2.0	-111.90	309.24	-0.40	-112.30
CC1CCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030218938	1	43	-2.0	-108.93	350.16	1.99	-106.94
CC1CCN(C(=O)C2=CN=C(C=N[O-])S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219086	0	41	-2.0	-126.30	344.42	0.36	-125.94
COC1=NC(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)=CC(=O)[N-]1	REAL300030219107	0	44	-2.0	-118.98	346.39	-1.37	-120.35
CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219339	0	42	-2.0	-113.86	336.91	1.57	-112.29
CC1CCN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219349	1	45	-2.0	-151.96	370.25	-0.18	-152.14
CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219352	0	42	-2.0	-111.98	355.87	-0.65	-112.63
CC1=C(C(=O)N2CCC(C)N(C(=O)C3=CC(=O)[N-]O3)CC2)C(=S)[N-]C(=O)N1	REAL300030219353	1	44	-2.0	-135.97	368.31	0.66	-135.31
CC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219582	0	40	-2.0	-117.64	326.78	-2.02	-119.66
CC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219582	1	40	-2.0	-108.21	327.33	-1.22	-109.43
CC1CCN(C(=O)COC2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219661	0	44	-2.0	-114.45	365.78	-4.34	-118.79
CC1CCN(C(=O)COC2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219661	1	44	-2.0	-108.86	365.59	-4.30	-113.16
CC1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030219814	0	44	-2.0	-120.20	360.67	0.02	-120.18
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300030220071	1	41	-2.0	-112.71	326.76	3.28	-109.43
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300030220187	1	47	-2.0	-93.69	380.26	2.02	-91.67
CC(=O)[N-]C1=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)=CS1	REAL300030220199	1	44	-2.0	-78.68	366.01	2.11	-76.57
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300030220227	0	40	-2.0	-112.07	326.57	-2.53	-114.60
COC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)NC(=O)[N-]C1=O	REAL300030220276	1	45	-2.0	-85.54	372.28	-2.38	-87.92
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300030220436	0	42	-2.0	-111.50	344.40	-0.92	-112.42
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCCN1C(=O)[N-]NC1=O	REAL300030221354	0	48	-2.0	-105.45	387.07	0.28	-105.17
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300030221555	1	47	-2.0	-82.82	370.72	2.19	-80.63
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300030222327	0	46	-2.0	-104.70	373.68	-2.46	-107.16
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300030222335	0	44	-2.0	-86.77	357.10	4.70	-82.07
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300030222349	1	42	-2.0	-117.02	346.39	4.30	-112.72
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300030222380	1	43	-2.0	-111.35	352.52	2.92	-108.43
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(N)C(Cl)=C1[O-]	REAL300030222406	0	44	-2.0	-120.93	359.82	2.37	-118.56
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300030222457	0	44	-2.0	-123.30	355.69	5.14	-118.16
CCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C(=O)[N-]1	REAL300030222486	1	46	-2.0	-81.50	359.78	1.49	-80.01
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300030222507	1	38	-2.0	-113.53	309.74	-0.20	-113.73
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300030222608	0	41	-2.0	-82.34	348.75	-0.36	-82.70
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300030222609	0	43	-2.0	-102.31	361.90	-1.12	-103.43
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C=C1F	REAL300030222636	1	42	-2.0	-85.90	336.15	2.96	-82.94
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300030222645	0	41	-2.0	-82.53	336.21	2.43	-80.10
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300030222655	1	43	-2.0	-89.84	351.32	3.31	-86.53
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300030222661	0	41	-2.0	-115.98	341.65	2.38	-113.60
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1	REAL300030222664	0	44	-2.0	-83.68	367.81	0.01	-83.67
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300030222680	0	43	-2.0	-104.71	354.96	-2.08	-106.79
CC1=CC=C([O-])C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)=N1	REAL300030222766	1	44	-2.0	-114.01	348.11	3.91	-110.10
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300030222790	0	40	-2.0	-76.01	318.16	1.23	-74.78
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300030222801	0	42	-2.0	-100.10	334.92	4.21	-95.89
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC([O-])=C1F	REAL300030222918	1	42	-2.0	-96.82	335.23	2.89	-93.93
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300030222989	0	44	-2.0	-118.28	357.65	4.36	-113.92
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300030223052	0	39	-2.0	-81.67	315.95	0.15	-81.52
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300030223059	0	44	-2.0	-81.43	352.14	1.12	-80.31
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)C=C([O-])C1=CC=CC=N1	REAL300030223086	0	47	-2.0	-132.27	383.03	4.17	-128.10
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C(=O)N1	REAL300030223119	0	47	-2.0	-82.50	372.71	-0.27	-82.77
COCC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C(=O)[N-]1	REAL300030223119	1	47	-2.0	-82.50	372.71	-0.27	-82.77
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300030223172	0	42	-2.0	-97.78	337.13	3.41	-94.37
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL300030223205	0	42	-2.0	-89.02	347.47	2.98	-86.04
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)N[N-]1	REAL300030223207	0	38	-2.0	-111.84	310.92	-0.85	-112.69
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300030223219	0	42	-2.0	-94.39	336.05	3.05	-91.34
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC=C1O	REAL300030223425	0	42	-2.0	-117.29	336.08	3.85	-113.44
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300030223425	1	42	-2.0	-117.29	336.08	3.85	-113.44
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)=C1O	REAL300030223510	0	44	-2.0	-112.96	346.93	3.98	-108.98
CC1=CC=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)=C1[O-]	REAL300030223510	1	44	-2.0	-112.96	346.93	3.98	-108.98
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300030223566	0	42	-2.0	-121.10	352.05	4.35	-116.75
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=CC(O)=C1	REAL300030223678	0	41	-2.0	-120.37	326.61	0.66	-119.71
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=CC([O-])=C1	REAL300030223678	1	41	-2.0	-120.37	326.61	0.66	-119.71
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300030223690	0	42	-2.0	-115.60	348.55	4.02	-111.58
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(N)=C(Cl)C(O)=C1	REAL300030223843	0	44	-2.0	-116.87	360.37	1.03	-115.84
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300030223843	1	44	-2.0	-116.87	360.37	1.03	-115.84
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300030223847	0	41	-2.0	-79.46	346.25	2.83	-76.63
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300030223910	1	42	-2.0	-84.93	344.37	3.39	-81.54
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300030223912	0	45	-2.0	-114.52	365.03	2.16	-112.36
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=NC([O-])=CS1	REAL300030223922	0	41	-2.0	-104.45	347.08	-0.24	-104.69
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300030223945	0	44	-2.0	-112.00	360.73	0.02	-111.98
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300030223948	0	42	-2.0	-94.19	335.87	4.27	-89.92
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300030224067	0	42	-2.0	-100.18	352.78	-1.33	-101.51
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300030224094	0	42	-2.0	-121.04	342.44	2.71	-118.33
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030224097	1	43	-2.0	-74.51	351.18	1.37	-73.14
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300030224102	0	42	-2.0	-95.11	344.73	4.69	-90.42
CC1=CC(=O)C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)=N[N-]1	REAL300030224135	0	43	-2.0	-111.04	343.75	3.34	-107.70
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300030224140	0	47	-2.0	-99.49	376.24	3.31	-96.18
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300030224168	0	42	-2.0	-115.24	337.46	3.38	-111.86
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300030224204	0	42	-2.0	-101.58	346.86	0.92	-100.66
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300030224205	0	44	-2.0	-89.44	365.51	-4.15	-93.59
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300030224205	1	44	-2.0	-83.56	365.46	-4.08	-87.64
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300030224234	0	44	-2.0	-105.10	361.30	4.04	-101.06
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300030224274	0	41	-2.0	-114.78	331.85	-0.08	-114.86
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300030224308	0	44	-2.0	-83.31	359.00	0.71	-82.60
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300030224350	0	43	-2.0	-112.06	352.06	4.31	-107.75
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300030224471	0	42	-2.0	-84.56	340.71	0.71	-83.85
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300030224508	0	42	-2.0	-114.18	353.82	4.44	-109.74
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300030224535	1	42	-2.0	-86.66	337.37	2.93	-83.73
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300030224543	1	47	-2.0	-130.55	372.03	4.38	-126.17
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300030224547	0	44	-2.0	-90.72	357.62	4.87	-85.85
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300030224550	0	44	-2.0	-111.23	357.84	4.46	-106.77
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300030224561	1	42	-2.0	-94.11	346.20	4.72	-89.39
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300030224575	0	44	-2.0	-112.82	359.85	3.22	-109.60
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300030224647	0	40	-2.0	-83.81	328.35	-2.00	-85.81
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300030224647	1	40	-2.0	-108.72	328.70	-1.86	-110.58
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300030224674	0	44	-2.0	-121.03	354.83	1.64	-119.39
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300030224711	1	47	-2.0	-118.10	372.00	5.60	-112.50
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300030224712	0	38	-2.0	-83.51	329.54	0.60	-82.91
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300030224731	1	42	-2.0	-82.23	333.23	-0.15	-82.38
CC1=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)[N-]C(=O)C(C#N)=C1	REAL300030224762	0	45	-2.0	-125.62	371.79	1.42	-124.20
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C([O-])=C1F	REAL300030224782	0	42	-2.0	-126.30	342.40	2.69	-123.61
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300030224839	0	42	-2.0	-117.34	353.87	3.21	-114.13
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030224843	1	43	-2.0	-117.12	351.81	2.07	-115.05
COC1=NC(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)=CC(=O)[N-]1	REAL300030224849	0	44	-2.0	-107.35	355.82	-1.66	-109.01
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300030224851	0	44	-2.0	-80.62	349.53	1.41	-79.21
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300030224859	0	41	-2.0	-108.16	342.77	3.81	-104.35
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300030224865	1	45	-2.0	-97.11	376.29	4.55	-92.56
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300030224898	0	42	-2.0	-83.14	347.18	3.41	-79.73
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC=C1[O-]	REAL300030224908	0	41	-2.0	-93.87	324.60	2.37	-91.50
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030224915	0	38	-2.0	-120.97	309.58	-0.25	-121.22
CC1=C([O-])N=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)S1	REAL300030224949	1	41	-2.0	-124.09	341.41	0.58	-123.51
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300030225017	1	48	-2.0	-124.50	376.19	6.23	-118.27
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300030225025	1	48	-2.0	-102.26	375.64	6.47	-95.79
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300030225068	1	44	-2.0	-84.75	352.86	3.25	-81.50
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300030225098	0	41	-2.0	-119.46	350.68	0.66	-118.80
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300030225128	1	41	-2.0	-103.61	345.07	3.28	-100.33
CSC1=NC=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C(=O)[N-]1	REAL300030225152	1	44	-2.0	-82.37	361.18	1.01	-81.36
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300030225160	0	42	-2.0	-81.06	337.28	-1.48	-82.54
CCN1[N-]C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)=CC1=O	REAL300030225237	0	45	-2.0	-84.86	361.11	2.77	-82.09
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300030225255	0	42	-2.0	-84.04	339.94	1.87	-82.17
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300030225270	0	42	-2.0	-106.90	355.85	-0.63	-107.53
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC(=O)N[N-]1	REAL300030225419	1	42	-2.0	-93.37	340.60	0.47	-92.90
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300030225426	1	42	-2.0	-86.30	337.34	2.97	-83.33
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300030225479	0	42	-2.0	-115.86	344.99	2.77	-113.09
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300030225484	0	41	-2.0	-92.08	339.93	2.80	-89.28
CC1=C(CC(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C(=O)N(C)[N-]1	REAL300030225501	0	48	-2.0	-119.03	382.21	2.57	-116.46
CC1=CN=C(C(=O)N2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2C)C([O-])=C1	REAL300030225547	1	44	-2.0	-114.39	348.21	3.92	-110.47
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CS1	REAL300030225578	0	39	-2.0	-120.41	324.97	1.56	-118.85
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300030225598	0	42	-2.0	-131.19	337.28	3.12	-128.07
CC1CCN(C(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300030225604	0	42	-2.0	-88.30	350.92	4.71	-83.59
CC1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030225648	0	42	-2.0	-103.71	339.78	0.54	-103.17
CC1CCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030225683	1	43	-2.0	-97.82	350.65	1.09	-96.73
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1=NNC(=O)[N-]C1=O	REAL300030226599	0	44	-2.0	-93.35	332.92	-2.27	-95.62
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CN1C(=O)[N-]NC1=O	REAL300030226660	0	46	-2.0	-92.93	350.89	-0.83	-93.76
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1=CN([O-])C(=O)C=C1	REAL300030227088	0	46	-2.0	-105.95	343.05	3.15	-102.80
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)NC([O-])=C1	REAL300030227176	0	46	-2.0	-85.49	365.67	-1.14	-86.63
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1=COC(=O)[N-]1	REAL300030227187	1	42	-2.0	-97.52	316.57	-0.29	-97.81
CCN1[N-]C(C(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030227311	0	49	-2.0	-95.59	365.97	2.46	-93.13
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC1=CC(=O)N[N-]1	REAL300030227318	1	46	-2.0	-94.01	345.87	0.23	-93.78
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1=NN(C)C(=O)[N-]1	REAL300030227345	0	45	-2.0	-97.88	338.96	0.00	-97.88
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1=C[N-]N=CC1=O	REAL300030227408	0	44	-2.0	-80.38	345.64	1.81	-78.57
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)N[N-]1	REAL300030227479	0	43	-2.0	-92.57	321.43	-0.19	-92.76
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C(=O)[PH](C)(C)[O-]	REAL300030227484	0	48	-2.0	-89.26	355.88	1.04	-88.22
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1=CC=CN([O-])C1=O	REAL300030227509	0	46	-2.0	-109.89	338.62	3.14	-106.75
CC1SC(C(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300030227530	0	45	-2.0	-105.88	348.39	0.47	-105.41
CC1=C([O-])N=C(C(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030227530	1	45	-2.0	-105.88	348.39	0.47	-105.41
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)N([O-])C=C1	REAL300030227548	0	46	-2.0	-103.15	343.32	3.18	-99.97
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1=CC=CC(=O)N1[O-]	REAL300030227573	0	46	-2.0	-123.04	351.57	3.28	-119.76
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)CC1=NC([O-])=CS1	REAL300030227692	0	45	-2.0	-103.89	375.71	0.15	-103.74
CC1=CC(=O)C(C(=O)N2C3CCC2CC(N(C)C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300030227862	0	47	-2.0	-97.15	350.12	3.60	-93.55
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1=NC(=O)N[N-]1	REAL300030227873	0	42	-2.0	-96.64	316.22	-0.93	-97.57
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)N(C)[N-]1	REAL300030228074	0	46	-2.0	-94.85	344.16	1.52	-93.33
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300030228180	0	44	-2.0	-91.58	335.09	-1.87	-93.45
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300030228180	1	44	-2.0	-91.58	335.09	-1.87	-93.45
CN(C(=O)C1=NC=CC=C1O)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228535	0	45	-2.0	-97.82	357.04	4.20	-93.62
CN(C(=O)C1=NC=CC=C1[O-])C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228535	1	45	-2.0	-97.82	357.04	4.20	-93.62
CN(C(=O)C1=NNC(=O)[N-]C1=O)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228632	0	44	-2.0	-93.31	333.00	-2.46	-95.77
CN(C(=O)CN1C(=O)[N-]NC1=O)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030228728	0	46	-2.0	-97.22	350.17	-0.91	-98.13
CN(C(=O)C1=CC([O-])=CC(C#N)=C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229515	1	47	-2.0	-88.81	360.21	3.17	-85.64
CN(C(=O)C1=COC(=O)[N-]1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229573	1	42	-2.0	-87.49	316.56	-0.06	-87.55
CN(C(=O)C1=CC=C([O-])C=C1F)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229643	1	46	-2.0	-94.28	342.14	2.67	-91.61
CN(C(=O)C1=CC([O-])=CC(=O)O1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229648	0	45	-2.0	-87.61	365.10	2.79	-84.82
CN(C(=O)C1=CC=C(C#N)C([O-])=C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229650	1	47	-2.0	-90.95	383.48	3.76	-87.19
CC1=CC=C([O-])C(C(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=N1	REAL300030229701	1	48	-2.0	-108.75	355.13	3.99	-104.76
CN(C(=O)C1=C[N-]N=CC1=O)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229713	0	44	-2.0	-77.73	321.33	0.79	-76.94
CN(C(=O)C1=CC=CC(F)=C1[O-])C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229718	0	46	-2.0	-99.70	368.97	4.51	-95.19
CN(C(=O)C1=CC=CC([O-])=C1F)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229779	1	46	-2.0	-97.17	369.21	3.45	-93.72
CN(C(=O)C1=CC(=O)N[N-]1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229842	0	43	-2.0	-92.58	321.50	-0.16	-92.74
CN(C(=O)C(=O)[PH](C)(C)[O-])C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229847	0	48	-2.0	-85.67	356.05	1.29	-84.38
CN(C(=O)CC1=CC(=O)N(C)[N-]1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229850	0	49	-2.0	-100.74	367.97	1.89	-98.85
CN(C(=O)C1=CC(=O)N([O-])C=C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229899	0	46	-2.0	-101.46	375.93	4.09	-97.37
CN(C(=O)C1=NC(=O)N[N-]1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229916	0	42	-2.0	-87.28	339.38	-0.16	-87.44
CN(C(=O)C1=CC=CN([O-])C1=O)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229920	0	46	-2.0	-110.84	344.30	3.21	-107.63
CN(C(=O)C1=NC(N)=CC(=O)[N-]1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030229993	0	46	-2.0	-93.89	369.17	0.16	-93.73
CN(C(=O)C1=CC(F)=CC=C1[O-])C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230022	1	46	-2.0	-93.37	365.32	4.84	-88.53
CC1=CC=NC(C(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300030230066	1	48	-2.0	-107.49	353.85	4.11	-103.38
CN(C(=O)C1=CN=CC([O-])=C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230129	1	45	-2.0	-89.29	358.08	1.54	-87.75
CN(C(=O)CC1=NC([O-])=CS1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230220	0	45	-2.0	-103.95	374.07	0.08	-103.87
CN(C(=O)C1=CC=C(F)C=C1[O-])C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230231	0	46	-2.0	-101.08	341.87	2.93	-98.15
CC1=CC(=O)C(C(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030230322	0	47	-2.0	-90.11	373.76	4.19	-85.92
CN(C(=O)C1=CC=CC(=O)N1[O-])C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230335	0	46	-2.0	-122.40	342.43	4.10	-118.30
CN(C(=O)C1=CC=C(C#N)[N-]C1=O)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230351	0	46	-2.0	-97.85	352.46	1.78	-96.07
CN(C(=O)C1=NN(C)C(=O)[N-]1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230376	0	45	-2.0	-92.13	362.49	0.59	-91.54
CN(C(=O)C1=CC=C(C#N)C=C1[O-])C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230407	0	47	-2.0	-99.02	356.27	3.29	-95.73
CN(C(=O)C1=CC(C#N)=CC=C1[O-])C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230412	0	47	-2.0	-90.97	379.75	5.20	-85.77
CN(C(=O)C1=CC=C(F)C([O-])=C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230497	1	46	-2.0	-94.88	369.51	3.37	-91.51
CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230544	0	44	-2.0	-84.07	358.73	-1.15	-85.22
CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230544	1	44	-2.0	-84.07	358.73	-1.15	-85.22
CN(C(=O)C1=CN=C(N)NC1=O)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230575	0	46	-2.0	-100.73	340.78	0.64	-100.09
CN(C(=O)C1=CN=C(N)[N-]C1=O)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230575	1	46	-2.0	-100.73	340.78	0.64	-100.09
CN(C(=O)C1=CC(=O)[N-]O1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230659	0	42	-2.0	-96.74	316.42	-0.05	-96.79
CC1SC(C(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030230673	0	45	-2.0	-95.17	371.69	1.26	-93.91
CC1=C([O-])N=C(C(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)S1	REAL300030230673	1	45	-2.0	-95.17	371.69	1.26	-93.91
CN(C(=O)C(=O)C1=CC=C(O)C=C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230744	0	48	-2.0	-97.42	359.19	2.98	-94.44
CN(C(=O)C(=O)C1=CC=C([O-])C=C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230744	1	48	-2.0	-97.42	359.19	2.98	-94.44
CN(C(=O)C1=CC(=O)NC([O-])=C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230776	0	46	-2.0	-86.62	344.70	-1.69	-88.31
CCN1[N-]C(C(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030230818	0	49	-2.0	-95.90	365.99	2.48	-93.42
CN(C(=O)C1=CC(=O)N(C)[N-]1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230830	0	46	-2.0	-88.81	367.43	2.16	-86.65
CN(C(=O)CC1=CC(=O)N[N-]1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230900	1	46	-2.0	-98.83	345.14	0.18	-98.65
CN(C(=O)C1=CC=C([O-])C(F)=C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230904	1	46	-2.0	-90.99	369.49	3.41	-87.58
CC1=CN=C(C(=O)N(C)C2CC3CCC(C2)N3C(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030230962	1	48	-2.0	-99.23	378.48	4.84	-94.39
CN(C(=O)C1=CC([O-])=CS1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230974	0	43	-2.0	-96.14	352.21	2.12	-94.02
CN(C(=O)C1=CN([O-])C(=O)C=C1)C1CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030230985	0	46	-2.0	-100.09	366.39	3.83	-96.26
C=CCC1(NC(=O)C2=NNC(=O)[N-]C2=O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231813	0	44	-2.0	-96.50	364.62	-2.63	-99.13
C=CCC1(NC(=O)CN2C(=O)[N-]NC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030231866	0	46	-2.0	-92.33	378.71	-0.84	-93.17
C=CCC1(NC(=O)C2=CN([O-])C(=O)C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030232221	0	46	-2.0	-107.01	375.60	3.62	-103.39
C=CCC1(NC(=O)C2=CC(=O)NC([O-])=C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030232294	0	46	-2.0	-89.16	376.02	-1.35	-90.51
C=CCC1(NC(=O)C2=COC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030232305	1	42	-2.0	-89.35	348.07	-1.52	-90.87
C=CCC1(NC(=O)C2=CC(=O)N(CC)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030232415	0	49	-2.0	-88.28	398.35	2.20	-86.08
C=CCC1(NC(=O)CC2=CC(=O)N[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030232421	1	46	-2.0	-93.10	373.42	0.08	-93.02
C=CCC1(NC(=O)C2=NN(C)C(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030232444	0	45	-2.0	-91.47	370.08	-0.34	-91.81
C=CCC1(NC(=O)C2=C[N-]N=CC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030232499	0	44	-2.0	-78.58	356.99	1.61	-76.97
C=CCC1(NC(=O)C2=CC(=O)N[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030232562	0	43	-2.0	-85.29	352.77	-0.56	-85.85
C=CCC1(NC(=O)C(=O)[PH](C)(C)[O-])CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030232566	0	48	-2.0	-90.70	385.72	0.98	-89.72
C=CCC1(NC(=O)CCC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030232587	0	48	-2.0	-93.60	388.97	-0.25	-93.85
C=CCC1(NC(=O)C2=CC=CN([O-])C2=O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030232590	0	46	-2.0	-99.60	373.22	3.73	-95.87
C=CCC1(NC(=O)C2=NC(=O)C(C)S2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030232610	0	45	-2.0	-94.01	379.90	-0.28	-94.29
C=CCC1(NC(=O)C2=NC([O-])=C(C)S2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030232610	1	45	-2.0	-94.01	379.90	-0.28	-94.29
C=CCC1(NC(=O)C2=CC(=O)N([O-])C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030232623	0	46	-2.0	-102.12	376.15	3.66	-98.46
C=CCC1(NC(=O)C2=CC=CC(=O)N2[O-])CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030232644	0	46	-2.0	-97.41	371.65	3.51	-93.90
C=CCC1(NC(=O)CC2=NC([O-])=CS2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030232743	0	45	-2.0	-108.85	379.43	-0.63	-109.48
C=CCC1(NC(=O)C2=N[N-]C(C)=CC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030232889	0	47	-2.0	-95.04	381.82	3.23	-91.81
C=CCC1(NC(=O)C2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030232898	0	42	-2.0	-88.29	348.29	-1.89	-90.18
C=CCC1(NC(=O)C2=CC(=O)N(C)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030233069	0	46	-2.0	-87.57	376.54	1.27	-86.30
C=CCC1(NC(=O)C2=NC(=O)[N-]C(=O)N2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030233157	0	44	-2.0	-83.46	366.91	-2.69	-86.15
C=CCC1(NC(=O)C2=NC(=O)NC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030233157	1	44	-2.0	-83.46	366.91	-2.69	-86.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=CC=C2O)CC1	REAL300030233497	0	45	-2.0	-99.50	364.62	3.57	-95.93
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=CC=C2[O-])CC1	REAL300030233497	1	45	-2.0	-99.50	364.62	3.57	-95.93
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1	REAL300030233600	0	44	-2.0	-92.01	364.53	-2.24	-94.25
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2C(=O)[N-]NC2=O)CC1	REAL300030233708	0	46	-2.0	-96.82	381.67	-0.68	-97.50
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)CC1	REAL300030234644	1	47	-2.0	-82.71	390.24	3.11	-79.60
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=COC(=O)[N-]2)CC1	REAL300030234714	1	42	-2.0	-86.52	348.28	0.12	-86.40
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C([O-])C=C2F)CC1	REAL300030234787	1	46	-2.0	-90.01	376.43	2.87	-87.14
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1	REAL300030234792	0	45	-2.0	-93.38	373.94	2.27	-91.11
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)CC1	REAL300030234795	1	47	-2.0	-93.14	392.51	3.30	-89.84
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC(C)=CC=C2[O-])CC1	REAL300030234854	1	48	-2.0	-103.85	386.03	4.13	-99.72
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC2=NC(=O)[N-]N2)CC1	REAL300030234855	1	48	-2.0	-97.14	391.55	-0.66	-97.80
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C[N-]N=CC2=O)CC1	REAL300030234866	0	44	-2.0	-83.48	357.96	1.33	-82.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1	REAL300030234873	0	46	-2.0	-99.66	377.31	4.31	-95.35
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC([O-])=C2F)CC1	REAL300030234945	1	46	-2.0	-96.98	377.61	3.06	-93.92
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)N[N-]2)CC1	REAL300030235020	0	43	-2.0	-88.40	352.20	-0.08	-88.48
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(=O)[PH](C)(C)[O-])CC1	REAL300030235026	0	48	-2.0	-86.46	387.35	0.94	-85.52
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1	REAL300030235085	0	46	-2.0	-104.61	375.49	3.30	-101.31
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC(=O)N[N-]2)CC1	REAL300030235102	0	42	-2.0	-85.14	346.94	-0.67	-85.81
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CN([O-])C2=O)CC1	REAL300030235107	0	46	-2.0	-104.54	376.31	3.47	-101.07
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(F)=CC=C2O)CC1	REAL300030235227	0	46	-2.0	-93.94	377.49	4.31	-89.63
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1	REAL300030235227	1	46	-2.0	-93.94	377.49	4.31	-89.63
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=CC(C)=C2O)CC1	REAL300030235274	0	48	-2.0	-101.68	386.80	3.69	-97.99
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=CC(C)=C2[O-])CC1	REAL300030235274	1	48	-2.0	-101.68	386.80	3.69	-97.99
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN=CC(O)=C2)CC1	REAL300030235342	0	45	-2.0	-92.12	365.21	0.93	-91.19
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN=CC([O-])=C2)CC1	REAL300030235342	1	45	-2.0	-92.12	365.21	0.93	-91.19
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2=NC([O-])=CS2)CC1	REAL300030235444	0	45	-2.0	-111.25	382.51	-0.32	-111.57
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C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(F)C(O)=C2)CC1	REAL300030235774	0	46	-2.0	-101.44	375.63	2.78	-98.66
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C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030235969	0	42	-2.0	-94.41	347.65	-0.04	-94.45
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C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1	REAL300030236353	0	46	-2.0	-104.94	375.08	3.28	-101.66
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O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300030238550	0	45	-2.0	-90.22	382.48	-2.06	-92.28
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300030238561	1	41	-2.0	-89.82	354.55	-2.22	-92.04
CCN1[N-]C(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030238739	0	48	-2.0	-95.08	403.92	1.41	-93.67
O=C(CC1=CC(=O)N[N-]1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238747	1	45	-2.0	-103.24	380.06	-0.61	-103.85
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=S)N1[O-]	REAL300030238766	0	45	-2.0	-131.38	390.45	4.86	-126.52
O=C(CC1SC(=O)[N-]C1=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238776	0	45	-2.0	-93.04	393.17	-2.08	-95.12
CN1N=C(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030238792	0	44	-2.0	-98.14	376.59	-1.05	-99.19
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300030238884	0	43	-2.0	-83.64	363.48	0.90	-82.74
CC1=C(CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300030238928	0	51	-2.0	-105.92	422.87	1.81	-104.11
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300030238994	0	42	-2.0	-91.21	359.26	-1.26	-92.47
C[PH](C)([O-])C(=O)C(=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030238999	0	47	-2.0	-92.25	397.98	0.08	-92.17
CN1[N-]C(CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030239002	0	48	-2.0	-105.47	402.90	1.12	-104.35
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300030239033	0	45	-2.0	-100.03	379.12	2.97	-97.06
CC1=C([O-])N=C(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300030239064	1	44	-2.0	-95.53	385.92	-1.10	-96.63
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)[N-]1	REAL300030239078	1	44	-2.0	-88.20	389.53	2.07	-86.13
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300030239097	0	45	-2.0	-109.38	382.39	2.83	-106.55
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300030239136	0	45	-2.0	-127.78	379.33	3.82	-123.96
O=C(C[N-]C(=O)C(F)(F)F)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239266	0	44	-2.0	-91.28	388.15	-1.34	-92.62
NC1=NC([O-])=C(CC(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300030239267	0	46	-2.0	-110.99	400.73	-2.18	-113.17
O=C(CC1=NC([O-])=CS1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239315	0	44	-2.0	-113.06	385.91	-1.31	-114.37
CCC1=NC=C(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030239333	1	49	-2.0	-89.09	404.04	1.25	-87.84
O=C(CN1N=CC(=O)[N-]C1=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239342	0	46	-2.0	-103.54	395.41	-2.76	-106.30
CC1=CC(=O)C(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030239563	0	46	-2.0	-96.75	388.02	2.55	-94.20
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]1	REAL300030239579	0	41	-2.0	-95.04	353.87	-2.70	-97.74
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C=N[O-])S1	REAL300030239701	0	44	-2.0	-102.89	394.63	0.33	-102.56
COC1=NC(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030239716	0	47	-2.0	-96.08	400.10	-3.22	-99.30
CN1[N-]C(C(=O)NCCC[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030239880	0	45	-2.0	-94.14	382.08	0.45	-93.69
O=C(CSC1=NNC(=O)[N-]1)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030239887	0	45	-2.0	-96.19	396.38	-1.40	-97.59
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300030240054	0	43	-2.0	-91.45	372.50	-4.30	-95.75
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300030240054	1	43	-2.0	-87.42	373.16	-3.54	-90.96
O=C(CN1[N-]C(=O)C=CC1=O)NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030240213	0	47	-2.0	-101.67	401.17	-0.65	-102.32
O=C(NCCC[C@H]1CCCN1C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030240466	1	44	-2.0	-106.87	371.04	2.75	-104.12
O=C(NCCC[C@H]1CCCN1C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300030240586	0	43	-2.0	-97.23	370.62	-3.04	-100.27
O=C(CN1C(=O)[N-]NC1=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030240742	0	45	-2.0	-97.64	386.81	-1.54	-99.18
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(Cl)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030241982	1	45	-2.0	-106.67	381.86	3.74	-102.93
N#CC1=CC([O-])=CC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030242006	1	46	-2.0	-89.00	389.50	2.11	-86.89
CCC1=NC=C(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030242080	1	49	-2.0	-94.52	401.09	0.82	-93.70
O=C(NCCC[C@H]1CCCN1C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030242096	1	41	-2.0	-89.64	354.29	-1.10	-90.74
O=C(C[N-]C(=O)C(F)(F)F)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242166	0	44	-2.0	-90.97	392.11	-1.25	-92.22
NC1=NC([O-])=C(CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030242167	0	46	-2.0	-108.87	402.97	-2.08	-110.95
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300030242188	1	45	-2.0	-99.32	371.30	1.83	-97.49
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300030242194	0	44	-2.0	-90.54	379.30	1.50	-89.04
N#CC1=CC=C(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300030242201	1	46	-2.0	-90.76	387.11	2.23	-88.53
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(Cl)=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300030242204	0	44	-2.0	-103.36	376.78	1.90	-101.46
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242218	0	46	-2.0	-100.93	397.22	-2.65	-103.58
CC1=CC=C([O-])C(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030242277	1	47	-2.0	-107.90	392.64	3.33	-104.57
O=C(CCC1=NNC(=O)[N-]1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242278	0	47	-2.0	-92.84	397.18	-0.90	-93.74
O=C(NCCC[C@H]1CCCN1C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300030242296	0	43	-2.0	-85.65	353.48	0.27	-85.38
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300030242304	0	45	-2.0	-116.51	371.05	3.30	-113.21
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300030242392	1	45	-2.0	-114.99	371.37	1.90	-113.09
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300030242484	0	42	-2.0	-91.50	359.13	-0.94	-92.44
C[PH](C)([O-])C(=O)C(=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030242489	0	47	-2.0	-90.80	390.98	0.20	-90.60
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030242573	0	45	-2.0	-113.67	372.81	2.39	-111.28
O=C(NCCC[C@H]1CCCN1C(=O)C1=NNC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030242599	0	41	-2.0	-95.51	353.77	-2.40	-97.91
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300030242604	0	45	-2.0	-106.37	376.38	2.53	-103.84
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(F)=CC=C1O)C1=CC(=O)[N-]O1	REAL300030242751	0	45	-2.0	-105.79	371.54	3.29	-102.50
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030242751	1	45	-2.0	-105.79	371.54	3.29	-102.50
CC1=CC=NC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)=C1O	REAL300030242811	0	47	-2.0	-106.66	391.37	3.44	-103.22
CC1=CC=NC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300030242811	1	47	-2.0	-106.66	391.37	3.44	-103.22
O=C(NCCC[C@H]1CCCN1C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030242919	1	44	-2.0	-103.53	362.23	-0.07	-103.60
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC=CC(=S)N1[O-])C1=CC(=O)[N-]O1	REAL300030242929	0	45	-2.0	-117.61	392.62	3.07	-114.54
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC=C([O-])C(Cl)=N1)C1=CC(=O)[N-]O1	REAL300030243035	0	44	-2.0	-85.64	387.96	1.63	-84.01
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC=C([O-])C=C1Cl)C1=CC(=O)[N-]O1	REAL300030243078	1	45	-2.0	-97.20	379.30	2.26	-94.94
N#CC1=CC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)=C([O-])C=C1N	REAL300030243079	0	48	-2.0	-103.73	398.91	1.47	-102.26
O=C(CC1=NC([O-])=CS1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243086	0	44	-2.0	-109.53	388.15	-1.21	-110.74
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243100	0	47	-2.0	-99.89	403.78	-0.54	-100.43
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300030243101	0	45	-2.0	-110.11	371.02	3.22	-106.89
O=C(CC1SC(=O)[N-]C1=O)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030243188	0	45	-2.0	-89.33	395.45	-1.93	-91.26
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC=C([O-])C(F)=C1F)C1=CC(=O)[N-]O1	REAL300030243208	0	45	-2.0	-102.04	377.58	1.97	-100.07
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300030243215	0	45	-2.0	-110.31	380.85	3.76	-106.55
CC1=CC(=O)C(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030243239	0	46	-2.0	-95.83	386.46	2.86	-92.97
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300030243259	0	45	-2.0	-115.48	381.52	2.45	-113.03
N#CC1=CC=C(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030243281	0	45	-2.0	-88.56	386.01	0.31	-88.25
CN1N=C(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030243328	0	44	-2.0	-97.97	375.18	-0.70	-98.67
N#CC1=CC=C([O-])C(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030243378	0	46	-2.0	-101.67	385.69	3.63	-98.04
O=C(NCCC[C@H]1CCCN1C(=O)C1=CN([O-])C(=O)NC1=O)C1=CC(=O)[N-]O1	REAL300030243463	0	45	-2.0	-95.22	381.34	-0.02	-95.24
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC=C(F)C(O)=C1)C1=CC(=O)[N-]O1	REAL300030243511	0	45	-2.0	-110.97	373.21	1.84	-109.13
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300030243511	1	45	-2.0	-110.97	373.21	1.84	-109.13
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC=C(Cl)C=C1O)C1=CC(=O)[N-]O1	REAL300030243527	0	45	-2.0	-109.64	381.34	3.68	-105.96
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC=C(Cl)C=C1[O-])C1=CC(=O)[N-]O1	REAL300030243527	1	45	-2.0	-109.64	381.34	3.68	-105.96
O=C(NCCC[C@H]1CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300030243587	0	43	-2.0	-91.08	372.16	-3.40	-94.48
O=C(NCCC[C@H]1CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030243587	1	43	-2.0	-87.31	372.69	-2.59	-89.90
NC1=NC=C(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030243636	1	45	-2.0	-95.02	374.22	-0.82	-95.84
CC1=C(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300030243657	0	48	-2.0	-83.93	407.10	2.40	-81.53
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC=C(F)C([O-])=C1F)C1=CC(=O)[N-]O1	REAL300030243669	0	45	-2.0	-114.37	377.54	1.94	-112.43
COC1=NC(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030243714	0	47	-2.0	-95.41	395.53	-2.37	-97.78
O=C(NCCC[C@H]1CCCN1C(=O)C1=NC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300030243720	0	44	-2.0	-102.66	387.23	3.26	-99.40
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC=C(Cl)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300030243751	0	45	-2.0	-106.52	383.00	2.36	-104.16
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300030243759	0	44	-2.0	-109.95	359.77	1.35	-108.60
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300030243764	0	41	-2.0	-94.51	354.12	-0.75	-95.26
CC1=C([O-])N=C(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030243784	1	44	-2.0	-95.12	386.01	-0.29	-95.41
O=C(NCCC[C@H]1CCCN1C(=O)C(=O)C1=CC=C([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030243871	1	47	-2.0	-93.19	396.54	2.28	-90.91
O=C(NCCC[C@H]1CCCN1C(=O)C1=CN=C(C=N[O-])S1)C1=CC(=O)[N-]O1	REAL300030243891	0	44	-2.0	-106.58	385.52	-0.05	-106.63
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=CC(=O)[N-]O1	REAL300030243911	1	44	-2.0	-88.10	389.03	2.62	-85.48
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030243933	0	45	-2.0	-93.85	373.22	-2.52	-96.37
CCN1[N-]C(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030243990	0	48	-2.0	-95.54	403.67	1.72	-93.82
CN1[N-]C(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030244006	0	45	-2.0	-93.66	380.47	0.82	-92.84
O=C(CSC1=NNC(=O)[N-]1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030244015	0	45	-2.0	-93.63	398.92	-1.24	-94.87
O=C(CC1=CC(=O)N[N-]1)N1CCC[C@@H]1CCCNC(=O)C1=CC(=O)[N-]O1	REAL300030244126	1	45	-2.0	-99.88	381.80	-0.47	-100.35
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300030244131	1	45	-2.0	-100.90	373.18	1.90	-99.00
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(F)=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300030244169	0	45	-2.0	-98.86	379.36	1.97	-96.89
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC=NC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300030244173	0	44	-2.0	-108.29	376.09	1.93	-106.36
CC1=C(CC(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300030244187	0	51	-2.0	-102.64	424.68	1.96	-100.68
CC1=CN=C(C(=O)N2CCC[C@@H]2CCCNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030244223	1	47	-2.0	-107.52	391.13	3.40	-104.12
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300030244244	0	42	-2.0	-108.19	359.36	0.78	-107.41
O=C(NCCC[C@H]1CCCN1C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300030244257	0	45	-2.0	-114.00	372.45	2.37	-111.63
O=C(NCCC[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)NC1=O	REAL300030244284	0	45	-2.0	-90.84	384.39	0.44	-90.40
CC1(C)CC(NC(=O)C2=NNC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030245618	0	43	-2.0	-111.33	360.59	-3.45	-114.78
CC1(C)CC(NC(=O)CN2C(=O)[N-]NC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030245714	0	45	-2.0	-118.79	374.68	-1.78	-120.57
CC1(C)CC(NC(=O)C2=CN([O-])C(=O)C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246367	0	45	-2.0	-123.30	371.50	2.63	-120.67
CC1(C)CC(NC(=O)C2=CC(=O)NC([O-])=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246489	0	45	-2.0	-100.66	372.10	-2.20	-102.86
CC1(C)CC(NC(=O)C2=COC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246500	1	41	-2.0	-97.06	344.23	-2.34	-99.40
CC1(C)CC([N-]C(=O)C(F)(F)C(F)(F)F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246595	1	40	-2.0	-87.38	346.94	0.83	-86.55
CCN1[N-]C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)=CC1=O	REAL300030246678	0	48	-2.0	-107.48	393.60	1.29	-106.19
CC1(C)CC(NC(=O)CC2=CC(=O)N[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246686	1	45	-2.0	-119.84	369.47	-0.86	-120.70
CC1(C)CC(NC(=O)C2=CC=CC(=S)N2[O-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246705	0	45	-2.0	-152.22	380.25	4.76	-147.46
CC1(C)CC(NC(=O)CC2SC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246715	0	45	-2.0	-101.89	382.84	-2.21	-104.10
CN1N=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)[N-]C1=O	REAL300030246731	0	44	-2.0	-111.12	366.38	-1.15	-112.27
CC1(C)CC(NC(=O)C2=C[N-]N=CC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246823	0	43	-2.0	-93.77	352.90	0.66	-93.11
CC1=C(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C(=O)N(C)[N-]1	REAL300030246867	0	51	-2.0	-125.49	412.49	1.66	-123.83
CC1(C)CC(NC(=O)C2=CC(=O)N[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246933	0	42	-2.0	-102.89	349.03	-1.38	-104.27
CC1(C)CC(NC(=O)C(=O)[PH](C)(C)[O-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246938	0	47	-2.0	-103.47	383.00	0.03	-103.44
CN1[N-]C(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)=CC1=O	REAL300030246941	0	48	-2.0	-121.86	392.31	0.86	-121.00
CC1(C)CC(NC(=O)CCC2=NC(=O)[N-]N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246967	1	47	-2.0	-107.29	384.60	-1.82	-109.11
CC1(C)CC(NC(=O)C2=CC=CN([O-])C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030246972	0	45	-2.0	-105.14	368.97	2.74	-102.40
CC1=C([O-])N=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)S1	REAL300030247003	1	44	-2.0	-101.70	375.57	-1.25	-102.95
CC1(C)CC(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247017	1	44	-2.0	-101.13	378.82	1.80	-99.33
CC1(C)CC(NC(=O)C2=CC(=O)N([O-])C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247036	0	45	-2.0	-121.97	371.87	2.62	-119.35
CC1(C)CC(NC(=O)C2=CC=CC(=O)N2[O-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247075	0	45	-2.0	-148.23	369.14	3.72	-144.51
CC1(C)CC(NC(=O)C[N-]C(=O)C(F)(F)F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247205	0	44	-2.0	-105.98	378.80	-1.60	-107.58
CC1(C)CC(NC(=O)CC2=C([O-])N=C(N)S2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247206	0	46	-2.0	-135.08	390.36	-2.34	-137.42
CC1(C)CC(NC(=O)CC2=NC([O-])=CS2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247254	0	44	-2.0	-127.23	375.32	-1.57	-128.80
CCC1=NC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C(=O)[N-]1	REAL300030247272	1	49	-2.0	-98.76	393.87	1.04	-97.72
CC1(C)CC(NC(=O)CN2N=CC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247281	0	46	-2.0	-117.06	384.83	-3.00	-120.06
CC1=CC(=O)C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)=N[N-]1	REAL300030247502	0	46	-2.0	-112.91	377.39	2.28	-110.63
CC1(C)CC(NC(=O)C2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247518	0	41	-2.0	-108.55	343.21	-2.94	-111.49
CC1(C)CC(NC(=O)C2=CN=C(C=N[O-])S2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247640	0	44	-2.0	-111.15	384.10	0.12	-111.03
COC1=NC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)=CC(=O)[N-]1	REAL300030247655	0	47	-2.0	-109.08	389.39	-3.48	-112.56
CN1[N-]C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)=CC1=O	REAL300030247819	0	45	-2.0	-106.35	371.87	0.36	-105.99
CC1(C)CC(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247826	0	45	-2.0	-106.19	386.01	-1.55	-107.74
CC1(C)CC(NC(=O)C2=NC(=O)[N-]C(=O)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247993	0	43	-2.0	-97.90	362.15	-4.43	-102.33
CC1(C)CC(NC(=O)C2=NC(=O)NC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030247993	1	43	-2.0	-98.91	362.44	-3.78	-102.69
CC1(C)CC(NC(=O)CN2[N-]C(=O)C=CC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030248152	0	47	-2.0	-120.71	390.59	-0.90	-121.61
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300030248405	1	44	-2.0	-103.40	360.99	2.68	-100.72
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300030248536	0	43	-2.0	-98.66	360.58	-3.13	-101.79
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300030248716	0	45	-2.0	-97.59	377.62	-1.61	-99.20
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300030250205	1	45	-2.0	-109.31	385.58	2.85	-106.46
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300030250231	1	46	-2.0	-98.26	389.63	2.35	-95.91
CCC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C(=O)[N-]1	REAL300030250323	1	49	-2.0	-100.89	402.92	0.86	-100.03
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300030250342	1	41	-2.0	-102.14	344.00	-0.87	-103.01
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300030250413	0	44	-2.0	-96.99	382.04	-1.35	-98.34
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300030250414	0	46	-2.0	-109.22	393.21	-2.14	-111.36
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300030250424	0	45	-2.0	-98.82	385.67	2.28	-96.54
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300030250440	1	45	-2.0	-103.27	376.61	2.11	-101.16
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300030250446	0	44	-2.0	-91.01	371.33	1.47	-89.54
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300030250454	1	46	-2.0	-102.92	388.95	2.41	-100.51
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300030250457	0	44	-2.0	-104.30	380.80	0.83	-103.47
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300030250475	0	46	-2.0	-97.92	387.93	-2.76	-100.68
CC1=CC=C([O-])C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)=N1	REAL300030250540	1	47	-2.0	-114.42	385.15	2.72	-111.70
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300030250561	0	43	-2.0	-87.35	357.72	0.49	-86.86
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300030250572	0	45	-2.0	-110.78	372.61	3.23	-107.55
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300030250671	1	45	-2.0	-109.35	372.75	2.02	-107.33
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300030250782	0	42	-2.0	-96.70	348.83	-0.94	-97.64
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300030250788	0	47	-2.0	-95.36	383.44	0.42	-94.94
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=CC(F)=C2[O-])C1	REAL300030250861	0	45	-2.0	-105.75	382.57	2.51	-103.24
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300030250886	0	45	-2.0	-113.10	372.41	2.50	-110.60
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300030250912	0	41	-2.0	-102.40	343.36	-1.59	-103.99
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300030250915	1	45	-2.0	-100.15	387.06	2.60	-97.55
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300030250920	0	45	-2.0	-109.88	378.13	2.68	-107.20
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300030250949	1	45	-2.0	-108.67	385.47	2.23	-106.44
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1	REAL300030251039	0	45	-2.0	-103.82	373.50	-1.35	-105.17
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300030251093	0	45	-2.0	-100.65	384.76	2.56	-98.09
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300030251098	1	45	-2.0	-104.09	372.66	3.26	-100.83
CC1=CC=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)=C1[O-]	REAL300030251163	1	47	-2.0	-103.57	381.31	3.37	-100.20
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300030251284	1	44	-2.0	-103.25	362.81	0.07	-103.18
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300030251294	0	45	-2.0	-114.86	382.82	3.47	-111.39
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300030251411	0	44	-2.0	-86.46	379.85	1.50	-84.96
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300030251455	1	45	-2.0	-102.25	385.24	2.53	-99.72
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1	REAL300030251457	0	48	-2.0	-107.11	400.22	1.46	-105.65
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300030251467	0	44	-2.0	-104.51	378.43	-1.27	-105.78
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300030251482	0	45	-2.0	-101.72	379.10	2.25	-99.47
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300030251484	0	47	-2.0	-99.24	393.66	-0.66	-99.90
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300030251485	0	45	-2.0	-108.02	376.35	2.44	-105.58
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC(C)(C)C1	REAL300030251522	0	48	-2.0	-116.18	398.53	2.81	-113.37
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300030251593	0	45	-2.0	-93.43	386.15	-2.02	-95.45
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300030251618	0	45	-2.0	-98.96	380.89	2.13	-96.83
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300030251625	0	45	-2.0	-105.76	382.41	3.70	-102.06
CC1=CC(=O)C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)=N[N-]1	REAL300030251654	0	46	-2.0	-100.16	377.78	2.75	-97.41
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300030251680	0	45	-2.0	-111.83	371.71	2.83	-109.00
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300030251710	0	45	-2.0	-93.74	387.84	0.39	-93.35
CN1N=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)[N-]C1=O	REAL300030251762	0	44	-2.0	-102.12	366.38	-0.78	-102.90
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300030251816	0	46	-2.0	-107.26	389.84	0.33	-106.93
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300030251816	1	46	-2.0	-107.26	389.84	0.33	-106.93
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300030251825	0	46	-2.0	-100.86	389.76	2.76	-98.10
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300030251920	0	45	-2.0	-104.14	383.24	0.05	-104.09
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300030251976	1	45	-2.0	-107.71	374.98	2.03	-105.68
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300030251995	1	45	-2.0	-107.65	386.67	2.88	-104.77
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300030252067	0	43	-2.0	-87.44	362.98	-2.67	-90.11
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300030252067	1	43	-2.0	-87.44	362.98	-2.67	-90.11
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(N)NC2=O)C1	REAL300030252127	0	45	-2.0	-101.08	376.29	-0.80	-101.88
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300030252127	1	45	-2.0	-101.08	376.29	-0.80	-101.88
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)[N-]C(=O)C(C#N)=C1	REAL300030252149	0	48	-2.0	-108.01	407.76	0.84	-107.17
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300030252220	0	44	-2.0	-99.21	377.17	3.19	-96.02
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030252273	0	41	-2.0	-104.47	343.80	-0.87	-105.34
CC1SC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)=NC1=O	REAL300030252298	0	44	-2.0	-113.14	375.60	-0.17	-113.31
CC1=C([O-])N=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)S1	REAL300030252298	1	44	-2.0	-113.14	375.60	-0.17	-113.31
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(=O)C2=CC=C(O)C=C2)C1	REAL300030252394	0	47	-2.0	-98.43	395.41	2.02	-96.41
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300030252394	1	47	-2.0	-98.43	395.41	2.02	-96.41
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300030252417	0	44	-2.0	-102.93	384.19	0.03	-102.90
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)C=C(Cl)N2)C1	REAL300030252441	0	44	-2.0	-89.10	379.08	2.55	-86.55
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300030252441	1	44	-2.0	-89.10	379.08	2.55	-86.55
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300030252465	0	45	-2.0	-99.36	378.90	-2.22	-101.58
CCN1[N-]C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)=CC1=O	REAL300030252526	0	48	-2.0	-99.02	393.41	1.70	-97.32
CN1[N-]C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)=CC1=O	REAL300030252547	0	45	-2.0	-98.37	371.60	0.76	-97.61
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300030252557	0	45	-2.0	-97.53	388.89	-1.30	-98.83
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC(=O)NN2)C1	REAL300030252694	0	45	-2.0	-97.78	372.58	-0.57	-98.35
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300030252694	1	45	-2.0	-97.78	372.58	-0.57	-98.35
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(O)C(F)=C2)C1	REAL300030252699	0	45	-2.0	-104.65	374.97	2.08	-102.57
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300030252699	1	45	-2.0	-104.65	374.97	2.08	-102.57
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300030252747	0	45	-2.0	-104.50	381.18	2.13	-102.37
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300030252752	0	44	-2.0	-104.50	377.59	1.76	-102.74
CC1=CN=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C(O)=C1	REAL300030252804	0	47	-2.0	-114.95	384.99	2.78	-112.17
CC1=CN=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC(C)(C)C2)C([O-])=C1	REAL300030252804	1	47	-2.0	-114.95	384.99	2.78	-112.17
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300030252827	0	42	-2.0	-103.42	359.10	0.94	-102.48
CC1(C)CC(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300030252843	0	45	-2.0	-119.77	378.59	2.68	-117.09
CC1(C)CC(NC(=O)C2=CN([O-])C(=O)NC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030252873	0	45	-2.0	-101.47	374.27	0.22	-101.25
O=C(NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=COC(=O)[N-]1	REAL300030253715	1	45	-2.0	-88.92	368.88	-1.64	-90.56
O=C(CC1=CC(=O)N[N-]1)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253797	1	49	-2.0	-96.52	396.41	-0.04	-96.56
CN1N=C(C(=O)NC2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)[N-]C1=O	REAL300030253807	0	48	-2.0	-93.99	392.21	-0.36	-94.35
O=C(NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=C[N-]N=CC1=O	REAL300030253840	0	47	-2.0	-79.49	378.07	1.55	-77.94
O=C(NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC(=O)N[N-]1	REAL300030253876	0	46	-2.0	-88.38	374.96	-0.56	-88.94
C[PH](C)([O-])C(=O)C(=O)NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030253880	0	51	-2.0	-87.40	406.64	0.63	-86.77
O=C(NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=NC(=O)N[N-]1	REAL300030254070	0	45	-2.0	-86.60	368.43	-1.91	-88.51
CN1[N-]C(C(=O)NC2CCC3(CCN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC1=O	REAL300030254169	0	49	-2.0	-89.21	396.66	1.10	-88.11
O=C(NC1CCC2(CCN(C(=O)C3=NC=CC=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300030254536	1	48	-2.0	-101.30	387.04	3.31	-97.99
O=C(NC1CCC2(CCN(C(=O)C3=COC(=O)[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030255096	1	45	-2.0	-87.13	370.09	-0.39	-87.52
O=C(NC1CCC2(CCN(C(=O)C3=C[N-]N=CC3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300030255178	0	47	-2.0	-87.11	388.77	1.25	-85.86
O=C(NC1CCC2(CCN(C(=O)C3=CC(=O)N[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030255251	0	46	-2.0	-87.60	375.39	-0.39	-87.99
C[PH](C)([O-])C(=O)C(=O)N1CCC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030255255	0	51	-2.0	-87.34	412.18	0.74	-86.60
O=C(NC1CCC2(CCN(C(=O)C3=NC(=O)N[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030255289	0	45	-2.0	-87.20	370.17	-1.22	-88.42
O=C(NC1CCC2(CCN(C(=O)C3=CN=CC([O-])=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030255420	1	48	-2.0	-94.78	386.25	0.72	-94.06
CN1N=C(C(=O)N2CCC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)[N-]C1=O	REAL300030255548	0	48	-2.0	-94.06	392.83	-0.21	-94.27
O=C(NC1CCC2(CCN(C(=O)C3=CC=NC=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300030255707	0	48	-2.0	-101.67	383.23	2.46	-99.21
O=C(NC1CCC2(CCN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030255710	0	45	-2.0	-91.35	369.93	-0.08	-91.43
CN1[N-]C(C(=O)N2CCC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)=CC1=O	REAL300030255805	0	49	-2.0	-89.56	396.33	1.44	-88.12
O=C(CC1=CC(=O)N[N-]1)N1CCC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030255859	1	49	-2.0	-98.24	397.73	0.14	-98.10
O=C(NC1CCC2(CCN(C(=O)C3=CC([O-])=CS3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030255907	0	46	-2.0	-104.89	381.25	1.44	-103.45
C=CCC1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030256411	1	45	-2.0	-96.80	390.98	0.78	-96.02
C=CCC1(NC(=O)CCCN2C(=O)[N-]NC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257048	0	46	-2.0	-94.82	402.99	-1.48	-96.30
C=CCC1(NC(=O)CCC2=NNC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257255	0	44	-2.0	-93.37	391.04	-4.18	-97.55
C=CCC1(NC(=O)C2=CSC([N-]C(C)=O)=N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257256	1	42	-2.0	-90.88	384.92	-0.72	-91.60
C=CCC1(NC(=O)CCN2C=C[N-]C(=O)C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257411	1	45	-2.0	-96.80	396.78	-0.02	-96.82
C=CCC1(NC(=O)C2=C(OC)C(=O)[N-]C(=O)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257519	1	43	-2.0	-98.51	373.70	-3.43	-101.94
C=CCC1(NC(=O)C2=NNC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257640	0	38	-2.0	-94.85	346.34	-4.43	-99.28
C=CCC1(NC(=O)CN2C(=O)[N-]NC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257748	0	40	-2.0	-96.11	360.55	-2.58	-98.69
C=CCC1(NC(=O)CN2[N-]C=C3C2=NC=NC3=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030257885	0	44	-2.0	-96.19	394.36	0.24	-95.95
C=CCC1(NC(=O)C2=CN([O-])C(=O)C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258589	0	40	-2.0	-104.88	357.42	1.78	-103.10
C=CCC1(NC(=O)C2=CC(=O)NC([O-])=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258751	0	40	-2.0	-91.09	357.89	-3.12	-94.21
C=CCC1(NC(=O)C2=COC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258764	1	36	-2.0	-94.56	329.95	-3.27	-97.83
C=CCC1(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258813	1	48	-2.0	-96.78	406.73	1.32	-95.46
C=CCC1(NC(=O)C2=CC(=O)N(CC)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258984	0	43	-2.0	-95.46	379.33	0.35	-95.11
C=CCC1(NC(=O)CC2=CC(=O)N[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030258992	1	40	-2.0	-97.10	355.45	-1.64	-98.74
C=CCC1(NC(=O)C2=CC=CC(=S)N2[O-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259013	0	40	-2.0	-112.74	364.88	2.42	-110.32
C=CCC1(NC(=O)CC2SC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259029	0	40	-2.0	-88.15	368.56	-3.13	-91.28
C=CCC1(NC(=O)C2=NN(C)C(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259045	0	39	-2.0	-97.94	352.03	-2.05	-99.99
C=CCC1(NC(=O)C2=C[N-]N=CC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259163	0	38	-2.0	-87.19	339.01	-0.13	-87.32
C=CCC1(NC(=O)C2=CC=C3N=NN([O-])C3=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259201	0	42	-2.0	-101.57	374.36	0.34	-101.23
C=CCC1(NC(=O)C2=CC(=O)N[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259294	0	37	-2.0	-92.12	334.79	-2.28	-94.40
C=CCC1(NC(=O)C(=O)[PH](C)(C)[O-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259298	0	42	-2.0	-100.31	368.89	-0.73	-101.04
C=CCC1(NC(=O)C2=CC=CN([O-])C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259341	0	40	-2.0	-109.89	354.99	1.90	-107.99
C=CCC1(NC(=O)C2=CN=C(SC)NC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259360	0	42	-2.0	-96.30	381.14	-0.31	-96.61
C=CCC1(NC(=O)C2=CN=C(SC)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259360	1	42	-2.0	-96.30	381.14	-0.31	-96.61
C=CCC1(NC(=O)C2=NC(=O)C(C)S2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259381	0	39	-2.0	-101.85	361.55	-2.18	-104.03
C=CCC1(NC(=O)C2=NC([O-])=C(C)S2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259381	1	39	-2.0	-101.85	361.55	-2.18	-104.03
C=CCC1(NC(=O)C2=CC(=O)C=C(Cl)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259401	0	39	-2.0	-88.69	364.93	1.02	-87.67
C=CCC1(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259401	1	39	-2.0	-88.69	364.93	1.02	-87.67
C=CCC1(NC(=O)C2=CC(=O)N([O-])C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259419	0	40	-2.0	-106.77	358.18	1.81	-104.96
C=CCC1(NC(=O)C2=CC=CC(=O)N2[O-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259476	0	40	-2.0	-108.68	353.77	1.67	-107.01
C=CCC1(NC(=O)CC2=C([O-])N=C(N)S2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259646	0	41	-2.0	-105.60	376.48	-3.18	-108.78
C=CCC1(NC(=O)CC2=NC([O-])=CS2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259705	0	39	-2.0	-104.65	361.30	-2.36	-107.01
C=CCC1(NC(=O)C2=CN=C(CC)NC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259728	0	44	-2.0	-95.24	379.90	0.18	-95.06
C=CCC1(NC(=O)C2=CN=C(CC)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259728	1	44	-2.0	-95.24	379.90	0.18	-95.06
C=CCC1(NC(=O)C2=C(Cl)C(=O)[N-]S2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259817	0	36	-2.0	-92.12	352.35	-0.97	-93.09
C=CCC1(NC(=O)C2=CN=C(COC)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259920	1	45	-2.0	-95.92	392.82	-1.58	-97.50
C=CCC1(NC(=O)C2=CN=C(CC3CC3)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030259932	1	48	-2.0	-95.40	410.81	1.78	-93.62
C=CCC1(NC(=O)C2=N[N-]C(C)=CC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260020	0	41	-2.0	-102.28	363.12	1.28	-101.00
C=CCC1(NC(=O)C2=NC(=O)N[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260040	0	36	-2.0	-94.00	329.38	-3.58	-97.58
C=CCC1(NC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260058	1	41	-2.0	-91.36	371.97	0.73	-90.63
C=CCC1(NC(=O)C2=CN=C3N=C(C)[N-]N3C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260082	0	44	-2.0	-94.40	387.03	2.94	-91.46
C=CCC1(NC(=O)C2=CN=C(C=N[O-])S2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260185	0	39	-2.0	-101.12	370.16	-0.69	-101.81
C=CCC1(NC(=O)C2=CC(=O)[N-]C(OC)=N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260205	0	42	-2.0	-95.13	375.51	-4.27	-99.40
C=CCC1(NC(=O)C2=CC(=O)N(C)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260414	0	40	-2.0	-94.58	357.52	-0.58	-95.16
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260426	0	40	-2.0	-94.76	372.13	-2.39	-97.15
C=CCC1(NC(=O)C2=NC(=O)[N-]C(=O)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260623	0	38	-2.0	-96.50	347.91	-5.34	-101.84
C=CCC1(NC(=O)C2=NC(=O)NC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260623	1	38	-2.0	-90.10	348.56	-4.58	-94.68
C=CCC1(NC(=O)COC2=NC(=O)[N-]C(=O)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260692	0	42	-2.0	-96.72	382.04	-6.14	-102.86
C=CCC1(NC(=O)COC2=NC(=O)NC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260692	1	42	-2.0	-90.78	381.99	-6.09	-96.87
C=CCC1(NC(=O)CN2[N-]C(=O)C=CC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030260832	0	42	-2.0	-97.90	376.57	-1.69	-99.59
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300030261088	1	39	-2.0	-109.52	346.18	1.47	-108.05
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1	REAL300030261215	1	45	-2.0	-99.45	398.52	0.04	-99.41
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CSC([N-]C(C)=O)=N2)C1	REAL300030261233	1	42	-2.0	-87.96	384.42	-0.43	-88.39
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300030261269	0	38	-2.0	-99.78	345.78	-4.19	-103.97
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(OC)C(=O)[N-]C(=O)N2)C1	REAL300030261331	1	43	-2.0	-95.94	377.95	-3.07	-99.01
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300030261531	0	40	-2.0	-106.99	362.55	-2.58	-109.57
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2[N-]C=C3C2=NC=NC3=O)C1	REAL300030261598	0	44	-2.0	-106.85	396.12	0.29	-106.56
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCN2C(=O)[N-]NC2=O)C1	REAL300030262711	0	46	-2.0	-103.27	404.97	-1.28	-104.55
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300030262958	1	45	-2.0	-112.97	389.12	1.86	-111.11
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2=NNC(=O)[N-]C2=O)C1	REAL300030263990	0	44	-2.0	-99.85	392.96	-4.06	-103.91
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1	REAL300030264000	0	42	-2.0	-100.50	375.35	2.83	-97.67
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300030264016	1	40	-2.0	-111.07	366.81	3.05	-108.02
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300030264053	1	41	-2.0	-89.43	370.27	1.37	-88.06
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C1	REAL300030264088	0	42	-2.0	-116.24	379.14	0.86	-115.38
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1	REAL300030264157	0	42	-2.0	-121.45	376.64	3.71	-117.74
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(CC)[N-]C2=O)C1	REAL300030264194	1	44	-2.0	-107.96	388.22	-0.03	-107.99
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300030264221	1	36	-2.0	-90.39	329.66	-2.69	-93.08
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1	REAL300030264311	0	42	-2.0	-121.17	379.26	2.53	-118.64
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300030264330	0	39	-2.0	-94.97	366.89	-2.20	-97.17
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300030264331	0	41	-2.0	-120.45	378.14	-3.12	-123.57
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300030264342	0	40	-2.0	-91.42	370.06	1.30	-90.12
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300030264366	1	40	-2.0	-99.27	357.27	1.04	-98.23
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=C3SC=CC3=C2)C1	REAL300030264374	1	43	-2.0	-97.46	386.86	2.27	-95.19
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300030264377	0	39	-2.0	-91.74	354.52	0.41	-91.33
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300030264391	1	41	-2.0	-105.66	369.58	1.44	-104.22
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300030264397	0	39	-2.0	-104.22	360.65	0.95	-103.27
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(N)[N-]C(=O)C(C#N)=C2)C1	REAL300030264404	0	42	-2.0	-94.92	385.31	-1.73	-96.65
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300030264423	0	41	-2.0	-113.59	373.07	-3.65	-117.24
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(C)=CC=C2[O-])C1	REAL300030264525	1	42	-2.0	-110.32	367.79	2.06	-108.26
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2=NNC(=O)[N-]2)C1	REAL300030264529	0	42	-2.0	-99.25	373.08	-1.90	-101.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300030264555	0	38	-2.0	-100.49	338.13	0.66	-99.83
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300030264569	0	40	-2.0	-121.67	356.35	2.60	-119.07
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300030264715	1	40	-2.0	-116.42	356.64	1.07	-115.35
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1	REAL300030264807	0	42	-2.0	-106.21	375.42	2.80	-103.41
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300030264880	0	37	-2.0	-93.05	334.51	-2.13	-95.18
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300030264888	0	42	-2.0	-92.07	368.69	-0.68	-92.75
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC(=O)N(C)[N-]2)C1	REAL300030264893	0	43	-2.0	-107.67	380.82	0.19	-107.48
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(=O)C=C([O-])C2=CC=CC=N2)C1	REAL300030264918	0	45	-2.0	-108.25	402.41	2.75	-105.50
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)C1	REAL300030264941	1	48	-2.0	-107.90	419.14	1.58	-106.32
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(N)=C(F)C([O-])=C2F)C1	REAL300030264955	0	42	-2.0	-117.63	377.65	-0.87	-118.50
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(COC)[N-]C2=O)C1	REAL300030264965	1	45	-2.0	-107.67	401.15	-1.78	-109.45
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=CC(F)=C2[O-])C1	REAL300030264996	0	40	-2.0	-109.34	363.26	2.47	-106.87
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300030265030	0	40	-2.0	-112.64	355.41	1.54	-111.10
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C1	REAL300030265067	0	40	-2.0	-106.98	369.82	1.28	-105.70
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300030265069	0	36	-2.0	-92.93	329.61	-3.13	-96.06
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300030265075	1	40	-2.0	-107.67	373.02	1.69	-105.98
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300030265084	0	40	-2.0	-127.60	363.44	1.76	-125.84
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300030265127	1	40	-2.0	-104.76	369.77	1.38	-103.38
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C3N=C(C)[N-]N3C2=O)C1	REAL300030265213	0	44	-2.0	-106.49	395.42	2.69	-103.80
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1	REAL300030265261	0	40	-2.0	-104.62	358.38	-2.49	-107.11
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300030265346	0	40	-2.0	-96.66	365.41	1.58	-95.08
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300030265354	1	40	-2.0	-110.00	356.49	2.61	-107.39
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=CC(C)=C2[O-])C1	REAL300030265455	1	42	-2.0	-110.54	366.58	2.25	-108.29
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1	REAL300030265522	0	40	-2.0	-115.15	372.97	2.95	-112.20
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300030265655	1	39	-2.0	-92.23	344.40	-0.81	-93.04
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300030265669	0	40	-2.0	-136.41	363.65	3.47	-132.94
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1	REAL300030265827	1	48	-2.0	-112.44	404.98	2.41	-110.03
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C1	REAL300030265845	1	42	-2.0	-92.67	378.11	-0.60	-93.27
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300030265850	0	39	-2.0	-88.00	364.48	0.27	-87.73
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300030265927	1	40	-2.0	-97.10	365.73	1.49	-95.61
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1	REAL300030265930	0	43	-2.0	-109.33	384.82	0.68	-108.65
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300030265944	0	39	-2.0	-118.24	363.91	-2.24	-120.48
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300030265969	0	40	-2.0	-99.97	363.52	1.31	-98.66
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300030265972	0	42	-2.0	-105.48	378.83	-1.54	-107.02
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300030265975	0	40	-2.0	-113.00	357.03	2.42	-110.58
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(C)C=CC(F)=C2[O-])C1	REAL300030266030	0	43	-2.0	-102.10	383.23	1.91	-100.19
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300030266130	0	40	-2.0	-93.72	371.12	-2.97	-96.69
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300030266163	0	40	-2.0	-102.02	363.33	1.10	-100.92
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1	REAL300030266167	1	41	-2.0	-96.12	379.74	-0.29	-96.41
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300030266173	0	40	-2.0	-115.59	366.16	3.07	-112.52
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=N[N-]C(C)=CC2=O)C1	REAL300030266211	0	41	-2.0	-98.61	362.93	1.68	-96.93
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C1	REAL300030266217	0	45	-2.0	-115.35	395.01	1.59	-113.76
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300030266253	0	40	-2.0	-132.96	352.54	2.44	-130.52
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300030266301	0	40	-2.0	-104.85	373.15	-0.54	-105.39
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C1	REAL300030266302	0	42	-2.0	-99.50	383.77	-5.99	-105.49
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C1	REAL300030266302	1	42	-2.0	-94.58	383.60	-5.83	-100.41
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1	REAL300030266333	0	42	-2.0	-94.16	380.36	2.71	-91.45
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300030266379	0	39	-2.0	-100.22	351.89	-1.92	-102.14
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C1	REAL300030266421	0	42	-2.0	-91.19	377.18	-1.16	-92.35
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300030266465	0	41	-2.0	-111.70	374.14	-0.52	-112.22
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300030266465	1	41	-2.0	-111.70	374.14	-0.52	-112.22
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300030266478	0	41	-2.0	-106.72	370.92	2.94	-103.78
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300030266625	0	40	-2.0	-97.54	360.08	0.00	-97.54
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C1	REAL300030266667	0	40	-2.0	-107.15	372.64	3.09	-104.06
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300030266703	1	40	-2.0	-110.06	355.65	1.05	-109.01
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1	REAL300030266713	1	45	-2.0	-128.42	391.83	2.88	-125.54
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1	REAL300030266717	0	42	-2.0	-110.10	378.79	3.02	-107.08
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1	REAL300030266720	0	42	-2.0	-101.17	378.26	3.20	-97.97
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300030266734	1	40	-2.0	-112.72	367.36	2.87	-109.85
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1	REAL300030266757	0	42	-2.0	-89.36	377.62	1.65	-87.71
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300030266849	0	38	-2.0	-92.12	347.32	-4.85	-96.97
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300030266849	1	38	-2.0	-88.73	347.91	-4.10	-92.83
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1	REAL300030266892	0	42	-2.0	-94.35	371.64	0.05	-94.30
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300030266938	1	45	-2.0	-115.17	391.38	3.81	-111.36
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1	REAL300030266939	0	36	-2.0	-94.41	350.29	-1.11	-95.52
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300030266965	1	40	-2.0	-108.48	361.59	-1.70	-110.18
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(C)C=C(C#N)C(=O)[N-]2)C1	REAL300030267002	0	43	-2.0	-86.87	383.86	0.89	-85.98
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300030267029	0	40	-2.0	-114.28	363.29	1.07	-113.21
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300030267093	0	40	-2.0	-94.83	371.59	1.64	-93.19
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1	REAL300030267102	1	41	-2.0	-92.37	370.09	0.44	-91.93
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)[N-]C(OC)=N2)C1	REAL300030267108	0	42	-2.0	-100.07	373.94	-3.84	-103.91
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1	REAL300030267111	0	42	-2.0	-107.77	378.10	-0.29	-108.06
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300030267124	0	39	-2.0	-106.68	362.45	2.06	-104.62
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C1	REAL300030267130	1	43	-2.0	-107.73	394.42	2.67	-105.06
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300030267176	0	40	-2.0	-105.93	365.45	1.55	-104.38
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300030267187	0	39	-2.0	-111.69	343.77	0.56	-111.13
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030267197	0	36	-2.0	-96.13	329.53	-1.81	-97.94
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC([O-])=C(C)S2)C1	REAL300030267241	1	39	-2.0	-95.67	361.15	-1.71	-97.38
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1	REAL300030267300	1	46	-2.0	-118.95	402.73	3.50	-115.45
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1	REAL300030267320	1	46	-2.0	-119.15	395.59	4.71	-114.44
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1	REAL300030267328	1	46	-2.0	-123.13	396.71	4.65	-118.48
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300030267384	1	42	-2.0	-96.34	372.19	1.28	-95.06
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300030267423	0	39	-2.0	-105.90	368.36	-0.81	-106.71
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300030267461	1	39	-2.0	-91.70	364.54	1.32	-90.38
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(SC)[N-]C2=O)C1	REAL300030267487	1	42	-2.0	-109.48	389.53	-0.54	-110.02
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300030267496	0	40	-2.0	-92.14	356.42	-3.43	-95.57
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)N(CC)[N-]2)C1	REAL300030267584	0	43	-2.0	-98.07	379.15	0.60	-97.47
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300030267608	0	40	-2.0	-95.98	357.32	-0.43	-96.41
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1	REAL300030267623	1	43	-2.0	-123.92	381.33	-0.44	-124.36
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300030267628	0	40	-2.0	-98.87	373.86	-2.33	-101.20
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(C)NC(=O)[N-]C2=S)C1	REAL300030267630	1	42	-2.0	-122.25	387.25	-1.01	-123.26
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(C)N=C(C3CC3)[N-]C2=O)C1	REAL300030267641	1	48	-2.0	-111.57	418.14	1.27	-110.30
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1	REAL300030267706	1	45	-2.0	-109.83	397.10	1.56	-108.27
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300030267826	1	40	-2.0	-105.15	358.07	-1.54	-106.69
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300030267833	1	40	-2.0	-100.72	355.61	1.09	-99.63
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300030267901	0	40	-2.0	-98.68	361.93	1.09	-97.59
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300030267907	0	39	-2.0	-110.09	359.97	0.98	-109.11
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=C(C)[N-]N(C)C2=O)C1	REAL300030267929	0	46	-2.0	-105.06	400.42	0.86	-104.20
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC(=O)C2=CC=C([O-])C=C2)C1	REAL300030267942	1	48	-2.0	-98.16	419.91	2.69	-95.47
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=C(C)C=C2[O-])C1	REAL300030267983	1	42	-2.0	-113.40	367.98	2.14	-111.26
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1	REAL300030268000	0	41	-2.0	-99.55	383.86	-0.89	-100.44
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300030268025	0	37	-2.0	-106.07	342.13	0.04	-106.03
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CC1=CC(=O)C(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=N[N-]1	REAL300030270308	0	47	-2.0	-95.92	393.48	2.70	-93.22
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CN1[N-]C(C(=O)NC2CCC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC1=O	REAL300030270520	0	46	-2.0	-94.13	387.58	0.64	-93.49
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=NC(=O)[N-]C(=O)N1	REAL300030270626	0	44	-2.0	-89.96	378.61	-3.36	-93.32
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O=C(NC1CCC2(CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300030271084	0	44	-2.0	-97.01	375.85	-2.96	-99.97
O=C(CN1C(=O)[N-]NC1=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030271192	0	46	-2.0	-94.03	392.53	-1.35	-95.38
N#CC1=CC([O-])=CC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)=C1	REAL300030272128	1	47	-2.0	-87.47	400.38	2.49	-84.98
O=C(NC1CCC2(CN(C(=O)C3=COC(=O)[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030272198	1	42	-2.0	-93.43	359.74	-1.47	-94.90
O=C(NC1CCC2(CN(C(=O)C3=CC=C([O-])C=C3F)C2)CC1)C1=CC(=O)[N-]O1	REAL300030272271	1	46	-2.0	-96.55	386.39	2.25	-94.30
O=C(NC1CCC2(CN(C(=O)C3=CC([O-])=CC(=O)O3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030272276	0	45	-2.0	-93.38	384.58	1.64	-91.74
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CC1=CC=C([O-])C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)=N1	REAL300030272338	1	48	-2.0	-105.48	397.84	3.29	-102.19
O=C(CCC1=NC(=O)[N-]N1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030272339	1	48	-2.0	-101.72	402.77	-1.26	-102.98
O=C(NC1CCC2(CN(C(=O)C3=C[N-]N=CC3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300030272350	0	44	-2.0	-95.05	367.85	1.82	-93.23
O=C(NC1CCC2(CN(C(=O)C3=CC=CC(F)=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300030272357	0	46	-2.0	-111.79	385.94	3.79	-108.00
O=C(NC1CCC2(CN(C(=O)C3=CC=CC([O-])=C3F)C2)CC1)C1=CC(=O)[N-]O1	REAL300030272429	1	46	-2.0	-108.70	386.24	2.26	-106.44
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)N[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030272504	0	43	-2.0	-92.61	364.58	-0.90	-93.51
C[PH](C)([O-])C(=O)C(=O)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030272510	0	48	-2.0	-91.09	397.96	0.27	-90.82
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)N([O-])C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030272569	0	46	-2.0	-108.97	385.57	2.69	-106.28
O=C(NC1CCC2(CN(C(=O)C3=NC(=O)N[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030272586	0	42	-2.0	-93.56	359.31	-1.92	-95.48
O=C(NC1CCC2(CN(C(=O)C3=CC=CN([O-])C3=O)C2)CC1)C1=CC(=O)[N-]O1	REAL300030272591	0	46	-2.0	-109.92	393.48	2.97	-106.95
O=C(NC1CCC2(CN(C(=O)C3=CC(F)=CC=C3O)C2)CC1)C1=CC(=O)[N-]O1	REAL300030272711	0	46	-2.0	-97.59	386.70	3.80	-93.79
O=C(NC1CCC2(CN(C(=O)C3=CC(F)=CC=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300030272711	1	46	-2.0	-97.59	386.70	3.80	-93.79
CC1=CC=NC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)=C1O	REAL300030272758	0	48	-2.0	-104.52	396.57	3.39	-101.13
CC1=CC=NC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)=C1[O-]	REAL300030272758	1	48	-2.0	-104.52	396.57	3.39	-101.13
O=C(NC1CCC2(CN(C(=O)C3=CN=CC(O)=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030272826	0	45	-2.0	-93.14	374.60	0.32	-92.82
O=C(NC1CCC2(CN(C(=O)C3=CN=CC([O-])=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030272826	1	45	-2.0	-93.14	374.60	0.32	-92.82
O=C(CC1=NC([O-])=CS1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030272928	0	45	-2.0	-107.64	393.35	-1.01	-108.65
O=C(NC1CCC2(CN(C(=O)C3=C([O-])C=CC=C3F)C2)CC1)C1=CC(=O)[N-]O1	REAL300030272941	0	46	-2.0	-104.81	393.57	2.53	-102.28
O=C(NC1CCC2(CN(C(=O)C3=CC=C(F)C=C3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300030272942	0	46	-2.0	-105.81	386.13	3.78	-102.03
CC1=CC(=O)C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)=N[N-]1	REAL300030273051	0	47	-2.0	-96.56	393.02	2.90	-93.66
O=C(NC1CCC2(CN(C(=O)C3=CC=CC(=O)N3[O-])C2)CC1)C1=CC(=O)[N-]O1	REAL300030273069	0	46	-2.0	-124.81	382.78	3.71	-121.10
N#CC1=CC=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C(=O)[N-]1	REAL300030273089	0	46	-2.0	-91.99	403.19	0.68	-91.31
CN1N=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)[N-]C1=O	REAL300030273119	0	45	-2.0	-99.18	382.03	-0.70	-99.88
N#CC1=CC=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C([O-])=C1	REAL300030273154	0	47	-2.0	-103.41	400.52	4.12	-99.29
N#CC1=CC=C([O-])C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)=C1	REAL300030273160	0	47	-2.0	-94.81	401.12	4.13	-90.68
O=C(NC1CCC2(CN(C(=O)C3=CC=C(F)C([O-])=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030273258	1	46	-2.0	-104.71	385.82	2.18	-102.53
O=C(NC1CCC2(CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030273316	0	44	-2.0	-89.79	377.98	-2.87	-92.66
O=C(NC1CCC2(CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030273316	1	44	-2.0	-89.79	377.98	-2.87	-92.66
NC1=NC=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C(=O)N1	REAL300030273356	0	46	-2.0	-97.30	391.62	-0.48	-97.78
NC1=NC=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C(=O)[N-]1	REAL300030273356	1	46	-2.0	-97.30	391.62	-0.48	-97.78
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030273453	0	42	-2.0	-96.95	359.58	-0.58	-97.53
CC1SC(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)=NC1=O	REAL300030273470	0	45	-2.0	-100.23	391.44	-0.51	-100.74
CC1=C([O-])N=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)S1	REAL300030273470	1	45	-2.0	-100.23	391.44	-0.51	-100.74
O=C(NC1CCC2(CN(C(=O)C(=O)C3=CC=C(O)C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030273549	0	48	-2.0	-93.05	402.01	2.33	-90.72
O=C(NC1CCC2(CN(C(=O)C(=O)C3=CC=C([O-])C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030273549	1	48	-2.0	-93.05	402.01	2.33	-90.72
O=C(NC1CCC2(CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030273587	0	46	-2.0	-86.91	386.16	-2.22	-89.13
CCN1[N-]C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)=CC1=O	REAL300030273632	0	49	-2.0	-95.78	409.11	1.73	-94.05
CN1[N-]C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)=CC1=O	REAL300030273648	0	46	-2.0	-94.95	387.30	0.80	-94.15
O=C(CC1=CC(=O)NN1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273738	0	46	-2.0	-96.11	387.52	-0.30	-96.41
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)CCC(NC(=O)C1=CC(=O)[N-]O1)CC2	REAL300030273738	1	46	-2.0	-96.11	387.52	-0.30	-96.41
O=C(NC1CCC2(CN(C(=O)C3=CC=C(O)C(F)=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030273742	0	46	-2.0	-97.92	385.79	2.22	-95.70
O=C(NC1CCC2(CN(C(=O)C3=CC=C([O-])C(F)=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030273742	1	46	-2.0	-97.92	385.79	2.22	-95.70
CC1=CN=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C(O)=C1	REAL300030273811	0	48	-2.0	-102.29	398.07	3.31	-98.98
CC1=CN=C(C(=O)N2CC3(C2)CCC(NC(=O)C2=CC(=O)[N-]O2)CC3)C([O-])=C1	REAL300030273811	1	48	-2.0	-102.29	398.07	3.31	-98.98
O=C(NC1CCC2(CN(C(=O)C3=CC([O-])=CS3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030273824	0	43	-2.0	-102.46	371.80	1.21	-101.25
O=C(NC1CCC2(CN(C(=O)C3=CN([O-])C(=O)C=C3)C2)CC1)C1=CC(=O)[N-]O1	REAL300030273837	0	46	-2.0	-108.14	385.18	2.69	-105.45
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C2CC2)[N-]C1=O	REAL300030274361	1	45	-2.0	-89.61	377.97	0.57	-89.04
O=C(CCCN1C(=O)[N-]NC1=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030274998	0	46	-2.0	-97.53	389.65	-1.76	-99.29
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275205	0	44	-2.0	-95.22	377.35	-4.47	-99.69
CC(=O)[N-]C1=NC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CS1	REAL300030275206	1	42	-2.0	-84.25	372.39	-1.06	-85.31
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275361	1	45	-2.0	-100.80	384.09	-0.41	-101.21
COC1=C(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)NC(=O)[N-]C1=O	REAL300030275469	1	43	-2.0	-91.33	367.57	-3.40	-94.73
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NNC(=O)[N-]C1=O	REAL300030275590	0	38	-2.0	-93.76	333.90	-4.74	-98.50
O=C(CN1C(=O)[N-]NC1=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275698	0	40	-2.0	-98.25	348.22	-2.89	-101.14
O=C(CN1[N-]C=C2C1=NC=NC2=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030275835	0	44	-2.0	-99.86	381.15	-0.14	-100.00
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)C=C1	REAL300030276539	0	40	-2.0	-106.45	344.51	1.46	-104.99
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)NC([O-])=C1	REAL300030276701	0	40	-2.0	-87.23	346.04	-3.31	-90.54
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=COC(=O)[N-]1	REAL300030276714	1	36	-2.0	-91.84	316.58	-3.62	-95.46
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C2CCC2)[N-]C1=O	REAL300030276763	1	48	-2.0	-89.57	393.72	1.11	-88.46
CCN1[N-]C(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030276934	0	43	-2.0	-91.93	366.81	0.02	-91.91
O=C(CC1=CC(=O)N[N-]1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276942	1	40	-2.0	-101.55	343.22	-1.86	-103.41
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=S)N1[O-]	REAL300030276963	0	40	-2.0	-129.35	352.47	3.42	-125.93
O=C(CC1SC(=O)[N-]C1=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030276979	0	40	-2.0	-89.47	356.34	-3.33	-92.80
CN1N=C(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300030276995	0	39	-2.0	-94.71	339.67	-2.44	-97.15
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]N=CC1=O	REAL300030277113	0	38	-2.0	-86.77	325.51	-0.40	-87.17
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C2N=NN([O-])C2=C1	REAL300030277151	0	42	-2.0	-104.76	361.07	-0.05	-104.81
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N[N-]1	REAL300030277244	0	37	-2.0	-90.14	321.45	-2.55	-92.69
C[PH](C)([O-])C(=O)C(=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277248	0	42	-2.0	-93.40	354.96	-1.35	-94.75
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CN([O-])C1=O	REAL300030277291	0	40	-2.0	-95.93	342.57	1.74	-94.19
CSC1=NC=C(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300030277310	0	42	-2.0	-85.78	368.71	-0.42	-86.20
CSC1=NC=C(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030277310	1	42	-2.0	-85.78	368.71	-0.42	-86.20
CC1SC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300030277331	0	39	-2.0	-92.65	348.98	-2.52	-95.17
CC1=C([O-])N=C(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030277331	1	39	-2.0	-92.65	348.98	-2.52	-95.17
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)C=C(Cl)N1	REAL300030277351	0	39	-2.0	-86.99	351.64	0.74	-86.25
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)C=C(Cl)[N-]1	REAL300030277351	1	39	-2.0	-86.99	351.64	0.74	-86.25
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N([O-])C=C1	REAL300030277369	0	40	-2.0	-106.37	344.93	1.42	-104.95
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=O)N1[O-]	REAL300030277426	0	40	-2.0	-126.14	341.36	2.38	-123.76
NC1=NC([O-])=C(CC(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030277596	0	41	-2.0	-106.21	363.25	-3.58	-109.79
O=C(CC1=NC([O-])=CS1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030277655	0	39	-2.0	-109.19	348.85	-2.74	-111.93
CCC1=NC=C(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300030277678	0	44	-2.0	-85.17	367.47	0.04	-85.13
CCC1=NC=C(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030277678	1	44	-2.0	-85.17	367.47	0.04	-85.13
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C(Cl)C(=O)[N-]S1	REAL300030277767	0	36	-2.0	-88.78	339.95	-1.33	-90.11
COCC1=NC=C(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030277870	1	45	-2.0	-86.37	380.40	-1.72	-88.09
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(CC2CC2)[N-]C1=O	REAL300030277882	1	48	-2.0	-84.94	398.47	1.67	-83.27
CC1=CC(=O)C(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300030277970	0	41	-2.0	-92.96	351.09	1.12	-91.84
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)N[N-]1	REAL300030277990	0	36	-2.0	-89.35	316.19	-3.80	-93.15
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030278008	1	41	-2.0	-89.16	358.65	0.48	-88.68
CC1=NC2=NC=C(C(=O)N[C@]34CC[C@H]3CN(C(=O)C3=CC(=O)[N-]O3)C4)C(=O)N2[N-]1	REAL300030278032	0	44	-2.0	-83.77	374.71	2.82	-80.95
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C=N[O-])S1	REAL300030278135	0	39	-2.0	-99.80	357.59	-1.04	-100.84
COC1=NC(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC(=O)[N-]1	REAL300030278155	0	42	-2.0	-92.43	363.07	-4.63	-97.06
CN1[N-]C(C(=O)N[C@]23CC[C@H]2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030278364	0	40	-2.0	-91.05	345.08	-0.91	-91.96
O=C(CSC1=NNC(=O)[N-]1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278376	0	40	-2.0	-94.87	358.44	-2.71	-97.58
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)[N-]C(=O)N1	REAL300030278573	0	38	-2.0	-93.56	334.53	-5.67	-99.23
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)NC(=O)[N-]1	REAL300030278573	1	38	-2.0	-88.95	335.57	-4.90	-93.85
O=C(COC1=NC(=O)[N-]C(=O)N1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278642	0	42	-2.0	-94.17	369.24	-6.52	-100.69
O=C(COC1=NC(=O)NC(=O)[N-]1)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278642	1	42	-2.0	-89.65	368.76	-6.45	-96.10
O=C(CN1[N-]C(=O)C=CC1=O)N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030278782	0	42	-2.0	-99.41	363.71	-2.04	-101.45
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=NC=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030279038	1	39	-2.0	-108.53	333.96	1.41	-107.12
O=C(CCN1C=C[N-]C(=O)C1=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030279165	1	45	-2.0	-99.17	386.41	-0.27	-99.44
CC(=O)[N-]C1=NC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030279183	1	42	-2.0	-87.08	371.28	-0.39	-87.47
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030279219	0	38	-2.0	-100.22	332.79	-4.40	-104.62
COC1=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030279281	1	43	-2.0	-91.34	365.38	-2.98	-94.32
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030279481	0	40	-2.0	-101.81	349.96	-2.84	-104.65
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030279548	0	44	-2.0	-102.66	384.40	-0.04	-102.70
O=C(CCCN1C(=O)[N-]NC1=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030280661	0	46	-2.0	-100.91	392.54	-1.56	-102.47
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030280908	1	45	-2.0	-109.52	387.32	0.25	-109.27
O=C(CCC1=NNC(=O)[N-]C1=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030281940	0	44	-2.0	-95.21	381.44	-4.25	-99.46
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030281950	0	42	-2.0	-100.13	361.18	2.33	-97.80
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(Cl)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030281966	1	40	-2.0	-111.36	355.46	2.02	-109.34
N#CC1=CC([O-])=CC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030282003	1	41	-2.0	-88.99	356.36	0.90	-88.09
NC1=CC=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1Cl	REAL300030282038	0	42	-2.0	-111.33	367.26	0.29	-111.04
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030282107	0	42	-2.0	-115.63	364.19	3.26	-112.37
CCC1=NC=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030282144	1	44	-2.0	-108.12	376.24	-0.34	-108.46
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=COC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030282171	1	36	-2.0	-89.51	316.36	-2.36	-91.87
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=CC([O-])=C1[N+](=O)[O-])C2)C1=CC(=O)[N-]O1	REAL300030282261	0	42	-2.0	-108.69	367.46	2.04	-106.65
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282280	0	39	-2.0	-90.69	355.30	-2.65	-93.34
NC1=NC([O-])=C(CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030282281	0	41	-2.0	-113.44	366.43	-3.40	-116.84
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=C(F)C=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300030282292	0	40	-2.0	-91.63	357.91	1.00	-90.63
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300030282316	1	40	-2.0	-98.29	345.74	0.75	-97.54
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC([O-])=C3SC=CC3=C1)C2)C1=CC(=O)[N-]O1	REAL300030282324	1	43	-2.0	-97.80	372.13	1.86	-95.94
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC([O-])=CC(=O)O1)C2)C1=CC(=O)[N-]O1	REAL300030282327	0	39	-2.0	-90.98	341.48	0.12	-90.86
N#CC1=CC=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300030282341	1	41	-2.0	-90.78	357.73	1.12	-89.66
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(Cl)=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030282347	0	39	-2.0	-99.05	349.96	0.59	-98.46
N#CC1=CC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=C(N)[N-]C1=O	REAL300030282354	0	42	-2.0	-87.86	373.85	-1.87	-89.73
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282373	0	41	-2.0	-104.23	361.95	-3.85	-108.08
CC1=CC=C([O-])C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030282475	1	42	-2.0	-109.48	355.58	2.01	-107.47
O=C(CCC1=NNC(=O)[N-]1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282479	0	42	-2.0	-94.48	360.78	-2.27	-96.75
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=C[N-]N=CC1=O)C2)C1=CC(=O)[N-]O1	REAL300030282505	0	38	-2.0	-91.91	335.72	-0.67	-92.58
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030282519	0	40	-2.0	-114.89	344.41	1.91	-112.98
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030282665	1	40	-2.0	-108.47	343.94	0.69	-107.78
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030282757	0	42	-2.0	-91.68	363.56	2.48	-89.20
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030282830	0	37	-2.0	-94.21	321.04	-2.36	-96.57
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282838	0	42	-2.0	-95.40	360.50	-1.20	-96.60
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030282868	0	45	-2.0	-105.47	389.32	2.47	-103.00
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CN=C(CC3CC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030282891	1	48	-2.0	-108.11	407.16	1.26	-106.85
NC1=CC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=C(F)C([O-])=C1F	REAL300030282905	0	42	-2.0	-114.34	365.88	-1.29	-115.63
COCC1=NC=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030282915	1	45	-2.0	-107.87	389.17	-2.10	-109.97
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(F)=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030282946	0	40	-2.0	-103.03	350.80	2.11	-100.92
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300030282980	0	40	-2.0	-104.13	352.11	1.56	-102.57
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(F)=C(F)C([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030283017	0	40	-2.0	-103.81	358.08	0.86	-102.95
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=NC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030283019	0	36	-2.0	-87.29	316.44	-3.07	-90.36
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=C([O-])C=CC=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300030283025	1	40	-2.0	-101.83	361.67	1.39	-100.44
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=CN([O-])C1=O)C2)C1=CC(=O)[N-]O1	REAL300030283034	0	40	-2.0	-126.30	351.46	1.43	-124.87
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=C(F)C=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030283077	1	40	-2.0	-100.50	357.77	1.05	-99.45
CC1=NC2=NC=C(C(=O)N3C[C@@H]4CC[C@]4(NC(=O)C4=CC(=O)[N-]O4)C3)C(=O)N2[N-]1	REAL300030283163	0	44	-2.0	-102.99	382.28	2.42	-100.57
NC1=CC(=O)[N-]C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030283211	0	40	-2.0	-100.42	345.69	-2.61	-103.03
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C2)C1=CC(=O)[N-]O1	REAL300030283296	0	40	-2.0	-91.17	353.55	1.27	-89.90
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(F)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030283304	1	40	-2.0	-110.39	345.14	1.57	-108.82
CC1=CC=NC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300030283405	1	42	-2.0	-110.61	353.41	2.19	-108.42
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=C(Cl)C(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030283472	0	40	-2.0	-109.14	361.00	2.38	-106.76
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CN=CC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030283605	1	39	-2.0	-87.70	331.37	-1.07	-88.77
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=CC(=S)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300030283619	0	40	-2.0	-120.99	362.57	1.86	-119.13
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030283777	1	48	-2.0	-101.85	403.33	0.86	-100.99
NC1=CC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=CC([O-])=C1Cl	REAL300030283795	1	42	-2.0	-93.39	364.21	-0.97	-94.36
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=C([O-])C(Cl)=N1)C2)C1=CC(=O)[N-]O1	REAL300030283800	0	39	-2.0	-86.71	351.38	0.32	-86.39
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=C([O-])C=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300030283877	1	40	-2.0	-91.69	353.91	1.17	-90.52
N#CC1=CC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=C([O-])C=C1N	REAL300030283880	0	43	-2.0	-102.59	372.43	0.10	-102.49
O=C(CC1=NC([O-])=CS1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283894	0	39	-2.0	-113.49	351.69	-2.58	-116.07
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=C([O-])C=CC=C1F)C2)C1=CC(=O)[N-]O1	REAL300030283919	0	40	-2.0	-103.77	352.18	1.01	-102.76
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283922	0	42	-2.0	-101.04	366.96	-1.96	-103.00
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=C(F)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030283925	0	40	-2.0	-113.79	345.51	1.60	-112.19
CC1=CC=C(F)C([O-])=C1C(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030283980	0	43	-2.0	-114.24	370.85	1.63	-112.61
O=C(CC1SC(=O)[N-]C1=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284080	0	40	-2.0	-90.73	358.97	-3.35	-94.08
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=C([O-])C(F)=C1F)C2)C1=CC(=O)[N-]O1	REAL300030284113	0	40	-2.0	-95.72	350.62	0.75	-94.97
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030284117	1	41	-2.0	-88.92	368.08	-0.46	-89.38
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030284123	0	40	-2.0	-109.31	354.21	2.37	-106.94
CC1=CC(=O)C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030284161	0	41	-2.0	-100.79	349.98	1.47	-99.32
O=C(C=C([O-])C1=CC=C(O)C=C1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284167	0	45	-2.0	-115.23	381.89	1.27	-113.96
CN1N=CC2=C1[N-]C=C(C(=O)N1C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C1)C2=O	REAL300030284171	0	45	-2.0	-96.13	390.50	1.16	-94.97
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=CC(=O)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300030284203	0	40	-2.0	-118.08	351.46	1.22	-116.86
N#CC1=CC=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030284251	0	40	-2.0	-96.75	361.83	-0.85	-97.60
O=C(COC1=NC(=O)[N-]C(=O)N1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284252	0	42	-2.0	-94.14	372.07	-6.32	-100.46
O=C(COC1=NC(=O)NC(=O)[N-]1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030284252	1	42	-2.0	-90.34	372.05	-6.10	-96.44
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C2)C1=CC(=O)[N-]O1	REAL300030284283	0	42	-2.0	-88.89	365.19	2.36	-86.53
CN1N=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030284329	0	39	-2.0	-98.90	338.65	-2.04	-100.94
[N-]=[N+]=NC1=CC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=CC=C1[O-]	REAL300030284371	0	42	-2.0	-92.35	365.33	-1.47	-93.82
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=C(F)C=CC(O)=C1O)C2)C1=CC(=O)[N-]O1	REAL300030284415	0	41	-2.0	-109.56	362.15	-0.85	-110.41
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=C(F)C=CC(O)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030284415	1	41	-2.0	-109.56	362.15	-0.85	-110.41
N#CC1=CC=C([O-])C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030284428	0	41	-2.0	-106.86	359.58	1.93	-104.93
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CN([O-])C(=O)NC1=O)C2)C1=CC(=O)[N-]O1	REAL300030284575	0	40	-2.0	-92.19	356.87	-1.02	-93.21
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(Cl)=C(F)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030284617	0	40	-2.0	-107.82	360.33	2.57	-105.25
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=C(F)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030284653	1	40	-2.0	-94.54	343.79	0.73	-93.81
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=C([O-])C3=NC=CC=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030284663	1	45	-2.0	-129.21	378.71	2.48	-126.73
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030284667	0	42	-2.0	-110.29	367.25	2.21	-108.08
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030284670	0	42	-2.0	-101.39	366.90	2.18	-99.21
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=C(Cl)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030284684	1	40	-2.0	-107.24	355.31	2.43	-104.81
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030284707	0	42	-2.0	-88.64	363.70	1.20	-87.44
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2)C1=CC(=O)[N-]O1	REAL300030284799	0	38	-2.0	-86.61	334.63	-4.75	-91.36
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030284799	1	38	-2.0	-84.44	335.57	-3.89	-88.33
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2)C1=CC(=O)[N-]O1	REAL300030284842	0	42	-2.0	-110.62	361.51	-0.27	-110.89
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2)C1=CC(=O)[N-]O1	REAL300030284888	1	45	-2.0	-115.22	378.76	3.75	-111.47
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=C(Cl)C(=O)[N-]S1)C2)C1=CC(=O)[N-]O1	REAL300030284889	0	36	-2.0	-92.84	336.81	-1.51	-94.35
NC1=NC=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030284915	1	40	-2.0	-108.57	349.61	-2.01	-110.58
CC1=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300030284952	0	43	-2.0	-87.06	370.61	1.03	-86.03
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=C(F)C([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030284979	0	40	-2.0	-106.89	350.58	0.72	-106.17
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2)C1=CC(=O)[N-]O1	REAL300030285043	0	40	-2.0	-94.18	357.68	1.16	-93.02
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030285052	1	41	-2.0	-89.13	366.50	0.54	-88.59
COC1=NC(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030285058	0	42	-2.0	-98.47	360.26	-3.80	-102.27
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=C3N[N-]N=C3C1=O)C2)C1=CC(=O)[N-]O1	REAL300030285061	0	42	-2.0	-107.57	366.09	-0.60	-108.17
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=NC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030285074	0	39	-2.0	-106.53	349.28	2.02	-104.51
O=C(CC1=CC=C([O-])C(Cl)=C1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285080	1	43	-2.0	-106.29	381.95	2.35	-103.94
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=C(Cl)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030285126	0	40	-2.0	-91.37	353.58	1.23	-90.14
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030285137	0	39	-2.0	-105.47	333.12	0.15	-105.32
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)[N-]O1	REAL300030285147	0	36	-2.0	-91.20	317.10	-2.13	-93.33
CC1=C([O-])N=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030285191	1	39	-2.0	-91.57	348.90	-1.56	-93.13
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=C([O-])C=CC3=CC=CC=C31)C2)C1=CC(=O)[N-]O1	REAL300030285250	1	46	-2.0	-111.19	390.15	3.19	-108.00
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=C([O-])C3=CC=CC=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030285270	1	46	-2.0	-121.34	383.56	4.07	-117.27
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC3=CC=CC=C3C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030285278	1	46	-2.0	-114.48	384.33	4.28	-110.20
O=C(N[C@]12CC[C@H]1CN(C(=O)C(=O)C1=CC=C([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300030285334	1	42	-2.0	-91.05	359.75	1.02	-90.03
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CN=C(C=N[O-])S1)C2)C1=CC(=O)[N-]O1	REAL300030285373	0	39	-2.0	-105.76	354.37	-1.29	-107.05
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030285411	1	39	-2.0	-86.80	351.87	1.26	-85.54
CSC1=NC=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030285437	1	42	-2.0	-109.37	377.55	-0.85	-110.22
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)NC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030285446	0	40	-2.0	-92.51	352.06	-3.40	-95.91
CCN1[N-]C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030285534	0	43	-2.0	-95.93	365.76	0.42	-95.51
CN1[N-]C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030285558	0	40	-2.0	-94.90	343.95	-0.52	-95.42
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=CC3=C1C(=O)[N-]C3=O)C2)C1=CC(=O)[N-]O1	REAL300030285573	1	43	-2.0	-110.92	370.06	-0.90	-111.82
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285578	0	40	-2.0	-93.66	362.52	-2.46	-96.12
CC1=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300030285580	1	42	-2.0	-107.19	374.10	-1.26	-108.45
CC1=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300030285591	1	48	-2.0	-103.62	405.52	0.85	-102.77
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=C([O-])C=NC3=CC=CC=C31)C2)C1=CC(=O)[N-]O1	REAL300030285656	1	45	-2.0	-103.81	384.89	1.30	-102.51
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030285776	1	40	-2.0	-102.79	345.84	-1.86	-104.65
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300030285783	1	40	-2.0	-94.08	343.74	0.77	-93.31
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(F)=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300030285851	0	40	-2.0	-97.23	347.39	0.66	-96.57
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC=NC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030285857	0	39	-2.0	-103.47	349.27	0.61	-102.86
CC1=C(CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300030285879	0	46	-2.0	-105.34	390.24	0.77	-104.57
O=C(CCC(=O)N1C[C@@H]2CC[C@]2(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C([O-])C=C1	REAL300030285892	1	48	-2.0	-95.38	408.65	2.54	-92.84
CC1=CN=C(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030285933	1	42	-2.0	-110.16	355.31	2.16	-108.00
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=C(O)C=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030285950	0	41	-2.0	-100.25	372.72	-1.13	-101.38
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC([O-])=CS1)C2)C1=CC(=O)[N-]O1	REAL300030285975	0	37	-2.0	-102.91	328.41	-0.39	-103.30
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CN([O-])C(=O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300030286001	0	40	-2.0	-99.65	352.33	1.45	-98.20
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(F)=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030286007	0	40	-2.0	-99.43	360.60	2.59	-96.84
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)NC1=O	REAL300030286058	0	40	-2.0	-92.71	346.49	-0.83	-93.54
O=C(N[C@]12CC[C@H]1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030286089	1	41	-2.0	-83.94	357.56	-0.29	-84.23
C=CCC1(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030286980	1	48	-2.0	-94.86	402.57	1.52	-93.34
C=CCC1(NC(=O)C2=NNC(=O)[N-]C2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030287784	0	41	-2.0	-92.48	357.96	-3.79	-96.27
C=CCC1(NC(=O)CN2C(=O)[N-]NC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030287866	0	43	-2.0	-92.11	370.47	-1.93	-94.04
C=CCC1(NC(=O)C2=CN([O-])C(=O)C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288458	0	43	-2.0	-101.09	367.44	2.56	-98.53
C=CCC1(NC(=O)C2=CC(=O)NC([O-])=C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288568	0	43	-2.0	-89.01	369.51	-2.42	-91.43
C=CCC1(NC(=O)C2=COC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288579	1	39	-2.0	-87.88	339.93	-2.52	-90.40
C=CCC1(NC(=O)C2=CC(=O)N(CC)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288746	0	46	-2.0	-93.17	390.94	1.05	-92.12
C=CCC1(NC(=O)CC2=CC(=O)N[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288753	1	43	-2.0	-101.80	365.78	-0.97	-102.77
C=CCC1(NC(=O)C2=CC=CC(=S)N2[O-])CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288769	0	43	-2.0	-116.93	375.96	4.46	-112.47
C=CCC1(NC(=O)CC2SC(=O)[N-]C2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288779	0	43	-2.0	-84.41	378.55	-2.41	-86.82
C=CCC1(NC(=O)C2=NN(C)C(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288793	0	42	-2.0	-103.01	363.55	-1.38	-104.39
C=CCC1(NC(=O)C2=C[N-]N=CC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288880	0	41	-2.0	-85.14	350.62	0.56	-84.58
C=CCC1(NC(=O)C2=CC=C3N=NN([O-])C3=C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288913	0	45	-2.0	-96.96	384.04	1.04	-95.92
C=CCC1(NC(=O)CC2=C(C)[N-]N(C)C2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288922	0	49	-2.0	-106.93	408.58	1.45	-105.48
C=CCC1(NC(=O)C2=CC(=O)N[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288985	0	40	-2.0	-91.07	346.23	-1.44	-92.51
C=CCC1(NC(=O)C(=O)[PH](C)(C)[O-])CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288989	0	45	-2.0	-84.39	378.86	-0.06	-84.45
C=CCC1(NC(=O)CC2=CC(=O)N(C)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030288992	0	46	-2.0	-96.44	389.98	0.77	-95.67
C=CCC1(NC(=O)C2=CC=CN([O-])C2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289022	0	43	-2.0	-108.72	366.61	2.64	-106.08
C=CCC1(NC(=O)C2=NC([O-])=C(C)S2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289052	1	42	-2.0	-94.78	371.53	-1.43	-96.21
C=CCC1(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289064	1	42	-2.0	-82.98	374.92	1.75	-81.23
C=CCC1(NC(=O)C2=CC(=O)N([O-])C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289079	0	43	-2.0	-101.80	367.81	2.53	-99.27
C=CCC1(NC(=O)C2=CC=CC(=O)N2[O-])CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289117	0	43	-2.0	-113.93	364.85	3.42	-110.51
C=CCC1(NC(=O)C[N-]C(=O)C(F)(F)F)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289234	0	42	-2.0	-88.91	376.68	-1.63	-90.54
C=CCC1(NC(=O)CC2=C([O-])N=C(N)S2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289235	0	44	-2.0	-107.56	386.45	-2.56	-110.12
C=CCC1(NC(=O)CC2=NC([O-])=CS2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289279	0	42	-2.0	-102.48	371.30	-1.61	-104.09
C=CCC1(NC(=O)C2=CN=C(CC)[N-]C2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289296	1	47	-2.0	-93.38	391.49	0.93	-92.45
C=CCC1(NC(=O)CN2N=CC(=O)[N-]C2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289307	0	44	-2.0	-100.93	381.13	-3.12	-104.05
C=CCC1(NC(=O)C2=C(Cl)C(=O)[N-]S2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289364	0	39	-2.0	-86.95	362.33	-0.23	-87.18
C=CCC1(NC(=O)C2=N[N-]C(C)=CC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289512	0	44	-2.0	-93.24	375.16	2.10	-91.14
C=CCC1(NC(=O)C2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289526	0	39	-2.0	-89.43	339.25	-3.00	-92.43
C=CCC1(NC(=O)C2=CN=C(C=N[O-])S2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289634	0	42	-2.0	-102.31	380.49	-0.00	-102.31
C=CCC1(NC(=O)C2=CC(=O)[N-]C(OC)=N2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289649	0	45	-2.0	-100.39	387.03	-3.57	-103.96
C=CCC1(NC(=O)C2=CC(=O)N(C)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289806	0	43	-2.0	-92.33	369.13	0.11	-92.22
C=CCC1(NC(=O)CSC2=NNC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289813	0	43	-2.0	-90.19	381.80	-1.69	-91.88
C=CCC1(NC(=O)C2=NC(=O)[N-]C(=O)N2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289961	0	41	-2.0	-88.14	360.30	-3.88	-92.02
C=CCC1(NC(=O)C2=NC(=O)NC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030289961	1	41	-2.0	-88.14	360.30	-3.88	-92.02
C=CCC1(NC(=O)CN2[N-]C(=O)C=CC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030290105	0	45	-2.0	-101.96	386.90	-1.02	-102.98
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=CC=C2O)C1	REAL300030290358	0	42	-2.0	-98.28	356.40	2.51	-95.77
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300030290358	1	42	-2.0	-98.28	356.40	2.51	-95.77
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300030290493	0	41	-2.0	-94.98	357.16	-3.20	-98.18
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300030290686	0	43	-2.0	-101.83	373.74	-1.84	-103.67
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300030291650	1	48	-2.0	-96.26	411.26	1.34	-94.92
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300030292338	1	43	-2.0	-96.34	373.37	3.63	-92.71
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300030292365	1	44	-2.0	-83.33	379.65	1.85	-81.48
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN=C(CC)[N-]C2=O)C1	REAL300030292464	1	47	-2.0	-85.14	382.77	-0.18	-85.32
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300030292484	1	39	-2.0	-88.52	339.65	-1.31	-89.83
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300030292561	0	42	-2.0	-85.42	377.85	-1.54	-86.96
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300030292562	0	44	-2.0	-119.60	389.58	-2.37	-121.97
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300030292572	0	43	-2.0	-89.73	382.64	2.05	-87.68
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300030292588	1	43	-2.0	-95.69	369.95	1.77	-93.92
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300030292594	0	42	-2.0	-87.81	364.73	1.22	-86.59
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300030292603	1	44	-2.0	-94.43	378.93	1.89	-92.54
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300030292607	0	42	-2.0	-92.13	369.20	1.80	-90.33
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C(N)[N-]C(=O)C(C#N)=C2)C1	REAL300030292613	0	45	-2.0	-99.38	397.77	-0.99	-100.37
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300030292630	0	44	-2.0	-109.70	384.26	-2.98	-112.68
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC(C)=CC=C2[O-])C1	REAL300030292701	1	45	-2.0	-102.76	379.45	3.01	-99.75
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CCC2=NNC(=O)[N-]2)C1	REAL300030292703	0	45	-2.0	-96.04	384.24	-1.26	-97.30
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300030292722	0	41	-2.0	-78.54	341.60	-0.44	-78.98
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300030292733	0	43	-2.0	-105.03	362.86	3.16	-101.87
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300030292837	1	43	-2.0	-101.67	363.19	1.54	-100.13
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300030292962	0	40	-2.0	-86.54	344.51	-1.20	-87.74
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300030292968	0	45	-2.0	-85.06	378.95	0.06	-85.00
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300030293076	0	43	-2.0	-102.30	365.00	2.08	-100.22
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300030293105	0	39	-2.0	-87.78	339.28	-1.94	-89.72
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C(O)C=CC=C2Cl)C1	REAL300030293109	0	43	-2.0	-92.00	384.32	2.45	-89.55
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300030293109	1	43	-2.0	-92.00	384.32	2.45	-89.55
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300030293114	0	43	-2.0	-98.05	358.36	1.35	-96.70
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300030293144	0	43	-2.0	-94.58	381.23	2.06	-92.52
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300030293144	1	43	-2.0	-94.58	381.23	2.06	-92.52
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300030293306	0	43	-2.0	-95.70	363.05	3.17	-92.53
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300030293306	1	43	-2.0	-95.70	363.05	3.17	-92.53
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=CC(C)=C2O)C1	REAL300030293373	0	45	-2.0	-101.86	378.03	3.08	-98.78
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=CC(C)=C2[O-])C1	REAL300030293373	1	45	-2.0	-101.86	378.03	3.08	-98.78
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN=CC(O)=C2)C1	REAL300030293504	0	42	-2.0	-91.61	353.93	-0.34	-91.95
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300030293504	1	42	-2.0	-91.61	353.93	-0.34	-91.95
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300030293514	0	43	-2.0	-107.46	385.66	2.93	-104.53
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300030293642	0	42	-2.0	-88.06	375.05	1.28	-86.78
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(O)C=C2Cl)C1	REAL300030293688	0	43	-2.0	-94.49	378.62	2.21	-92.28
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300030293688	1	43	-2.0	-94.49	378.62	2.21	-92.28
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1	REAL300030293690	0	46	-2.0	-95.01	390.32	1.36	-93.65
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300030293700	0	42	-2.0	-111.21	374.74	-1.54	-112.75
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300030293717	0	45	-2.0	-103.34	390.03	-0.88	-104.22
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300030293834	0	43	-2.0	-94.63	382.27	-2.30	-96.93
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300030293860	0	43	-2.0	-91.62	369.39	1.64	-89.98
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300030293867	0	43	-2.0	-99.80	372.67	3.65	-96.15
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=N[N-]C(C)=CC2=O)C1	REAL300030293898	0	44	-2.0	-94.25	374.51	2.49	-91.76
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C1	REAL300030293902	0	48	-2.0	-101.45	405.20	2.23	-99.22
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300030293926	0	43	-2.0	-105.19	374.56	2.29	-102.90
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300030293959	0	43	-2.0	-79.89	368.31	-0.59	-80.48
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300030294014	0	42	-2.0	-92.44	361.96	-1.02	-93.46
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C1	REAL300030294040	0	45	-2.0	-93.68	388.96	-0.59	-94.27
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300030294076	0	44	-2.0	-99.23	385.60	0.16	-99.07
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300030294076	1	44	-2.0	-99.23	385.60	0.16	-99.07
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300030294086	0	44	-2.0	-101.38	381.79	3.26	-98.12
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300030294188	0	43	-2.0	-96.65	380.74	-0.10	-96.75
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300030294247	0	43	-2.0	-98.26	365.02	1.52	-96.74
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300030294247	1	43	-2.0	-98.26	365.02	1.52	-96.74
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(Cl)C=C2O)C1	REAL300030294267	0	43	-2.0	-104.89	380.02	3.17	-101.72
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300030294267	1	43	-2.0	-104.89	380.02	3.17	-101.72
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300030294345	0	41	-2.0	-95.12	358.69	-3.64	-98.76
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300030294345	1	41	-2.0	-88.32	358.63	-2.88	-91.20
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1	REAL300030294366	0	45	-2.0	-99.63	380.94	0.49	-99.14
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1	REAL300030294397	0	39	-2.0	-94.47	360.55	-0.59	-95.06
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300030294415	1	43	-2.0	-85.73	356.05	-1.90	-87.63
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C(C)C=C(C#N)C(=O)[N-]2)C1	REAL300030294441	0	46	-2.0	-86.85	394.28	2.05	-84.80
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300030294458	0	43	-2.0	-101.06	369.36	1.61	-99.45
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)[N-]C(OC)=N2)C1	REAL300030294509	0	45	-2.0	-89.78	382.51	-2.67	-92.45
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1	REAL300030294510	0	45	-2.0	-94.81	390.01	0.38	-94.43
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300030294520	0	42	-2.0	-94.45	372.60	3.03	-91.42
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300030294560	0	43	-2.0	-94.32	374.83	2.03	-92.29
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300030294570	0	42	-2.0	-98.66	352.37	1.40	-97.26
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030294576	0	39	-2.0	-90.52	339.51	-1.05	-91.57
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC([O-])=C(C)S2)C1	REAL300030294602	1	42	-2.0	-95.37	371.46	-0.53	-95.90
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300030294701	1	45	-2.0	-87.85	381.93	1.85	-86.00
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300030294727	0	42	-2.0	-102.17	378.73	-0.01	-102.18
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300030294752	1	42	-2.0	-88.06	375.52	2.38	-85.68
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300030294777	0	43	-2.0	-96.67	365.83	-2.77	-99.44
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)N(CC)[N-]2)C1	REAL300030294841	0	46	-2.0	-89.75	389.05	1.45	-88.30
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300030294863	0	43	-2.0	-88.94	367.24	0.51	-88.43
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300030294875	0	43	-2.0	-89.67	384.70	-1.53	-91.20
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300030295023	1	43	-2.0	-103.56	368.89	-0.82	-104.38
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300030295028	1	43	-2.0	-91.44	364.97	1.55	-89.89
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300030295082	0	43	-2.0	-102.32	372.77	1.73	-100.59
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300030295088	0	42	-2.0	-96.89	368.50	1.82	-95.07
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2=C(C)[N-]N(C)C2=O)C1	REAL300030295103	0	49	-2.0	-110.43	411.61	1.63	-108.80
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=C(C)C=C2[O-])C1	REAL300030295141	1	45	-2.0	-99.77	377.85	3.14	-96.63
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC([O-])=CS2)C1	REAL300030295166	0	40	-2.0	-104.18	351.88	0.61	-103.57
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300030295182	0	43	-2.0	-104.07	376.37	2.51	-101.56
C=CCC1(NC(=O)C2=CN([O-])C(=O)NC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030295215	0	43	-2.0	-90.63	371.86	0.11	-90.52
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300030295693	1	48	-2.0	-90.76	400.29	1.84	-88.92
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=NNC(=O)[N-]C1=O	REAL300030296660	0	41	-2.0	-99.95	355.90	-3.44	-103.39
O=C(CN1C(=O)[N-]NC1=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030296762	0	43	-2.0	-104.36	369.61	-1.90	-106.26
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=CN([O-])C(=O)C=C1	REAL300030297469	0	43	-2.0	-112.35	366.59	2.59	-109.76
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=CC(=O)NC([O-])=C1	REAL300030297600	0	43	-2.0	-91.42	367.43	-2.18	-93.60
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=COC(=O)[N-]1	REAL300030297611	1	39	-2.0	-89.38	339.11	-2.47	-91.85
O=C([N-]C1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C(F)(F)C(F)(F)F	REAL300030297714	0	38	-2.0	-87.89	341.89	0.80	-87.09
CCN1[N-]C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=CC1=O	REAL300030297804	0	46	-2.0	-96.54	388.88	1.28	-95.26
O=C(CC1=CC(=O)N[N-]1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297812	1	43	-2.0	-108.04	364.61	-0.87	-108.91
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=CC=CC(=S)N1[O-]	REAL300030297832	0	43	-2.0	-137.44	375.53	4.74	-132.70
O=C(CC1SC(=O)[N-]C1=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030297843	0	43	-2.0	-94.06	378.12	-2.22	-96.28
CN1N=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)[N-]C1=O	REAL300030297860	0	42	-2.0	-100.18	361.28	-1.30	-101.48
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=C[N-]N=CC1=O	REAL300030297957	0	41	-2.0	-83.79	348.18	0.66	-83.13
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=CC=C2N=NN([O-])C2=C1	REAL300030297993	0	45	-2.0	-111.73	383.13	1.10	-110.63
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=CC(=O)N[N-]1	REAL300030298078	0	40	-2.0	-92.70	343.96	-1.50	-94.20
C[PH](C)([O-])C(=O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298083	0	45	-2.0	-92.91	377.23	-0.04	-92.95
O=C(CCC1=NC(=O)NN1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298115	0	45	-2.0	-101.09	380.26	-1.69	-102.78
O=C(CCC1=NC(=O)[N-]N1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298115	1	45	-2.0	-101.09	380.26	-1.69	-102.78
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=CC=CN([O-])C1=O	REAL300030298120	0	43	-2.0	-98.44	364.63	2.86	-95.58
CC1SC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=NC1=O	REAL300030298155	0	42	-2.0	-94.45	370.88	-1.24	-95.69
CC1=C([O-])N=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)S1	REAL300030298155	1	42	-2.0	-94.45	370.88	-1.24	-95.69
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=CC(=O)C=C(Cl)N1	REAL300030298169	0	42	-2.0	-89.63	374.49	1.93	-87.70
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300030298169	1	42	-2.0	-89.63	374.49	1.93	-87.70
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=CC(=O)N([O-])C=C1	REAL300030298189	0	43	-2.0	-111.82	366.94	2.58	-109.24
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=CC=CC(=O)N1[O-]	REAL300030298232	0	43	-2.0	-133.68	364.02	3.58	-130.10
NC1=NC([O-])=C(CC(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)S1	REAL300030298371	0	44	-2.0	-113.69	385.67	-2.32	-116.01
O=C(CC1=NC([O-])=CS1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030298423	0	42	-2.0	-117.12	370.86	-1.46	-118.58
CCC1=NC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C(=O)N1	REAL300030298444	0	47	-2.0	-89.14	389.46	1.19	-87.95
CCC1=NC=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C(=O)[N-]1	REAL300030298444	1	47	-2.0	-89.14	389.46	1.19	-87.95
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=C(Cl)C(=O)[N-]S1	REAL300030298520	0	39	-2.0	-93.62	361.52	-0.19	-93.81
CC1=CC(=O)C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=N[N-]1	REAL300030298695	0	44	-2.0	-99.19	373.05	2.42	-96.77
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=NC(=O)N[N-]1	REAL300030298711	0	39	-2.0	-90.47	338.93	-2.66	-93.13
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=CN=C(C=N[O-])S1	REAL300030298845	0	42	-2.0	-103.59	379.71	0.23	-103.36
COC1=NC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=CC(=O)[N-]1	REAL300030298861	0	45	-2.0	-97.66	384.68	-3.48	-101.14
CN1[N-]C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=CC1=O	REAL300030299040	0	43	-2.0	-95.76	366.75	0.22	-95.54
O=C(CSC1=NNC(=O)[N-]1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299048	0	43	-2.0	-98.02	381.31	-1.53	-99.55
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300030299223	0	41	-2.0	-90.81	357.46	-4.42	-95.23
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300030299223	1	41	-2.0	-88.36	357.71	-3.79	-92.15
O=C(CN1[N-]C(=O)C=CC1=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299392	0	45	-2.0	-105.68	386.14	-0.78	-106.46
O=C(NC1CN(C(=O)C2=NC=CC=C2[O-])CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030299646	1	42	-2.0	-112.95	356.26	2.67	-110.28
O=C(NC1CN(C(=O)C2=NNC(=O)[N-]C2=O)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030299781	0	41	-2.0	-100.56	355.83	-3.15	-103.71
O=C(CN1C(=O)[N-]NC1=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030299974	0	43	-2.0	-98.02	372.80	-1.68	-99.70
O=C(NC1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030300938	1	48	-2.0	-94.91	403.20	1.36	-93.55
O=C(NC1CN(C(=O)C2=CC(Cl)=CC=C2[O-])CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030301626	1	43	-2.0	-106.14	381.89	2.86	-103.28
N#CC1=CC([O-])=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=C1	REAL300030301653	1	44	-2.0	-87.33	382.84	2.28	-85.05
CCC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C(=O)[N-]1	REAL300030301752	1	47	-2.0	-93.57	392.11	0.77	-92.80
O=C(NC1CN(C(=O)C2=COC(=O)[N-]2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030301772	1	39	-2.0	-88.51	338.89	-0.86	-89.37
O=C(C[N-]C(=O)C(F)(F)F)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301849	0	42	-2.0	-97.50	377.33	-1.37	-98.87
NC1=NC([O-])=C(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)S1	REAL300030301850	0	44	-2.0	-109.60	388.52	-2.16	-111.76
O=C(NC1CN(C(=O)C2=C(F)C=C([O-])C=C2F)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030301860	0	43	-2.0	-99.39	381.00	2.26	-97.13
O=C(NC1CN(C(=O)C2=CC=C([O-])C=C2F)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030301876	1	43	-2.0	-97.01	370.28	2.06	-94.95
O=C(NC1CN(C(=O)C2=CC([O-])=CC(=O)O2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030301882	0	42	-2.0	-90.61	364.60	1.21	-89.40
N#CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C=C1[O-]	REAL300030301891	1	44	-2.0	-89.62	384.53	2.40	-87.22
O=C(NC1CN(C(=O)C2=CC(Cl)=NC=C2[O-])CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030301895	0	42	-2.0	-104.48	375.41	1.38	-103.10
N#CC1=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=C(N)[N-]C1=O	REAL300030301901	0	45	-2.0	-103.26	395.54	-0.96	-104.22
O=C(CN1N=CC(=O)[N-]C1=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301918	0	44	-2.0	-103.20	383.21	-2.77	-105.97
CC1=CC=C([O-])C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=N1	REAL300030301989	1	45	-2.0	-113.96	377.91	3.26	-110.70
O=C(CCC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030301991	0	45	-2.0	-97.31	383.21	-1.01	-98.32
O=C(NC1CN(C(=O)C2=C[N-]N=CC2=O)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302010	0	41	-2.0	-87.14	350.56	0.49	-86.65
O=C(NC1CN(C(=O)C2=CC=CC(F)=C2[O-])CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302021	0	43	-2.0	-118.50	371.43	2.44	-116.06
O=C(NC1CN(C(=O)C2=CC=CC([O-])=C2F)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302125	1	43	-2.0	-111.95	370.16	2.04	-109.91
O=C(NC1CN(C(=O)C2=CC(=O)N[N-]2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302250	0	40	-2.0	-93.03	344.15	-0.94	-93.97
C[PH](C)([O-])C(=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302256	0	45	-2.0	-95.94	383.29	0.01	-95.93
O=C(NC1CN(C(=O)C2=CC(=O)N([O-])C=C2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302364	0	43	-2.0	-112.32	374.46	2.68	-109.64
O=C(NC1CN(C(=O)C2=NNC(=O)[N-]2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302393	0	39	-2.0	-97.19	338.39	-2.48	-99.67
O=C(NC1CN(C(=O)C2=C(O)C=CC=C2Cl)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302397	0	43	-2.0	-100.46	383.88	2.61	-97.85
O=C(NC1CN(C(=O)C2=C([O-])C=CC=C2Cl)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302397	1	43	-2.0	-100.46	383.88	2.61	-97.85
O=C(NC1CN(C(=O)C2=CC=CN([O-])C2=O)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302402	0	43	-2.0	-103.14	367.27	2.48	-100.66
O=C(NC1CN(C(=O)C2=C(F)C=CC(O)=C2F)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302432	0	43	-2.0	-109.29	380.72	2.20	-107.09
O=C(NC1CN(C(=O)C2=C(F)C=CC([O-])=C2F)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302432	1	43	-2.0	-109.29	380.72	2.20	-107.09
O=C(NC1CN(C(=O)C2=CC(F)=CC=C2O)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302594	0	43	-2.0	-105.78	371.57	2.40	-103.38
O=C(NC1CN(C(=O)C2=CC(F)=CC=C2[O-])CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302594	1	43	-2.0	-105.78	371.57	2.40	-103.38
CC1=CC=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=C1O	REAL300030302661	0	45	-2.0	-112.85	376.61	3.37	-109.48
CC1=CC=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=C1[O-]	REAL300030302661	1	45	-2.0	-112.85	376.61	3.37	-109.48
O=C(NC1CN(C(=O)C2=CN=CC(O)=C2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302792	0	42	-2.0	-102.37	359.02	0.18	-102.19
O=C(NC1CN(C(=O)C2=CN=CC([O-])=C2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302792	1	42	-2.0	-102.37	359.02	0.18	-102.19
O=C(NC1CN(C(=O)C2=CC=CC(=S)N2[O-])CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302802	0	43	-2.0	-111.89	384.84	3.10	-108.79
O=C(NC1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302930	0	42	-2.0	-86.70	374.87	1.50	-85.20
O=C(NC1CN(C(=O)C2=CC=C([O-])C=C2Cl)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030302976	1	43	-2.0	-94.68	380.49	2.52	-92.16
N#CC1=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=C([O-])C=C1N	REAL300030302978	0	46	-2.0	-107.06	397.38	1.17	-105.89
O=C(CC1=NC([O-])=CS1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030302988	0	42	-2.0	-109.08	373.70	-1.29	-110.37
O=C(NC1CN(C(=O)C2=C([O-])C=CC=C2F)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303003	0	43	-2.0	-108.43	374.39	2.23	-106.20
O=C(CN1[N-]C(=O)C=CC1=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303005	0	45	-2.0	-99.26	388.96	-0.66	-99.92
O=C(NC1CN(C(=O)C2=CC=C(F)C=C2[O-])CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303007	0	43	-2.0	-111.68	371.61	2.45	-109.23
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303047	0	46	-2.0	-116.92	393.78	2.80	-114.12
O=C(CC1SC(=O)[N-]C1=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303122	0	43	-2.0	-92.12	381.39	-2.06	-94.18
O=C(NC1CN(C(=O)C2=CC=C([O-])C(F)=C2F)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303148	0	43	-2.0	-99.20	376.01	2.10	-97.10
O=C(NC1CN(C(=O)C2=CC=CC(Cl)=C2[O-])CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303155	0	43	-2.0	-112.71	381.24	2.92	-109.79
CC1=CC(=O)C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=N[N-]1	REAL300030303186	0	44	-2.0	-100.59	373.03	2.74	-97.85
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030303190	0	48	-2.0	-117.54	404.65	2.39	-115.15
O=C(NC1CN(C(=O)C2=CC=CC(=O)N2[O-])CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303214	0	43	-2.0	-111.18	373.73	2.47	-108.71
N#CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C(=O)[N-]1	REAL300030303247	0	43	-2.0	-102.48	383.47	0.37	-102.11
CN1N=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)[N-]C1=O	REAL300030303302	0	42	-2.0	-100.70	361.23	-0.81	-101.51
[N-]=[N+]=NC1=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=CC=C1[O-]	REAL300030303328	0	45	-2.0	-93.96	391.49	-0.20	-94.16
O=C(NC1CN(C(=O)C2=C(F)C=CC(O)=C2O)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303364	0	44	-2.0	-107.75	385.17	0.32	-107.43
O=C(NC1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303364	1	44	-2.0	-107.75	385.17	0.32	-107.43
N#CC1=CC=C([O-])C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=C1	REAL300030303374	0	44	-2.0	-102.09	385.98	2.80	-99.29
O=C(NC1CN(C(=O)C2=CN([O-])C(=O)NC2=O)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303476	0	43	-2.0	-96.57	378.80	0.04	-96.53
O=C(NC1CN(C(=O)C2=CC=C(F)C(O)=C2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303535	0	43	-2.0	-107.34	370.55	2.03	-105.31
O=C(NC1CN(C(=O)C2=CC=C(F)C([O-])=C2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303535	1	43	-2.0	-107.34	370.55	2.03	-105.31
O=C(NC1CN(C(=O)C2=CC=C(Cl)C=C2O)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303555	0	43	-2.0	-111.58	381.93	2.90	-108.68
O=C(NC1CN(C(=O)C2=CC=C(Cl)C=C2[O-])CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303555	1	43	-2.0	-111.58	381.93	2.90	-108.68
O=C(NC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303633	0	41	-2.0	-89.17	357.39	-3.37	-92.54
O=C(NC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303633	1	41	-2.0	-87.66	358.01	-2.61	-90.27
O=C(NC1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303654	0	45	-2.0	-109.16	386.57	1.03	-108.13
O=C(NC1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303685	0	39	-2.0	-94.18	362.49	-0.27	-94.45
NC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C(=O)[N-]1	REAL300030303703	1	43	-2.0	-94.01	365.48	-0.87	-94.88
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)[N-]C(=O)C(C#N)=C1	REAL300030303729	0	46	-2.0	-85.99	396.54	2.03	-83.96
O=C(NC1CN(C(=O)C2=CC=C(F)C([O-])=C2F)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303746	0	43	-2.0	-111.08	375.96	2.09	-108.99
COC1=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=CC(=O)[N-]1	REAL300030303797	0	45	-2.0	-95.78	390.25	-3.60	-99.38
O=C(NC1CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303798	0	45	-2.0	-105.02	388.71	0.65	-104.37
O=C(NC1CN(C(=O)C2=NC=CC(Cl)=C2[O-])CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303808	0	42	-2.0	-108.76	372.49	3.20	-105.56
O=C(NC1CN(C(=O)C2=CC=C(Cl)C([O-])=C2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303848	0	43	-2.0	-103.33	380.33	2.51	-100.82
O=C(NC1CN(C(=O)C2=CC=NC=C2[O-])CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303858	0	42	-2.0	-112.18	359.07	0.43	-111.75
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303864	0	39	-2.0	-95.45	338.70	-1.02	-96.47
CC1=C([O-])N=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)S1	REAL300030303890	1	42	-2.0	-93.83	371.12	-0.17	-94.00
O=C(NC1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030303989	1	45	-2.0	-94.28	382.11	2.07	-92.21
O=C(NC1CN(C(=O)C2=CN=C(C=N[O-])S2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030304015	0	42	-2.0	-103.29	379.18	-0.02	-103.31
O=C(NC1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030304040	1	42	-2.0	-89.57	374.29	2.55	-87.02
O=C(NC1CN(C(=O)C2=CC(=O)NC([O-])=C2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030304065	0	43	-2.0	-90.62	374.64	-2.23	-92.85
CCN1[N-]C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=CC1=O	REAL300030304129	0	46	-2.0	-97.25	388.68	1.70	-95.55
CN1[N-]C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)=CC1=O	REAL300030304151	0	43	-2.0	-95.90	366.50	0.74	-95.16
O=C(CSC1=NNC(=O)[N-]1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030304163	0	43	-2.0	-98.01	384.09	-1.34	-99.35
O=C(CC1=CC(=O)N[N-]1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1	REAL300030304311	1	43	-2.0	-98.22	367.86	-0.58	-98.80
O=C(NC1CN(C(=O)C2=CC=C([O-])C(F)=C2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030304316	1	43	-2.0	-97.71	370.51	2.05	-95.66
O=C(NC1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030304370	0	43	-2.0	-95.17	375.91	2.11	-93.06
O=C(NC1CN(C(=O)C2=CC=NC(Cl)=C2[O-])CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030304376	0	42	-2.0	-109.82	374.73	1.41	-108.41
CC1=C(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C(=O)N(C)[N-]1	REAL300030304391	0	49	-2.0	-105.78	410.68	1.81	-103.97
CC1=CN=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CC3)C2)C([O-])=C1	REAL300030304429	1	45	-2.0	-114.50	377.68	3.32	-111.18
O=C(NC1CN(C(=O)C2=CC([O-])=CS2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030304454	0	40	-2.0	-104.51	353.18	0.83	-103.68
O=C(NC1CN(C(=O)C2=CN([O-])C(=O)C=C2)CC2(CC2)C1)C1=CC(=O)[N-]O1	REAL300030304470	0	43	-2.0	-120.37	374.20	2.67	-117.70
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CC2)C1)C1=CN([O-])C(=O)NC1=O	REAL300030304505	0	43	-2.0	-91.82	369.60	0.26	-91.56
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]C1=O	REAL300030305776	0	41	-2.0	-104.44	346.06	-6.81	-111.25
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030305862	0	43	-2.0	-104.79	360.47	-5.53	-110.32
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)C=C1	REAL300030306476	0	43	-2.0	-112.55	356.18	-0.87	-113.42
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)NC([O-])=C1	REAL300030306592	0	43	-2.0	-91.71	356.69	-5.78	-97.49
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300030306603	1	39	-2.0	-89.12	328.73	-5.94	-95.06
O=C([N-][C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)(F)F	REAL300030306694	0	38	-2.0	-94.10	332.62	-2.32	-96.42
CCN1[N-]C(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030306775	0	46	-2.0	-97.20	378.10	-2.30	-99.50
O=C(CC1=CC(=O)N[N-]1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306783	1	43	-2.0	-108.55	354.23	-4.33	-112.88
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=S)N1[O-]	REAL300030306801	0	43	-2.0	-139.03	364.74	1.15	-137.88
O=C(CC1SC(=O)[N-]C1=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030306810	0	43	-2.0	-98.53	368.19	-5.61	-104.14
CN1N=C(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030306826	0	42	-2.0	-100.71	350.77	-4.74	-105.45
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300030306916	0	41	-2.0	-83.76	337.75	-2.78	-86.54
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300030307022	0	40	-2.0	-97.37	334.41	-4.73	-102.10
C[PH](C)([O-])C(=O)C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307027	0	45	-2.0	-95.49	372.00	-3.63	-99.12
O=C(CCC1=NC(=O)NN1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307055	0	45	-2.0	-103.13	370.40	-5.06	-108.19
O=C(CCC1=NC(=O)[N-]N1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307055	1	45	-2.0	-103.13	370.40	-5.06	-108.19
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300030307059	0	43	-2.0	-97.62	353.87	-0.70	-98.32
CC1SC(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300030307087	0	42	-2.0	-98.39	361.19	-4.62	-103.01
CC1=C([O-])N=C(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030307087	1	42	-2.0	-98.39	361.19	-4.62	-103.01
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)N1	REAL300030307101	0	42	-2.0	-94.37	364.65	-1.43	-95.80
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300030307101	1	42	-2.0	-94.37	364.65	-1.43	-95.80
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300030307118	0	43	-2.0	-111.95	357.81	-1.05	-113.00
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300030307153	0	43	-2.0	-134.96	353.63	0.12	-134.84
NC1=NC([O-])=C(CC(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030307280	0	44	-2.0	-118.81	374.87	-5.92	-124.73
O=C(CC1=NC([O-])=CS1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307328	0	42	-2.0	-120.72	361.28	-5.22	-125.94
CCC1=NC=C(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030307346	0	47	-2.0	-88.92	378.78	-2.42	-91.34
CCC1=NC=C(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030307346	1	47	-2.0	-88.92	378.78	-2.42	-91.34
CC1=CC(=O)C(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030307566	0	44	-2.0	-99.98	362.29	-1.16	-101.14
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]1	REAL300030307581	0	39	-2.0	-97.33	328.06	-6.41	-103.74
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C=N[O-])S1	REAL300030307696	0	42	-2.0	-103.47	368.91	-3.35	-106.82
CN1[N-]C(C(=O)N[C@H]2CC[C@@H](O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030307866	0	43	-2.0	-96.13	356.30	-3.24	-99.37
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030307873	0	43	-2.0	-97.94	370.55	-5.12	-103.06
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300030308033	0	41	-2.0	-90.64	346.68	-8.01	-98.65
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300030308033	1	41	-2.0	-92.58	348.20	-7.02	-99.60
O=C(CN1[N-]C(=O)C=CC1=O)N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030308178	0	45	-2.0	-109.43	376.19	-4.14	-113.57
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030308431	1	42	-2.0	-113.29	342.98	-0.39	-113.68
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300030308557	0	41	-2.0	-101.03	343.25	-6.30	-107.33
O=C(CN1C(=O)[N-]NC1=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030308722	0	43	-2.0	-109.77	363.11	-4.87	-114.64
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030310116	1	43	-2.0	-114.16	371.03	-0.35	-114.51
N#CC1=CC([O-])=CC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030310141	1	44	-2.0	-89.13	369.48	-1.23	-90.36
CCC1=NC=C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030310226	1	47	-2.0	-109.03	388.86	-2.36	-111.39
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030310245	1	39	-2.0	-91.01	329.84	-4.11	-95.12
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310312	0	42	-2.0	-95.47	369.52	-5.11	-100.58
NC1=NC([O-])=C(CC(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030310313	0	44	-2.0	-121.40	380.73	-5.89	-127.29
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300030310323	0	43	-2.0	-91.56	372.03	-1.53	-93.09
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300030310338	1	43	-2.0	-95.24	355.27	-1.54	-96.78
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300030310344	0	42	-2.0	-91.18	349.57	-1.99	-93.17
N#CC1=CC=C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300030310351	1	44	-2.0	-99.42	369.94	-1.16	-100.58
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030310354	0	42	-2.0	-98.80	361.54	-2.92	-101.72
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310372	0	44	-2.0	-115.00	373.50	-6.00	-121.00
CC1=CC=C([O-])C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030310434	1	45	-2.0	-113.89	361.43	0.36	-113.53
O=C(CCC1=NNC(=O)[N-]1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310436	0	45	-2.0	-98.14	375.39	-4.74	-102.88
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300030310452	0	41	-2.0	-88.86	333.64	-1.58	-90.44
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030310461	0	43	-2.0	-112.22	355.72	-1.36	-113.58
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300030310550	1	43	-2.0	-106.26	355.98	-1.60	-107.86
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030310654	0	40	-2.0	-93.42	332.86	-4.25	-97.67
C[PH](C)([O-])C(=O)C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030310660	0	45	-2.0	-92.22	367.60	-3.68	-95.90
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300030310754	0	43	-2.0	-102.10	366.14	-1.05	-103.15
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=NC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030310779	0	39	-2.0	-89.86	327.97	-4.52	-94.38
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=C(O)C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030310782	0	43	-2.0	-106.80	374.56	-1.07	-107.87
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030310782	1	43	-2.0	-106.80	374.56	-1.07	-107.87
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300030310786	0	43	-2.0	-100.86	359.24	-1.36	-102.22
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=C(F)C=CC(O)=C2F)C1)C1=CC(=O)[N-]O1	REAL300030310815	0	43	-2.0	-101.29	371.90	-1.55	-102.84
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300030310815	1	43	-2.0	-101.29	371.90	-1.55	-102.84
NC1=CC(=O)[N-]C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030310900	0	43	-2.0	-103.34	351.90	-4.04	-107.38
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1)C1=CC(=O)[N-]O1	REAL300030310951	0	43	-2.0	-91.85	364.55	-1.01	-92.86
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030310956	1	43	-2.0	-113.17	360.71	-0.76	-113.93
CC1=CC=NC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300030311020	1	45	-2.0	-113.12	363.30	0.29	-112.83
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030311128	1	42	-2.0	-97.03	344.70	-3.50	-100.53
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300030311138	0	43	-2.0	-99.21	363.82	1.00	-98.21
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=CC(=O)[N-]O1	REAL300030311248	0	42	-2.0	-87.12	358.47	-1.40	-88.52
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030311288	1	43	-2.0	-93.70	363.92	-1.12	-94.82
O=C(CC1=NC([O-])=CS1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311299	0	42	-2.0	-121.26	365.91	-5.02	-126.28
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=CC(=O)[N-]O1	REAL300030311314	0	43	-2.0	-104.25	365.49	-1.51	-105.76
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311316	0	45	-2.0	-110.16	379.17	-3.92	-114.08
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030311317	0	43	-2.0	-107.65	354.94	-1.06	-108.71
CC1=CC=C(F)C([O-])=C1C(=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311350	0	46	-2.0	-113.35	379.61	-0.58	-113.93
O=C(CC1SC(=O)[N-]C1=O)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030311416	0	43	-2.0	-98.66	371.52	-5.26	-103.92
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=CC(=O)[N-]O1	REAL300030311441	0	43	-2.0	-103.08	367.07	-1.12	-104.20
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030311447	0	43	-2.0	-107.25	365.54	-0.89	-108.14
CC1=CC(=O)C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030311476	0	44	-2.0	-100.40	361.05	-0.47	-100.87
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300030311501	0	43	-2.0	-97.03	352.73	-0.05	-97.08
N#CC1=CC=C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030311530	0	43	-2.0	-88.89	361.88	-2.24	-91.13
CN1N=C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030311578	0	42	-2.0	-101.35	350.74	-4.14	-105.49
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C1=CC(=O)[N-]O1	REAL300030311631	0	44	-2.0	-105.42	376.24	-3.45	-108.87
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030311631	1	44	-2.0	-105.42	376.24	-3.45	-108.87
N#CC1=CC=C([O-])C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030311640	0	44	-2.0	-109.63	375.15	-0.41	-110.04
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=CC(=O)[N-]O1	REAL300030311728	0	43	-2.0	-93.59	364.34	-3.85	-97.44
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC=C(F)C(O)=C2)C1)C1=CC(=O)[N-]O1	REAL300030311780	0	43	-2.0	-95.96	355.56	-1.58	-97.54
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030311780	1	43	-2.0	-95.96	355.56	-1.58	-97.54
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC=C(Cl)C=C2O)C1)C1=CC(=O)[N-]O1	REAL300030311798	0	43	-2.0	-107.77	365.24	-0.60	-108.37
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030311798	1	43	-2.0	-107.77	365.24	-0.60	-108.37
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300030311867	0	41	-2.0	-87.68	345.02	-5.49	-93.17
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030311867	1	41	-2.0	-87.68	345.02	-5.49	-93.17
NC1=NC=C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030311924	0	43	-2.0	-109.28	362.27	-4.00	-113.28
NC1=NC=C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030311924	1	43	-2.0	-109.28	362.27	-4.00	-113.28
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030312011	0	42	-2.0	-114.01	362.96	-0.02	-114.03
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300030312064	0	39	-2.0	-95.61	328.31	-4.46	-100.07
CC1SC(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300030312087	0	42	-2.0	-92.24	361.20	-3.43	-95.67
CC1=C([O-])N=C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030312087	1	42	-2.0	-92.24	361.20	-3.43	-95.67
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C(=O)C2=CC=C(O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300030312180	0	45	-2.0	-95.71	371.33	-1.36	-97.07
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300030312180	1	45	-2.0	-95.71	371.33	-1.36	-97.07
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=CC(=O)[N-]O1	REAL300030312200	0	42	-2.0	-102.39	364.80	-3.40	-105.79
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)C=C(Cl)N2)C1)C1=CC(=O)[N-]O1	REAL300030312222	0	42	-2.0	-89.87	357.28	-0.25	-90.12
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030312222	1	42	-2.0	-89.87	357.28	-0.25	-90.12
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030312242	0	43	-2.0	-93.90	364.93	-5.44	-99.34
CCN1[N-]C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030312303	0	46	-2.0	-97.37	377.33	-1.61	-98.98
CN1[N-]C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030312322	0	43	-2.0	-96.47	355.69	-2.55	-99.02
O=C(CSC1=NNC(=O)[N-]1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312332	0	43	-2.0	-100.65	374.47	-4.56	-105.21
O=C(CC1=CC(=O)NN1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312462	0	43	-2.0	-112.71	358.15	-3.79	-116.50
O=C(CC1=CC(=O)N[N-]1)N1C[C@H](O)CC[C@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030312462	1	43	-2.0	-112.71	358.15	-3.79	-116.50
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC=C(O)C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300030312467	0	43	-2.0	-94.81	355.51	-1.54	-96.35
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300030312467	1	43	-2.0	-94.81	355.51	-1.54	-96.35
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300030312514	0	43	-2.0	-98.76	366.98	-1.11	-99.87
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030312519	0	42	-2.0	-113.70	364.87	-1.85	-115.55
CC1=CN=C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(O)=C1	REAL300030312570	0	45	-2.0	-114.74	364.43	0.24	-114.50
CC1=CN=C(C(=O)N2C[C@H](O)CC[C@H](NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030312570	1	45	-2.0	-114.74	364.43	0.24	-114.50
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300030312592	0	40	-2.0	-101.31	338.94	-2.54	-103.85
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300030312608	0	43	-2.0	-104.91	356.31	-1.13	-106.04
O=C(N[C@H]1CC[C@@H](O)CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)NC1=O	REAL300030312636	0	43	-2.0	-96.13	360.38	-2.87	-99.00
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NNC(=O)[N-]C1=O	REAL300030313367	0	39	-2.0	-115.20	357.26	-3.33	-118.53
O=C(CN1C(=O)[N-]NC1=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313410	0	41	-2.0	-92.55	370.85	-1.97	-94.52
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)C=C1	REAL300030313710	0	41	-2.0	-104.07	367.90	2.56	-101.51
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)NC([O-])=C1	REAL300030313774	0	41	-2.0	-87.40	368.29	-2.41	-89.81
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=COC(=O)[N-]1	REAL300030313785	1	37	-2.0	-109.09	340.87	-2.22	-111.31
CCN1[N-]C(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030313882	0	44	-2.0	-115.65	390.24	1.40	-114.25
O=C(CC1=CC(=O)N[N-]1)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030313888	1	41	-2.0	-96.60	365.93	-0.90	-97.50
CN1N=C(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300030313906	0	40	-2.0	-118.63	363.02	-1.04	-119.67
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]N=CC1=O	REAL300030313952	0	39	-2.0	-85.79	349.38	0.57	-85.22
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N[N-]1	REAL300030314008	0	38	-2.0	-86.79	345.65	-1.62	-88.41
C[PH](C)([O-])C(=O)C(=O)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314012	0	43	-2.0	-106.56	383.99	0.17	-106.39
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CN([O-])C1=O	REAL300030314033	0	41	-2.0	-111.48	365.40	2.65	-108.83
CC1SC(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300030314052	0	40	-2.0	-114.69	372.53	-1.14	-115.83
CC1=C([O-])N=C(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030314052	1	40	-2.0	-114.69	372.53	-1.14	-115.83
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N([O-])C=C1	REAL300030314064	0	41	-2.0	-104.85	368.27	2.54	-102.31
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=O)N1[O-]	REAL300030314084	0	41	-2.0	-112.09	365.30	3.49	-108.60
O=C(CC1=NC([O-])=CS1)NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030314175	0	40	-2.0	-109.03	371.78	-1.61	-110.64
CC1=CC(=O)C(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300030314303	0	42	-2.0	-113.82	374.45	2.54	-111.28
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)N[N-]1	REAL300030314311	0	37	-2.0	-110.16	340.29	-2.52	-112.68
CN1[N-]C(C(=O)NC2CCSC23CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030314457	0	41	-2.0	-91.85	367.89	0.14	-91.71
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)[N-]C(=O)N1	REAL300030314528	0	39	-2.0	-112.24	358.82	-4.28	-116.52
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)NC(=O)[N-]1	REAL300030314528	1	39	-2.0	-84.70	359.43	-3.91	-88.61
O=C(NC1CCSC12CN(C(=O)C1=NC=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030314864	1	40	-2.0	-105.12	357.04	2.10	-103.02
O=C(NC1CCSC12CN(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030314957	0	39	-2.0	-94.17	356.14	-3.50	-97.67
O=C(CN1C(=O)[N-]NC1=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030315047	0	41	-2.0	-97.31	372.80	-1.88	-99.19
O=C(NC1CCSC12CN(C(=O)C1=COC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030315891	1	37	-2.0	-94.35	340.04	-2.01	-96.36
O=C(NC1CCSC12CN(C(=O)C1=CC=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300030315958	1	41	-2.0	-93.20	366.65	1.74	-91.46
O=C(NC1CCSC12CN(C(=O)C1=CC([O-])=CC(=O)O1)C2)C1=CC(=O)[N-]O1	REAL300030315961	0	40	-2.0	-110.43	365.48	1.45	-108.98
CC1=CC=C([O-])C(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030316011	1	43	-2.0	-103.40	378.16	2.75	-100.65
O=C(CCC1=NC(=O)[N-]N1)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316012	1	43	-2.0	-106.51	383.47	-1.46	-107.97
O=C(NC1CCSC12CN(C(=O)C1=C[N-]N=CC1=O)C2)C1=CC(=O)[N-]O1	REAL300030316021	0	39	-2.0	-110.36	348.00	1.59	-108.77
O=C(NC1CCSC12CN(C(=O)C1=CC=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030316028	0	41	-2.0	-104.46	366.24	3.26	-101.20
O=C(NC1CCSC12CN(C(=O)C1=CC=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030316086	1	41	-2.0	-101.31	366.54	1.73	-99.58
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030316156	0	38	-2.0	-91.35	344.87	-1.43	-92.78
C[PH](C)([O-])C(=O)C(=O)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316161	0	43	-2.0	-103.82	378.36	0.08	-103.74
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300030316209	0	41	-2.0	-104.49	365.89	2.15	-102.34
O=C(NC1CCSC12CN(C(=O)C1=NNC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030316225	0	37	-2.0	-92.76	340.02	-2.95	-95.71
O=C(NC1CCSC12CN(C(=O)C1=CC=CN([O-])C1=O)C2)C1=CC(=O)[N-]O1	REAL300030316230	0	41	-2.0	-116.60	373.77	2.42	-114.18
O=C(NC1CCSC12CN(C(=O)C1=CC(F)=CC=C1O)C2)C1=CC(=O)[N-]O1	REAL300030316332	0	41	-2.0	-98.32	366.40	3.26	-95.06
O=C(NC1CCSC12CN(C(=O)C1=CC(F)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030316332	1	41	-2.0	-98.32	366.40	3.26	-95.06
CC1=CC=NC(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)=C1O	REAL300030316374	0	43	-2.0	-102.74	376.88	2.85	-99.89
CC1=CC=NC(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300030316374	1	43	-2.0	-102.74	376.88	2.85	-99.89
O=C(NC1CCSC12CN(C(=O)C1=CN=CC(O)=C1)C2)C1=CC(=O)[N-]O1	REAL300030316430	0	40	-2.0	-95.12	354.96	-0.22	-95.34
O=C(NC1CCSC12CN(C(=O)C1=CN=CC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030316430	1	40	-2.0	-95.12	354.96	-0.22	-95.34
O=C(CC1=NC([O-])=CS1)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030316515	0	40	-2.0	-107.68	374.06	-1.59	-109.27
CC1=CC(=O)C(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030316614	0	42	-2.0	-95.85	373.30	2.37	-93.48
O=C(NC1CCSC12CN(C(=O)C1=CC=CC(=O)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300030316629	0	41	-2.0	-132.17	364.72	3.23	-128.94
CN1N=C(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030316673	0	40	-2.0	-97.09	362.33	-1.25	-98.34
O=C(NC1CCSC12CN(C(=O)C1=CC=C(F)C(O)=C1)C2)C1=CC(=O)[N-]O1	REAL300030316792	0	41	-2.0	-99.39	366.12	1.63	-97.76
O=C(NC1CCSC12CN(C(=O)C1=CC=C(F)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030316792	1	41	-2.0	-99.39	366.12	1.63	-97.76
O=C(NC1CCSC12CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2)C1=CC(=O)[N-]O1	REAL300030316839	0	39	-2.0	-89.03	358.18	-4.24	-93.27
O=C(NC1CCSC12CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030316839	1	39	-2.0	-89.52	358.28	-3.40	-92.92
NC1=NC=C(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030316874	1	41	-2.0	-101.20	362.17	0.10	-101.10
O=C(NC1CCSC12CN(C(=O)C1=CC=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030316956	0	40	-2.0	-103.33	353.05	1.45	-101.88
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)[N-]O1	REAL300030316961	0	37	-2.0	-115.68	340.44	-0.75	-116.43
CC1=C([O-])N=C(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)S1	REAL300030316976	1	40	-2.0	-94.21	372.03	-1.10	-95.31
O=C(NC1CCSC12CN(C(=O)C1=CC(=O)NC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030317072	0	41	-2.0	-102.13	366.58	-2.41	-104.54
CCN1[N-]C(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030317113	0	44	-2.0	-94.18	389.42	1.20	-92.98
CN1[N-]C(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030317129	0	41	-2.0	-93.68	367.69	0.27	-93.41
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)SCCC2NC(=O)C1=CC(=O)[N-]O1	REAL300030317207	1	41	-2.0	-103.85	369.39	-0.79	-104.64
O=C(NC1CCSC12CN(C(=O)C1=CC=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300030317211	1	41	-2.0	-95.41	366.08	1.68	-93.73
CC1=CN=C(C(=O)N2CC3(C2)SCCC3NC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030317272	1	43	-2.0	-106.69	378.48	2.73	-103.96
O=C(NC1CCSC12CN(C(=O)C1=CC([O-])=CS1)C2)C1=CC(=O)[N-]O1	REAL300030317285	0	38	-2.0	-98.31	352.64	0.64	-97.67
O=C(NC1CCSC12CN(C(=O)C1=CN([O-])C(=O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300030317296	0	41	-2.0	-103.17	365.44	2.15	-101.02
CC(NC(=O)C1=CN=C(C2CC2)[N-]C1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030317817	1	47	-2.0	-85.57	395.26	1.05	-84.52
CC(NC(=O)CCCN1C(=O)[N-]NC1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318529	0	48	-2.0	-94.93	407.48	-1.29	-96.22
CC(NC(=O)CCC1=NNC(=O)[N-]C1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318768	0	46	-2.0	-92.95	395.18	-4.02	-96.97
CC(=O)[N-]C1=NC(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030318769	1	44	-2.0	-82.89	389.90	-0.44	-83.33
CC(NC(=O)CCN1C=C[N-]C(=O)C1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030318948	1	47	-2.0	-101.70	400.90	0.11	-101.59
COC1=C(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030319070	1	45	-2.0	-94.48	384.43	-2.84	-97.32
CC(NC(=O)C1=NNC(=O)[N-]C1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319197	0	40	-2.0	-91.09	351.34	-4.09	-95.18
CC(NC(=O)CN1C(=O)[N-]NC1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030319325	0	42	-2.0	-96.34	364.96	-2.48	-98.82
CC(NC(=O)C1=CN([O-])C(=O)C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320280	0	42	-2.0	-105.63	361.89	2.00	-103.63
CC(NC(=O)C1=CC(=O)NC([O-])=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320464	0	42	-2.0	-89.37	362.38	-2.90	-92.27
CC(NC(=O)C1=COC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320477	1	38	-2.0	-86.14	334.95	-3.00	-89.14
CC([N-]C(=O)C(F)(F)C(F)(F)F)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320608	1	37	-2.0	-80.22	335.29	0.99	-79.23
CCN1[N-]C(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030320728	0	45	-2.0	-89.26	384.32	0.63	-88.63
CC(NC(=O)CC1=CC(=O)N[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320737	1	42	-2.0	-97.39	359.95	-1.45	-98.84
CC(NC(=O)C1=CC=CC(=S)N1[O-])C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320762	0	42	-2.0	-122.18	370.47	4.04	-118.14
CC(NC(=O)CC1SC(=O)[N-]C1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320778	0	42	-2.0	-87.14	373.57	-2.88	-90.02
CC(NC(=O)C1=NN(C)C(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320797	0	41	-2.0	-92.54	357.16	-1.79	-94.33
CC(NC(=O)C1=C[N-]N=CC1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320925	0	40	-2.0	-78.43	344.00	0.14	-78.29
CC(NC(=O)C1=CC=C2N=NN([O-])C2=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030320965	0	44	-2.0	-102.34	378.48	0.50	-101.84
CC(NC(=O)C1=CC(=O)N[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321072	0	39	-2.0	-85.98	339.78	-2.01	-87.99
CC(NC(=O)C(=O)[PH](C)(C)[O-])C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321077	0	44	-2.0	-87.70	373.77	-0.50	-88.20
CC(NC(=O)C1=CC=CN([O-])C1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321128	0	42	-2.0	-104.10	359.45	2.17	-101.93
CSC1=NC=C(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030321149	0	44	-2.0	-85.13	385.42	-0.03	-85.16
CSC1=NC=C(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030321149	1	44	-2.0	-85.13	385.42	-0.03	-85.16
CC(NC(=O)C1=NC(=O)C(C)S1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321175	0	41	-2.0	-92.64	366.32	-1.90	-94.54
CC1=C([O-])N=C(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030321175	1	41	-2.0	-92.64	366.32	-1.90	-94.54
CC(NC(=O)C1=CC(=O)C=C(Cl)N1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321198	0	41	-2.0	-82.84	369.93	1.28	-81.56
CC(NC(=O)C1=CC(=O)C=C(Cl)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321198	1	41	-2.0	-82.84	369.93	1.28	-81.56
CC(NC(=O)C1=CC(=O)N([O-])C=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321223	0	42	-2.0	-106.33	362.27	1.99	-104.34
CC(NC(=O)C1=CC=CC(=O)N1[O-])C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321288	0	42	-2.0	-119.22	359.36	3.00	-116.22
CC(NC(=O)CC1=C([O-])N=C(N)S1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321473	0	43	-2.0	-105.15	380.61	-3.03	-108.18
CC(NC(=O)CC1=NC([O-])=CS1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321539	0	41	-2.0	-109.89	365.80	-2.18	-112.07
CCC1=NC=C(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030321566	0	46	-2.0	-84.36	384.17	0.45	-83.91
CCC1=NC=C(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030321566	1	46	-2.0	-84.36	384.17	0.45	-83.91
CC(NC(=O)C1=C(Cl)C(=O)[N-]S1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321664	0	38	-2.0	-90.71	356.84	-0.77	-91.48
COCC1=NC=C(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030321783	1	47	-2.0	-91.39	397.28	-1.29	-92.68
CC1=CC(=O)C(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030321890	0	43	-2.0	-89.48	368.50	1.77	-87.71
CC(NC(=O)C1=NC(=O)N[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321909	0	38	-2.0	-86.05	334.38	-3.32	-89.37
CC(NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030321935	1	43	-2.0	-89.96	376.47	0.96	-89.00
CC(NC(=O)C1=CN=C(C=N[O-])S1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322083	0	41	-2.0	-99.24	375.16	-0.42	-99.66
COC1=NC(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030322104	0	44	-2.0	-90.55	380.50	-4.01	-94.56
CC(NC(=O)C1=CC(=O)N(C)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322336	0	42	-2.0	-88.56	362.59	-0.29	-88.85
CC(NC(=O)C1=CC=CC2=C1C(=O)[N-]C2=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322346	1	45	-2.0	-105.45	385.31	0.10	-105.35
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322349	0	42	-2.0	-93.56	376.26	-2.25	-95.81
CC1=C(C(=O)NC(C)C2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300030322350	1	44	-2.0	-110.74	389.67	-0.98	-111.72
CC(NC(=O)C1=NC(=O)[N-]C(=O)N1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322579	0	40	-2.0	-89.25	352.90	-5.06	-94.31
CC(NC(=O)C1=NC(=O)NC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322579	1	40	-2.0	-83.15	353.55	-4.31	-87.46
CC(NC(=O)COC1=NC(=O)[N-]C(=O)N1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322658	0	44	-2.0	-95.34	386.17	-5.94	-101.28
CC(NC(=O)COC1=NC(=O)NC(=O)[N-]1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322658	1	44	-2.0	-89.37	386.12	-5.89	-95.26
CC(NC(=O)CN1[N-]C(=O)C=CC1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030322811	0	44	-2.0	-96.84	381.07	-1.49	-98.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300030323068	1	41	-2.0	-99.39	351.13	2.01	-97.38
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1	REAL300030323193	1	47	-2.0	-95.87	403.79	0.26	-95.61
CC(=O)[N-]C1=NC(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030323207	1	44	-2.0	-84.19	389.41	0.11	-84.08
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300030323242	0	40	-2.0	-98.73	350.52	-3.77	-102.50
COC1=C(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030323299	1	45	-2.0	-91.23	381.47	-2.58	-93.81
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300030323486	0	42	-2.0	-101.80	368.36	-2.27	-104.07
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCCN2C(=O)[N-]NC2=O)C1	REAL300030324587	0	48	-2.0	-91.12	410.30	-1.14	-92.26
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300030324820	1	47	-2.0	-102.49	404.74	0.81	-101.68
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCC2=NNC(=O)[N-]C2=O)C1	REAL300030325774	0	46	-2.0	-89.53	398.02	-3.88	-93.41
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1	REAL300030325784	0	44	-2.0	-98.10	378.91	2.88	-95.22
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300030325798	1	42	-2.0	-104.25	372.97	2.77	-101.48
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300030325832	1	43	-2.0	-90.33	374.36	1.61	-88.72
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C1	REAL300030325864	0	44	-2.0	-99.63	385.32	0.91	-98.72
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1	REAL300030325930	0	44	-2.0	-102.20	382.99	3.80	-98.40
CCC1=NC=C(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030325964	1	46	-2.0	-101.18	393.67	0.23	-100.95
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300030325989	1	38	-2.0	-89.36	334.07	-2.03	-91.39
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1	REAL300030326077	0	44	-2.0	-100.55	386.49	2.37	-98.18
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300030326095	0	41	-2.0	-92.74	372.63	-1.98	-94.72
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300030326096	0	43	-2.0	-113.01	384.06	-2.77	-115.78
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300030326107	0	42	-2.0	-85.14	375.90	1.57	-83.57
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300030326131	1	42	-2.0	-89.35	363.65	1.44	-87.91
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300030326140	0	41	-2.0	-90.06	358.96	0.67	-89.39
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300030326151	1	43	-2.0	-89.38	373.64	1.59	-87.79
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300030326157	0	41	-2.0	-100.04	368.17	0.70	-99.34
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C(N)[N-]C(=O)C(C#N)=C2)C1	REAL300030326164	0	44	-2.0	-90.26	390.76	-1.47	-91.73
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300030326183	0	43	-2.0	-105.22	378.78	-3.36	-108.58
CC1=CC=C([O-])C(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030326276	1	44	-2.0	-100.07	372.69	2.55	-97.52
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300030326280	1	44	-2.0	-96.43	378.08	-2.26	-98.69
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300030326304	0	40	-2.0	-92.18	352.56	-0.12	-92.30
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300030326318	0	42	-2.0	-102.23	362.96	2.48	-99.75
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300030326453	1	42	-2.0	-99.09	363.21	1.44	-97.65
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1	REAL300030326540	0	44	-2.0	-103.87	379.48	2.96	-100.91
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300030326610	0	39	-2.0	-86.77	339.48	-1.70	-88.47
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300030326618	0	44	-2.0	-92.70	373.64	-0.40	-93.10
COCC1=NC=C(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030326688	0	47	-2.0	-101.36	406.60	-1.53	-102.89
COCC1=NC=C(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030326688	1	47	-2.0	-101.36	406.60	-1.53	-102.89
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300030326751	0	42	-2.0	-102.91	369.93	2.09	-100.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C1	REAL300030326785	0	42	-2.0	-99.14	375.38	1.42	-97.72
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NNC(=O)[N-]2)C1	REAL300030326787	0	38	-2.0	-90.13	334.09	-3.25	-93.38
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C(O)C=CC=C2Cl)C1	REAL300030326793	0	42	-2.0	-103.27	378.40	1.93	-101.34
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300030326793	1	42	-2.0	-103.27	378.40	1.93	-101.34
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300030326802	0	42	-2.0	-116.68	368.88	2.00	-114.68
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300030326843	0	42	-2.0	-91.53	375.83	1.62	-89.91
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300030326843	1	42	-2.0	-91.53	375.83	1.62	-89.91
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NC(N)=CC(=O)[N-]2)C1	REAL300030326971	0	42	-2.0	-95.09	363.20	-2.07	-97.16
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300030327048	0	42	-2.0	-92.33	369.45	1.74	-90.59
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300030327055	1	42	-2.0	-103.42	362.66	2.32	-101.10
CC1=CC=NC(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300030327151	1	44	-2.0	-99.32	371.42	2.67	-96.65
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1	REAL300030327217	0	42	-2.0	-108.18	378.58	2.86	-105.32
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300030327346	1	41	-2.0	-90.45	348.45	-0.61	-91.06
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300030327359	0	42	-2.0	-116.61	380.30	2.55	-114.06
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C1	REAL300030327529	1	44	-2.0	-90.49	382.20	-0.28	-90.77
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300030327534	0	41	-2.0	-84.22	369.43	0.82	-83.40
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300030327604	1	42	-2.0	-88.42	372.37	1.88	-86.54
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1	REAL300030327607	0	45	-2.0	-102.32	390.01	0.54	-101.78
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300030327620	0	41	-2.0	-104.95	368.64	-2.02	-106.97
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300030327645	0	42	-2.0	-104.41	368.91	1.56	-102.85
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300030327648	0	44	-2.0	-102.54	384.55	-1.26	-103.80
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300030327651	0	42	-2.0	-96.47	363.42	2.31	-94.16
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030327701	0	45	-2.0	-107.07	388.34	2.10	-104.97
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300030327798	0	42	-2.0	-91.47	376.93	-2.70	-94.17
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300030327831	0	42	-2.0	-96.46	368.96	1.37	-95.09
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1	REAL300030327834	1	43	-2.0	-90.46	384.96	-0.05	-90.51
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300030327840	0	42	-2.0	-97.23	372.76	2.95	-94.28
CC1=CC(=O)C(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030327878	0	43	-2.0	-98.59	367.71	2.10	-96.49
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C1	REAL300030327884	0	47	-2.0	-102.40	400.27	1.72	-100.68
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300030327918	0	42	-2.0	-109.68	369.19	1.92	-107.76
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300030327965	0	42	-2.0	-96.61	378.38	-0.33	-96.94
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C1	REAL300030327966	0	44	-2.0	-91.44	389.56	-5.70	-97.14
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C1	REAL300030327966	1	44	-2.0	-85.69	389.50	-5.65	-91.34
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1	REAL300030327997	0	44	-2.0	-90.35	381.60	2.75	-87.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300030328042	0	41	-2.0	-99.54	356.76	-1.54	-101.08
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C1	REAL300030328083	0	44	-2.0	-92.20	385.32	-0.86	-93.06
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300030328126	0	43	-2.0	-95.93	380.20	-0.28	-96.21
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300030328126	1	43	-2.0	-95.93	380.20	-0.28	-96.21
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300030328139	0	43	-2.0	-100.29	377.08	2.70	-97.59
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300030328279	0	42	-2.0	-90.71	373.79	-0.56	-91.27
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C1	REAL300030328319	0	42	-2.0	-90.97	379.30	2.97	-88.00
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300030328354	1	42	-2.0	-93.17	359.69	1.21	-91.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1	REAL300030328363	1	47	-2.0	-119.45	397.12	2.79	-116.66
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1	REAL300030328367	0	44	-2.0	-93.20	385.16	2.91	-90.29
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1	REAL300030328370	0	44	-2.0	-88.02	384.88	3.11	-84.91
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300030328384	1	42	-2.0	-96.44	373.73	2.76	-93.68
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1	REAL300030328406	0	44	-2.0	-88.09	381.70	1.91	-86.18
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300030328493	0	40	-2.0	-90.08	351.80	-4.27	-94.35
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300030328493	1	40	-2.0	-83.81	352.75	-3.49	-87.30
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1	REAL300030328529	0	44	-2.0	-92.02	375.71	0.20	-91.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300030328572	1	47	-2.0	-115.32	395.76	4.25	-111.07
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1	REAL300030328573	0	38	-2.0	-93.40	354.13	-0.91	-94.31
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300030328598	1	42	-2.0	-101.59	367.03	-1.44	-103.03
CC1=C(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300030328632	0	45	-2.0	-85.17	388.34	1.47	-83.70
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300030328658	0	42	-2.0	-106.56	368.91	1.36	-105.20
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300030328718	0	42	-2.0	-88.38	375.68	1.88	-86.50
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1	REAL300030328724	1	43	-2.0	-90.17	383.63	0.96	-89.21
COC1=NC(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030328730	0	44	-2.0	-96.96	377.68	-3.28	-100.24
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1	REAL300030328733	0	44	-2.0	-94.56	383.74	0.08	-94.48
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300030328746	0	41	-2.0	-105.57	366.76	2.44	-103.13
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C1	REAL300030328752	1	45	-2.0	-96.26	399.77	2.81	-93.45
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300030328793	0	42	-2.0	-89.95	369.50	1.69	-88.26
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300030328804	0	41	-2.0	-96.54	351.86	0.39	-96.15
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030328814	0	38	-2.0	-90.50	334.52	-1.53	-92.03
CC1=C([O-])N=C(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030328853	1	41	-2.0	-94.44	365.91	-1.19	-95.63
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1	REAL300030328908	1	48	-2.0	-103.71	408.41	3.79	-99.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1	REAL300030328928	1	48	-2.0	-113.45	401.67	4.71	-108.74
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1	REAL300030328936	1	48	-2.0	-116.18	402.62	4.44	-111.74
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300030328988	1	44	-2.0	-87.92	375.87	1.33	-86.59
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300030329026	0	41	-2.0	-99.09	372.22	-0.63	-99.72
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300030329062	1	41	-2.0	-88.90	368.54	1.74	-87.16
CSC1=NC=C(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030329088	1	44	-2.0	-102.04	394.98	-0.27	-102.31
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300030329097	0	42	-2.0	-85.58	370.02	-2.76	-88.34
CCN1[N-]C(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030329182	0	45	-2.0	-90.04	383.98	0.91	-89.13
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300030329205	0	42	-2.0	-89.34	362.22	0.01	-89.33
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1	REAL300030329219	1	45	-2.0	-112.91	388.29	-0.56	-113.47
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300030329223	0	42	-2.0	-89.78	379.65	-2.03	-91.81
CC1=C(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300030329225	1	44	-2.0	-102.48	389.70	-0.59	-103.07
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1	REAL300030329298	1	47	-2.0	-104.71	402.47	1.79	-102.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300030329411	1	42	-2.0	-103.93	363.36	-1.20	-105.13
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300030329418	1	42	-2.0	-95.19	359.65	1.24	-93.95
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300030329483	0	42	-2.0	-95.99	365.89	1.32	-94.67
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300030329489	0	41	-2.0	-104.19	367.39	0.85	-103.34
CC1=C(CC(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300030329510	0	48	-2.0	-105.46	406.23	1.20	-104.26
CC1=CN=C(C(=O)N2CCC(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030329561	1	44	-2.0	-100.85	372.58	2.65	-98.20
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1	REAL300030329577	0	43	-2.0	-95.16	389.84	-0.72	-95.88
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC([O-])=CS2)C1	REAL300030329599	0	39	-2.0	-103.79	345.51	0.18	-103.61
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300030329623	0	42	-2.0	-102.48	369.08	2.00	-100.48
CC(NC(=O)C1=CC(=O)[N-]O1)C1CCN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1	REAL300030329629	0	42	-2.0	-100.26	378.87	2.72	-97.54
CC(NC(=O)C1=CN([O-])C(=O)NC1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030329683	0	42	-2.0	-86.43	364.53	-0.36	-86.79
CC(NC(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030329718	1	43	-2.0	-77.04	376.26	0.40	-76.64
O=C(C1=COC(=O)[N-]1)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330112	1	46	-2.0	-93.09	360.24	-3.21	-96.30
O=C(C1=CC(=O)N[N-]1)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330196	0	47	-2.0	-88.23	371.33	-3.09	-91.32
O=C(C1=NC(=O)N[N-]1)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330270	0	46	-2.0	-89.39	366.69	-3.76	-93.15
O=C(C1=CC(=O)[N-]O1)N1CC(CO)C2(C1)CCN(C(=O)C1=COC(=O)[N-]1)CC2	REAL300030330705	1	46	-2.0	-85.91	366.50	-2.80	-88.71
O=C(C1=CC(=O)[N-]O1)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)N[N-]1)CC2	REAL300030330762	0	47	-2.0	-87.90	371.37	-2.89	-90.79
O=C(C1=CC(=O)[N-]O1)N1CC(CO)C2(C1)CCN(C(=O)C1=NC(=O)N[N-]1)CC2	REAL300030330775	0	46	-2.0	-87.09	357.13	-2.36	-89.45
O=C(C1=CC(=O)[N-]O1)N1CC(CO)C2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030330928	0	46	-2.0	-92.15	366.32	-2.95	-95.10
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C2CC2)[N-]C1=O	REAL300030331439	1	48	-2.0	-97.93	385.27	1.33	-96.60
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NNC(=O)[N-]C1=O	REAL300030332243	0	41	-2.0	-107.40	340.59	-3.99	-111.39
O=C(CN1C(=O)[N-]NC1=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030332325	0	43	-2.0	-110.43	354.63	-2.21	-112.64
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)C=C1	REAL300030332917	0	43	-2.0	-118.59	351.68	2.28	-116.31
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)NC([O-])=C1	REAL300030333027	0	43	-2.0	-98.14	352.14	-2.63	-100.77
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=COC(=O)[N-]1	REAL300030333038	1	39	-2.0	-96.35	324.20	-2.78	-99.13
CCN1[N-]C(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030333205	0	46	-2.0	-104.66	373.58	0.85	-103.81
O=C(CC1=CC(=O)N[N-]1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333212	1	43	-2.0	-113.12	349.61	-1.16	-114.28
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=S)N1[O-]	REAL300030333228	0	43	-2.0	-145.40	360.31	4.17	-141.23
O=C(CC1SC(=O)[N-]C1=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333238	0	43	-2.0	-97.93	362.83	-2.63	-100.56
CN1N=C(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300030333252	0	42	-2.0	-108.16	346.35	-1.60	-109.76
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]N=CC1=O	REAL300030333339	0	41	-2.0	-91.07	333.25	0.38	-90.69
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C2N=NN([O-])C2=C1	REAL300030333372	0	45	-2.0	-117.81	368.24	0.79	-117.02
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N[N-]1	REAL300030333444	0	40	-2.0	-100.31	329.03	-1.79	-102.10
C[PH](C)([O-])C(=O)C(=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333448	0	45	-2.0	-102.73	367.48	-0.48	-103.21
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CN([O-])C1=O	REAL300030333481	0	43	-2.0	-104.19	349.28	2.45	-101.74
CC1SC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300030333511	0	42	-2.0	-101.42	355.80	-1.66	-103.08
CC1=C([O-])N=C(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030333511	1	42	-2.0	-101.42	355.80	-1.66	-103.08
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)C=C(Cl)N1	REAL300030333523	0	42	-2.0	-97.25	359.18	1.51	-95.74
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)C=C(Cl)[N-]1	REAL300030333523	1	42	-2.0	-97.25	359.18	1.51	-95.74
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N([O-])C=C1	REAL300030333538	0	43	-2.0	-117.77	352.05	2.28	-115.49
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=O)N1[O-]	REAL300030333576	0	43	-2.0	-141.56	349.19	3.13	-138.43
NC1=NC([O-])=C(CC(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030333694	0	44	-2.0	-115.16	370.28	-2.74	-117.90
O=C(CC1=NC([O-])=CS1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030333738	0	42	-2.0	-119.35	355.46	-1.88	-121.23
CCC1=NC=C(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300030333755	0	47	-2.0	-96.46	374.18	0.74	-95.72
CCC1=NC=C(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030333755	1	47	-2.0	-96.46	374.18	0.74	-95.72
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=C(Cl)C(=O)[N-]S1	REAL300030333823	0	39	-2.0	-100.68	346.59	-0.49	-101.17
CC1=CC(=O)C(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300030333971	0	44	-2.0	-107.23	357.75	1.87	-105.36
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)N[N-]1	REAL300030333985	0	39	-2.0	-98.18	323.63	-3.07	-101.25
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C=N[O-])S1	REAL300030334093	0	42	-2.0	-108.68	364.40	-0.21	-108.89
COC1=NC(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)=CC(=O)[N-]1	REAL300030334108	0	45	-2.0	-105.23	369.75	-3.78	-109.01
CN1[N-]C(C(=O)NC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030334265	0	43	-2.0	-103.31	351.73	-0.09	-103.40
O=C(CSC1=NNC(=O)[N-]1)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334272	0	43	-2.0	-103.43	365.92	-1.97	-105.40
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)[N-]C(=O)N1	REAL300030334420	0	41	-2.0	-97.77	342.16	-4.84	-102.61
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)NC(=O)[N-]1	REAL300030334420	1	41	-2.0	-95.91	342.77	-4.09	-100.00
O=C(CN1[N-]C(=O)C=CC1=O)NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030334564	0	45	-2.0	-110.40	370.71	-1.22	-111.62
O=C(NC12CCC(CC1)N(C(=O)C1=NC=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030334817	1	42	-2.0	-105.00	340.39	2.30	-102.70
O=C(NC12CCC(CC1)N(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030334952	0	41	-2.0	-97.34	339.93	-3.52	-100.86
O=C(CN1C(=O)[N-]NC1=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030335145	0	43	-2.0	-97.77	358.17	-2.04	-99.81
O=C(NC12CCC(CC1)N(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030336109	1	48	-2.0	-111.34	394.11	1.00	-110.34
O=C(NC12CCC(CC1)N(C(=O)C1=CC(Cl)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030336797	1	43	-2.0	-99.38	363.81	2.55	-96.83
N#CC1=CC([O-])=CC(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=C1	REAL300030336824	1	44	-2.0	-96.65	363.84	1.66	-94.99
CCC1=NC=C(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C(=O)[N-]1	REAL300030336923	1	47	-2.0	-109.58	383.02	0.41	-109.17
O=C(NC12CCC(CC1)N(C(=O)C1=COC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030336943	1	39	-2.0	-104.19	323.84	-1.51	-105.70
O=C(C[N-]C(=O)C(F)(F)F)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030337020	0	42	-2.0	-95.41	362.55	-1.77	-97.18
NC1=NC([O-])=C(CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)S1	REAL300030337021	0	44	-2.0	-108.56	373.84	-2.58	-111.14
O=C(NC12CCC(CC1)N(C(=O)C1=C(F)C=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300030337031	0	43	-2.0	-96.57	365.93	1.83	-94.74
O=C(NC12CCC(CC1)N(C(=O)C1=CC=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300030337047	1	43	-2.0	-97.45	353.90	1.60	-95.85
O=C(NC12CCC(CC1)N(C(=O)C1=CC([O-])=CC(=O)O1)C2)C1=CC(=O)[N-]O1	REAL300030337053	0	42	-2.0	-100.65	348.83	0.94	-99.71
N#CC1=CC=C(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C=C1[O-]	REAL300030337062	1	44	-2.0	-105.39	363.18	1.69	-103.70
O=C(NC12CCC(CC1)N(C(=O)C1=CC(Cl)=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030337066	0	42	-2.0	-101.11	359.05	0.50	-100.61
N#CC1=CC(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=C(N)[N-]C1=O	REAL300030337072	0	45	-2.0	-97.44	380.82	-1.20	-98.64
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030337089	0	44	-2.0	-96.91	368.53	-3.14	-100.05
CC1=CC=C([O-])C(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=N1	REAL300030337160	1	45	-2.0	-105.59	362.02	2.87	-102.72
O=C(CCC1=NNC(=O)[N-]1)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030337162	0	45	-2.0	-95.32	368.50	-1.41	-96.73
O=C(NC12CCC(CC1)N(C(=O)C1=C[N-]N=CC1=O)C2)C1=CC(=O)[N-]O1	REAL300030337181	0	41	-2.0	-99.52	342.17	0.11	-99.41
O=C(NC12CCC(CC1)N(C(=O)C1=CC=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030337192	0	43	-2.0	-112.43	353.52	2.33	-110.10
O=C(NC12CCC(CC1)N(C(=O)C1=CC=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030337296	1	43	-2.0	-109.43	353.79	1.60	-107.83
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030337421	0	40	-2.0	-97.34	328.69	-1.44	-98.78
C[PH](C)([O-])C(=O)C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030337427	0	45	-2.0	-95.82	361.84	-0.36	-96.18
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300030337535	0	43	-2.0	-109.26	358.92	2.24	-107.02
O=C(NC12CCC(CC1)N(C(=O)C1=NNC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030337564	0	39	-2.0	-99.92	323.39	-2.94	-102.86
O=C(NC12CCC(CC1)N(C(=O)C1=C(O)C=CC=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300030337568	0	43	-2.0	-109.68	368.71	2.21	-107.47
O=C(NC12CCC(CC1)N(C(=O)C1=C([O-])C=CC=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300030337568	1	43	-2.0	-109.68	368.71	2.21	-107.47
O=C(NC12CCC(CC1)N(C(=O)C1=CC=CN([O-])C1=O)C2)C1=CC(=O)[N-]O1	REAL300030337573	0	43	-2.0	-124.82	358.40	2.25	-122.57
O=C(NC12CCC(CC1)N(C(=O)C1=C(F)C=CC(O)=C1F)C2)C1=CC(=O)[N-]O1	REAL300030337603	0	43	-2.0	-106.90	365.72	1.79	-105.11
O=C(NC12CCC(CC1)N(C(=O)C1=C(F)C=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030337603	1	43	-2.0	-106.90	365.72	1.79	-105.11
O=C(NC12CCC(CC1)N(C(=O)C1=CC(F)=CC=C1O)C2)C1=CC(=O)[N-]O1	REAL300030337765	0	43	-2.0	-99.74	353.49	2.11	-97.63
O=C(NC12CCC(CC1)N(C(=O)C1=CC(F)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030337765	1	43	-2.0	-99.74	353.49	2.11	-97.63
CC1=CC=NC(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=C1O	REAL300030337832	0	45	-2.0	-105.24	360.86	2.99	-102.25
CC1=CC=NC(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=C1[O-]	REAL300030337832	1	45	-2.0	-105.24	360.86	2.99	-102.25
O=C(NC12CCC(CC1)N(C(=O)C1=CN=CC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030337963	1	42	-2.0	-105.47	337.91	-0.50	-105.97
O=C(NC12CCC(CC1)N(C(=O)C1=CC=CC(=S)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300030337973	0	43	-2.0	-133.27	370.12	2.71	-130.56
O=C(NC12CCC(CC1)N(C(=O)C1=CC=C([O-])C(Cl)=N1)C2)C1=CC(=O)[N-]O1	REAL300030338101	0	42	-2.0	-97.76	358.69	1.13	-96.63
O=C(NC12CCC(CC1)N(C(=O)C1=CC=C([O-])C=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300030338147	1	43	-2.0	-97.45	362.59	2.04	-95.41
N#CC1=CC(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=C([O-])C=C1N	REAL300030338149	0	46	-2.0	-103.36	380.94	0.57	-102.79
O=C(CC1=NC([O-])=CS1)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338159	0	42	-2.0	-107.49	359.02	-1.72	-109.21
O=C(NC12CCC(CC1)N(C(=O)C1=C([O-])C=CC=C1F)C2)C1=CC(=O)[N-]O1	REAL300030338174	0	43	-2.0	-103.00	359.21	1.84	-101.16
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338176	0	45	-2.0	-97.97	374.25	-1.10	-99.07
O=C(NC12CCC(CC1)N(C(=O)C1=CC=C(F)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030338178	0	43	-2.0	-98.94	353.66	2.39	-96.55
CC1=CC=C(F)C([O-])=C1C(=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338218	0	46	-2.0	-105.44	378.79	2.38	-103.06
O=C(CC1SC(=O)[N-]C1=O)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338293	0	43	-2.0	-91.63	366.78	-2.51	-94.14
O=C(NC12CCC(CC1)N(C(=O)C1=CC=C([O-])C(F)=C1F)C2)C1=CC(=O)[N-]O1	REAL300030338319	0	43	-2.0	-101.53	359.91	1.70	-99.83
O=C(NC12CCC(CC1)N(C(=O)C1=CC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030338326	0	43	-2.0	-107.35	363.33	2.81	-104.54
CC1=CC(=O)C(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=N[N-]1	REAL300030338357	0	44	-2.0	-101.61	357.16	2.30	-99.31
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030338361	0	48	-2.0	-108.27	389.87	1.95	-106.32
O=C(NC12CCC(CC1)N(C(=O)C1=CC=CC(=O)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300030338385	0	43	-2.0	-112.39	359.01	2.06	-110.33
N#CC1=CC=C(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C(=O)[N-]1	REAL300030338418	0	43	-2.0	-103.63	368.11	-0.05	-103.68
CN1N=C(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)[N-]C1=O	REAL300030338473	0	42	-2.0	-101.97	346.27	-1.27	-103.24
[N-]=[N+]=NC1=CC(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=CC=C1[O-]	REAL300030338499	0	45	-2.0	-97.29	375.61	-0.65	-97.94
O=C(NC12CCC(CC1)N(C(=O)C1=C(F)C=CC(O)=C1O)C2)C1=CC(=O)[N-]O1	REAL300030338535	0	44	-2.0	-103.83	370.05	-0.07	-103.90
O=C(NC12CCC(CC1)N(C(=O)C1=C(F)C=CC(O)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030338535	1	44	-2.0	-103.83	370.05	-0.07	-103.90
N#CC1=CC=C([O-])C(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=C1	REAL300030338545	0	44	-2.0	-101.33	367.97	2.74	-98.59
O=C(NC12CCC(CC1)N(C(=O)C1=CN([O-])C(=O)NC1=O)C2)C1=CC(=O)[N-]O1	REAL300030338647	0	43	-2.0	-101.90	363.31	-0.37	-102.27
O=C(NC12CCC(CC1)N(C(=O)C1=CC=C(F)C(O)=C1)C2)C1=CC(=O)[N-]O1	REAL300030338706	0	43	-2.0	-101.29	349.13	1.31	-99.98
O=C(NC12CCC(CC1)N(C(=O)C1=CC=C(F)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030338706	1	43	-2.0	-101.29	349.13	1.31	-99.98
O=C(NC12CCC(CC1)N(C(=O)C1=CC=C(Cl)C=C1O)C2)C1=CC(=O)[N-]O1	REAL300030338726	0	43	-2.0	-99.22	363.97	2.84	-96.38
O=C(NC12CCC(CC1)N(C(=O)C1=CC=C(Cl)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030338726	1	43	-2.0	-99.22	363.97	2.84	-96.38
O=C(NC12CCC(CC1)N(C(=O)C1=NC(=O)[N-]C(=O)N1)C2)C1=CC(=O)[N-]O1	REAL300030338804	0	41	-2.0	-105.82	341.69	-3.81	-109.63
O=C(NC12CCC(CC1)N(C(=O)C1=NC(=O)NC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030338804	1	41	-2.0	-97.45	342.11	-3.03	-100.48
O=C(NC12CCC(CC1)N(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2)C1=CC(=O)[N-]O1	REAL300030338825	0	45	-2.0	-114.78	365.27	0.30	-114.48
O=C(NC12CCC(CC1)N(C(=O)C1=C(Cl)C(=O)[N-]S1)C2)C1=CC(=O)[N-]O1	REAL300030338856	0	39	-2.0	-97.85	343.75	-0.67	-98.52
NC1=NC=C(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C(=O)[N-]1	REAL300030338874	1	43	-2.0	-109.80	356.37	-1.25	-111.05
CC1=C(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)[N-]C(=O)C(C#N)=C1	REAL300030338900	0	46	-2.0	-103.52	378.19	1.92	-101.60
O=C(NC12CCC(CC1)N(C(=O)C1=CC=C(F)C([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030338917	0	43	-2.0	-107.91	359.87	1.67	-106.24
COC1=NC(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=CC(=O)[N-]1	REAL300030338968	0	45	-2.0	-96.59	364.50	-2.85	-99.44
O=C(NC12CCC(CC1)N(C(=O)C1=CC=C3N[N-]N=C3C1=O)C2)C1=CC(=O)[N-]O1	REAL300030338969	0	45	-2.0	-97.44	372.77	0.21	-97.23
O=C(NC12CCC(CC1)N(C(=O)C1=NC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030338979	0	42	-2.0	-100.50	356.61	2.81	-97.69
O=C(NC12CCC(CC1)N(C(=O)C1=CC=C(Cl)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030339019	0	43	-2.0	-97.90	358.93	1.81	-96.09
O=C(NC12CCC(CC1)N(C(=O)C1=CC=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030339029	0	42	-2.0	-99.58	342.22	0.35	-99.23
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)[N-]O1	REAL300030339035	0	39	-2.0	-102.73	323.78	-1.30	-104.03
CC1=C([O-])N=C(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)S1	REAL300030339061	1	42	-2.0	-113.51	355.76	-0.74	-114.25
O=C(NC12CCC(CC1)N(C(=O)C(=O)C1=CC=C([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300030339160	1	45	-2.0	-95.44	366.25	1.72	-93.72
O=C(NC12CCC(CC1)N(C(=O)C1=CN=C(C=N[O-])S1)C2)C1=CC(=O)[N-]O1	REAL300030339186	0	42	-2.0	-106.60	361.37	-0.38	-106.98
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030339211	1	42	-2.0	-93.13	358.40	2.14	-90.99
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)NC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030339236	0	43	-2.0	-96.99	359.30	-2.65	-99.64
CCN1[N-]C(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=CC1=O	REAL300030339300	0	46	-2.0	-99.48	373.23	1.18	-98.30
CN1[N-]C(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=CC1=O	REAL300030339322	0	43	-2.0	-99.05	351.50	0.25	-98.80
O=C(CSC1=NNC(=O)[N-]1)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339334	0	43	-2.0	-95.67	369.47	-1.75	-97.42
O=C(CC1=CC(=O)N[N-]1)N1CC2(NC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030339482	1	43	-2.0	-96.74	353.13	-1.01	-97.75
O=C(NC12CCC(CC1)N(C(=O)C1=CC=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300030339487	1	43	-2.0	-100.34	349.09	1.35	-98.99
O=C(NC12CCC(CC1)N(C(=O)C1=CC(F)=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300030339541	0	43	-2.0	-102.59	355.37	1.43	-101.16
O=C(NC12CCC(CC1)N(C(=O)C1=CC=NC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030339547	0	42	-2.0	-104.06	358.40	0.59	-103.47
CC1=C(CC(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C(=O)N(C)[N-]1	REAL300030339562	0	49	-2.0	-104.31	395.96	1.43	-102.88
CC1=CN=C(C(=O)N2CC3(NC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C([O-])=C1	REAL300030339600	1	45	-2.0	-106.64	361.84	2.93	-103.71
O=C(NC12CCC(CC1)N(C(=O)C1=CC([O-])=CS1)C2)C1=CC(=O)[N-]O1	REAL300030339625	0	40	-2.0	-103.81	335.13	0.42	-103.39
O=C(NC12CCC(CC1)N(C(=O)C1=CN([O-])C(=O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300030339641	0	43	-2.0	-109.56	358.82	2.26	-107.30
O=C(NC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)NC1=O	REAL300030339674	0	43	-2.0	-98.78	354.52	-0.09	-98.87
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1=NNC(=O)[N-]C1=O	REAL300030340585	0	44	-2.0	-100.33	368.43	-3.14	-103.47
O=C(CN1C(=O)[N-]NC1=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030340646	0	46	-2.0	-105.30	383.59	-1.51	-106.81
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1=CN([O-])C(=O)C=C1	REAL300030341074	0	46	-2.0	-113.33	380.56	2.98	-110.35
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1=CC(=O)NC([O-])=C1	REAL300030341162	0	46	-2.0	-92.42	381.02	-1.93	-94.35
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1=COC(=O)[N-]1	REAL300030341173	1	42	-2.0	-89.37	352.05	-2.04	-91.41
O=C([N-]C1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C(F)(F)C(F)(F)F	REAL300030341239	1	41	-2.0	-88.38	354.48	1.13	-87.25
CCN1[N-]C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)=CC1=O	REAL300030341297	0	49	-2.0	-96.89	401.42	1.59	-95.30
O=C(CC1=CC(=O)N[N-]1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341304	1	46	-2.0	-109.06	378.59	-0.48	-109.54
CN1N=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)[N-]C1=O	REAL300030341331	0	45	-2.0	-100.22	374.13	-0.86	-101.08
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1=C[N-]N=CC1=O	REAL300030341394	0	44	-2.0	-83.90	361.10	1.11	-82.79
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1=CC(=O)N[N-]1	REAL300030341465	0	43	-2.0	-92.80	356.87	-1.06	-93.86
C[PH](C)([O-])C(=O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341470	0	48	-2.0	-95.60	396.82	0.32	-95.28
O=C(CCC1=NC(=O)NN1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341492	0	48	-2.0	-101.97	393.85	-1.44	-103.41
O=C(CCC1=NC(=O)[N-]N1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341492	1	48	-2.0	-101.97	393.85	-1.44	-103.41
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1=CC=CN([O-])C1=O	REAL300030341495	0	46	-2.0	-98.87	378.65	3.22	-95.65
CC1SC(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)=NC1=O	REAL300030341516	0	45	-2.0	-94.62	383.41	-0.94	-95.56
CC1=C([O-])N=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)S1	REAL300030341516	1	45	-2.0	-94.62	383.41	-0.94	-95.56
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1=CC(=O)N([O-])C=C1	REAL300030341534	0	46	-2.0	-112.70	380.93	2.97	-109.73
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1=CC=CC(=O)N1[O-]	REAL300030341559	0	46	-2.0	-134.79	378.00	3.97	-130.82
O=C(CC1=NC([O-])=CS1)NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030341678	0	45	-2.0	-121.22	384.45	-1.20	-122.42
CC1=CC(=O)C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)=N[N-]1	REAL300030341848	0	47	-2.0	-99.57	385.59	2.72	-96.85
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1=NC(=O)N[N-]1	REAL300030341859	0	42	-2.0	-90.65	351.47	-2.35	-93.00
CN1[N-]C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)=CC1=O	REAL300030342060	0	46	-2.0	-95.91	379.69	0.65	-95.26
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300030342166	0	44	-2.0	-88.47	370.65	-3.35	-91.82
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300030342166	1	44	-2.0	-88.47	370.65	-3.35	-91.82
O=C(NC1CN(C(=O)C2=NC=CC=C2O)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030342521	0	45	-2.0	-113.47	368.69	2.99	-110.48
O=C(NC1CN(C(=O)C2=NC=CC=C2[O-])CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030342521	1	45	-2.0	-113.47	368.69	2.99	-110.48
O=C(NC1CN(C(=O)C2=NNC(=O)[N-]C2=O)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030342624	0	44	-2.0	-101.90	370.75	-2.96	-104.86
O=C(CN1C(=O)[N-]NC1=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030342732	0	46	-2.0	-98.77	386.88	-1.26	-100.03
N#CC1=CC([O-])=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)=C1	REAL300030343668	1	47	-2.0	-100.63	398.98	2.70	-97.93
O=C(NC1CN(C(=O)C2=COC(=O)[N-]2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030343738	1	42	-2.0	-89.09	351.80	-0.57	-89.66
O=C(NC1CN(C(=O)C2=CC=C([O-])C=C2F)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030343811	1	46	-2.0	-104.67	384.91	2.45	-102.22
O=C(NC1CN(C(=O)C2=CC([O-])=CC(=O)O2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030343816	0	45	-2.0	-91.95	380.46	1.81	-90.14
N#CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C=C1[O-]	REAL300030343819	1	47	-2.0	-104.08	397.33	2.73	-101.35
CC1=CC=C([O-])C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)=N1	REAL300030343878	1	48	-2.0	-114.48	390.39	3.58	-110.90
O=C(NC1CN(C(=O)C2=C[N-]N=CC2=O)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030343890	0	44	-2.0	-101.41	369.91	0.84	-100.57
O=C(NC1CN(C(=O)C2=CC=CC(F)=C2[O-])CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030343897	0	46	-2.0	-115.10	385.34	2.81	-112.29
O=C(NC1CN(C(=O)C2=CC=CC([O-])=C2F)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030343969	1	46	-2.0	-113.48	385.63	2.46	-111.02
O=C(NC1CN(C(=O)C2=CC(=O)N[N-]2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030344044	0	43	-2.0	-93.51	357.70	-0.60	-94.11
C[PH](C)([O-])C(=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030344050	0	48	-2.0	-93.19	390.14	0.33	-92.86
O=C(NC1CN(C(=O)C2=CC(=O)N([O-])C=C2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030344109	0	46	-2.0	-119.99	386.77	2.99	-117.00
O=C(NC1CN(C(=O)C2=NC(=O)N[N-]2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030344126	0	42	-2.0	-90.11	351.05	-1.26	-91.37
O=C(NC1CN(C(=O)C2=CC=CN([O-])C2=O)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030344131	0	46	-2.0	-113.13	383.93	2.89	-110.24
O=C(NC1CN(C(=O)C2=CC(F)=CC=C2O)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030344251	0	46	-2.0	-106.11	384.64	2.73	-103.38
O=C(NC1CN(C(=O)C2=CC(F)=CC=C2[O-])CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030344251	1	46	-2.0	-106.11	384.64	2.73	-103.38
CC1=CC=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)=C1O	REAL300030344298	0	48	-2.0	-114.53	391.49	3.20	-111.33
CC1=CC=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)=C1[O-]	REAL300030344298	1	48	-2.0	-114.53	391.49	3.20	-111.33
O=C(NC1CN(C(=O)C2=CN=CC(O)=C2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030344366	0	45	-2.0	-90.68	371.01	0.47	-90.21
O=C(NC1CN(C(=O)C2=CN=CC([O-])=C2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030344366	1	45	-2.0	-90.68	371.01	0.47	-90.21
O=C(CC1=NC([O-])=CS1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030344468	0	45	-2.0	-109.36	386.16	-0.97	-110.33
CC1=CC(=O)C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)=N[N-]1	REAL300030344591	0	47	-2.0	-101.45	387.04	3.12	-98.33
O=C(NC1CN(C(=O)C2=CC=CC(=O)N2[O-])CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030344609	0	46	-2.0	-113.48	378.68	3.09	-110.39
N#CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C(=O)[N-]1	REAL300030344629	0	46	-2.0	-87.58	389.81	0.60	-86.98
CN1N=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)[N-]C1=O	REAL300030344659	0	45	-2.0	-100.96	373.67	-0.48	-101.44
N#CC1=CC=C([O-])C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)=C1	REAL300030344700	0	47	-2.0	-102.49	399.09	3.07	-99.42
O=C(NC1CN(C(=O)C2=CC=C(F)C(O)=C2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030344798	0	46	-2.0	-108.91	383.37	2.37	-106.54
O=C(NC1CN(C(=O)C2=CC=C(F)C([O-])=C2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030344798	1	46	-2.0	-108.91	383.37	2.37	-106.54
O=C(NC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030344856	0	44	-2.0	-89.27	369.85	-3.07	-92.34
O=C(NC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030344856	1	44	-2.0	-91.27	375.82	-3.57	-94.84
NC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C(=O)[N-]1	REAL300030344896	1	46	-2.0	-100.81	381.20	-0.49	-101.30
O=C(NC1CN(C(=O)C2=CC=NC=C2[O-])CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030344988	0	45	-2.0	-113.06	371.72	0.70	-112.36
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030344993	0	42	-2.0	-95.61	351.62	-0.57	-96.18
CC1=C([O-])N=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)S1	REAL300030345010	1	45	-2.0	-93.97	383.34	0.15	-93.82
O=C(NC1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030345089	1	48	-2.0	-94.75	396.20	2.47	-92.28
O=C(NC1CN(C(=O)C2=CC(=O)NC([O-])=C2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030345127	0	46	-2.0	-91.27	384.57	-2.03	-93.30
CCN1[N-]C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)=CC1=O	REAL300030345172	0	49	-2.0	-97.64	402.25	2.03	-95.61
CN1[N-]C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)=CC1=O	REAL300030345188	0	46	-2.0	-96.59	380.44	1.10	-95.49
O=C(CC1=CC(=O)N[N-]1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC2(CCC2)C1	REAL300030345278	1	46	-2.0	-98.90	380.31	-0.26	-99.16
O=C(NC1CN(C(=O)C2=CC=C([O-])C(F)=C2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030345282	1	46	-2.0	-106.38	383.35	2.40	-103.98
CC1=CN=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC3(CCC3)C2)C([O-])=C1	REAL300030345351	1	48	-2.0	-115.11	390.14	3.63	-111.48
O=C(NC1CN(C(=O)C2=CC([O-])=CS2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030345364	0	43	-2.0	-105.18	367.38	1.24	-103.94
O=C(NC1CN(C(=O)C2=CN([O-])C(=O)C=C2)CC2(CCC2)C1)C1=CC(=O)[N-]O1	REAL300030345377	0	46	-2.0	-110.44	380.51	2.78	-107.66
O=C(NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=NNC(=O)[N-]C1=O	REAL300030346208	0	44	-2.0	-96.37	351.64	-2.33	-98.70
O=C(CN1C(=O)[N-]NC1=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346261	0	46	-2.0	-94.66	365.89	-0.62	-95.28
O=C(NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CN([O-])C(=O)C=C1	REAL300030346616	0	46	-2.0	-103.60	363.85	4.03	-99.57
O=C(NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC(=O)NC([O-])=C1	REAL300030346689	0	46	-2.0	-99.37	363.81	-1.01	-100.38
O=C(NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=COC(=O)[N-]1	REAL300030346700	1	42	-2.0	-105.55	336.07	-0.93	-106.48
CCN1[N-]C(C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)=CC1=O	REAL300030346810	0	49	-2.0	-99.75	385.23	2.59	-97.16
O=C(CC1=CC(=O)N[N-]1)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346816	1	46	-2.0	-94.51	361.29	0.52	-93.99
CN1N=C(C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)[N-]C1=O	REAL300030346839	0	45	-2.0	-101.49	357.91	0.16	-101.33
O=C(NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=C[N-]N=CC1=O	REAL300030346894	0	44	-2.0	-96.29	344.85	2.05	-94.24
O=C(NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC(=O)N[N-]1	REAL300030346957	0	43	-2.0	-98.84	340.87	-0.08	-98.92
C[PH](C)([O-])C(=O)C(=O)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030346961	0	48	-2.0	-95.95	379.42	1.24	-94.71
O=C(NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC=CN([O-])C1=O	REAL300030346985	0	46	-2.0	-126.78	361.69	4.40	-122.38
CC1SC(C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)=NC1=O	REAL300030347005	0	45	-2.0	-118.67	366.86	-0.09	-118.76
CC1=C([O-])N=C(C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)S1	REAL300030347005	1	45	-2.0	-118.67	366.86	-0.09	-118.76
O=C(NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC(=O)N([O-])C=C1	REAL300030347018	0	46	-2.0	-106.46	363.50	3.89	-102.57
O=C(NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC=CC(=O)N1[O-]	REAL300030347039	0	46	-2.0	-111.62	360.71	4.90	-106.72
O=C(CC1=NC([O-])=CS1)NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030347138	0	45	-2.0	-101.79	367.13	-0.20	-101.99
CC1=CC(=O)C(C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)=N[N-]1	REAL300030347284	0	47	-2.0	-101.53	368.80	3.53	-98.00
O=C(NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=NNC(=O)[N-]1	REAL300030347293	0	42	-2.0	-99.13	335.08	-1.50	-100.63
CN1[N-]C(C(=O)NC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)=CC1=O	REAL300030347464	0	46	-2.0	-99.00	363.50	1.65	-97.35
O=C(NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=NC(=O)[N-]C(=O)N1	REAL300030347552	0	44	-2.0	-105.90	353.78	-3.08	-108.98
O=C(NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=NC(=O)NC(=O)[N-]1	REAL300030347552	1	44	-2.0	-99.21	354.84	-2.30	-101.51
O=C(NC12CCCC1N(C(=O)C1=NC=CC=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300030347892	1	45	-2.0	-110.52	352.84	3.93	-106.59
O=C(NC12CCCC1N(C(=O)C1=NNC(=O)[N-]C1=O)CCC2)C1=CC(=O)[N-]O1	REAL300030347989	0	44	-2.0	-101.88	352.80	-1.81	-103.69
O=C(CN1C(=O)[N-]NC1=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030348085	0	46	-2.0	-104.50	369.80	-0.26	-104.76
N#CC1=CC([O-])=CC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)=C1	REAL300030348872	1	47	-2.0	-92.76	381.72	3.60	-89.16
O=C(NC12CCCC1N(C(=O)C1=COC(=O)[N-]1)CCC2)C1=CC(=O)[N-]O1	REAL300030348930	1	42	-2.0	-96.20	336.13	0.46	-95.74
O=C(NC12CCCC1N(C(=O)C1=CC=C([O-])C=C1F)CCC2)C1=CC(=O)[N-]O1	REAL300030349000	1	46	-2.0	-96.24	369.79	3.46	-92.78
O=C(NC12CCCC1N(C(=O)C1=CC([O-])=CC(=O)O1)CCC2)C1=CC(=O)[N-]O1	REAL300030349005	0	45	-2.0	-100.61	362.95	2.70	-97.91
N#CC1=CC=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C=C1[O-]	REAL300030349007	1	47	-2.0	-92.54	381.09	3.67	-88.87
CC1=CC=C([O-])C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)=N1	REAL300030349058	1	48	-2.0	-109.07	374.69	4.51	-104.56
O=C(NC12CCCC1N(C(=O)C1=C[N-]N=CC1=O)CCC2)C1=CC(=O)[N-]O1	REAL300030349070	0	44	-2.0	-103.83	354.37	1.90	-101.93
O=C(NC12CCCC1N(C(=O)C1=CC=CC(F)=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300030349075	0	46	-2.0	-125.10	366.39	4.24	-120.86
O=C(NC12CCCC1N(C(=O)C1=CC=CC([O-])=C1F)CCC2)C1=CC(=O)[N-]O1	REAL300030349136	1	46	-2.0	-121.77	366.60	3.40	-118.37
O=C(NC12CCCC1N(C(=O)C1=CC(=O)N[N-]1)CCC2)C1=CC(=O)[N-]O1	REAL300030349199	0	43	-2.0	-98.05	340.60	0.37	-97.68
C[PH](C)([O-])C(=O)C(=O)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349204	0	48	-2.0	-99.54	379.55	1.21	-98.33
O=C(NC12CCCC1N(C(=O)C1=CC(=O)N([O-])C=C1)CCC2)C1=CC(=O)[N-]O1	REAL300030349256	0	46	-2.0	-120.90	368.29	3.82	-117.08
O=C(NC12CCCC1N(C(=O)C1=NC(=O)N[N-]1)CCC2)C1=CC(=O)[N-]O1	REAL300030349273	0	42	-2.0	-95.64	335.48	-0.19	-95.83
O=C(NC12CCCC1N(C(=O)C1=CC=CN([O-])C1=O)CCC2)C1=CC(=O)[N-]O1	REAL300030349277	0	46	-2.0	-138.55	370.82	3.90	-134.65
O=C(NC12CCCC1N(C(=O)C1=CC(F)=CC=C1O)CCC2)C1=CC(=O)[N-]O1	REAL300030349379	0	46	-2.0	-91.60	366.55	3.55	-88.05
O=C(NC12CCCC1N(C(=O)C1=CC(F)=CC=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300030349379	1	46	-2.0	-91.60	366.55	3.55	-88.05
CC1=CC=NC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)=C1O	REAL300030349423	0	48	-2.0	-110.24	373.63	4.72	-105.52
CC1=CC=NC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)=C1[O-]	REAL300030349423	1	48	-2.0	-110.24	373.63	4.72	-105.52
O=C(NC12CCCC1N(C(=O)C1=CN=CC(O)=C1)CCC2)C1=CC(=O)[N-]O1	REAL300030349486	0	45	-2.0	-110.39	355.68	1.35	-109.04
O=C(NC12CCCC1N(C(=O)C1=CN=CC([O-])=C1)CCC2)C1=CC(=O)[N-]O1	REAL300030349486	1	45	-2.0	-110.39	355.68	1.35	-109.04
O=C(CC1=NC([O-])=CS1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030349577	0	45	-2.0	-124.64	370.67	0.10	-124.54
CC1=CC(=O)C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)=N[N-]1	REAL300030349679	0	47	-2.0	-100.61	369.86	4.03	-96.58
O=C(NC12CCCC1N(C(=O)C1=CC=CC(=O)N1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300030349692	0	46	-2.0	-104.90	370.77	3.71	-101.19
N#CC1=CC=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C(=O)[N-]1	REAL300030349708	0	46	-2.0	-111.37	380.53	1.62	-109.75
CN1N=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)[N-]C1=O	REAL300030349733	0	45	-2.0	-105.47	358.17	0.63	-104.84
N#CC1=CC=C([O-])C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)=C1	REAL300030349769	0	47	-2.0	-109.26	381.47	4.07	-105.19
O=C(NC12CCCC1N(C(=O)C1=CC=C(F)C([O-])=C1)CCC2)C1=CC(=O)[N-]O1	REAL300030349854	1	46	-2.0	-96.71	367.11	3.29	-93.42
O=C(NC12CCCC1N(C(=O)C1=NC(=O)[N-]C(=O)N1)CCC2)C1=CC(=O)[N-]O1	REAL300030349901	0	44	-2.0	-92.39	354.59	-1.30	-93.69
O=C(NC12CCCC1N(C(=O)C1=NC(=O)NC(=O)[N-]1)CCC2)C1=CC(=O)[N-]O1	REAL300030349901	1	44	-2.0	-92.39	354.59	-1.30	-93.69
NC1=NC=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C(=O)N1	REAL300030349932	0	46	-2.0	-93.10	362.55	0.42	-92.68
NC1=NC=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C(=O)[N-]1	REAL300030349932	1	46	-2.0	-93.10	362.55	0.42	-92.68
O=C(NC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC(=O)[N-]O1	REAL300030350016	0	42	-2.0	-102.12	335.65	0.55	-101.57
CC1SC(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)=NC1=O	REAL300030350030	0	45	-2.0	-99.96	367.56	1.19	-98.77
CC1=C([O-])N=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)S1	REAL300030350030	1	45	-2.0	-99.96	367.56	1.19	-98.77
O=C(NC12CCCC1N(C(=O)C(=O)C1=CC=C(O)C=C1)CCC2)C1=CC(=O)[N-]O1	REAL300030350101	0	48	-2.0	-96.02	387.31	3.24	-92.78
O=C(NC12CCCC1N(C(=O)C(=O)C1=CC=C([O-])C=C1)CCC2)C1=CC(=O)[N-]O1	REAL300030350101	1	48	-2.0	-96.02	387.31	3.24	-92.78
O=C(NC12CCCC1N(C(=O)C1=CC(=O)NC([O-])=C1)CCC2)C1=CC(=O)[N-]O1	REAL300030350133	0	46	-2.0	-96.19	363.98	-1.19	-97.38
CCN1[N-]C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)=CC1=O	REAL300030350175	0	49	-2.0	-102.02	385.00	2.94	-99.08
CN1[N-]C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)=CC1=O	REAL300030350187	0	46	-2.0	-100.97	363.19	2.01	-98.96
O=C(CC1=CC(=O)NN1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030350257	0	46	-2.0	-108.47	364.82	0.81	-107.66
O=C(CC1=CC(=O)N[N-]1)N1CCCC2(NC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030350257	1	46	-2.0	-108.47	364.82	0.81	-107.66
O=C(NC12CCCC1N(C(=O)C1=CC=C(O)C(F)=C1)CCC2)C1=CC(=O)[N-]O1	REAL300030350261	0	46	-2.0	-101.30	367.10	3.32	-97.98
O=C(NC12CCCC1N(C(=O)C1=CC=C([O-])C(F)=C1)CCC2)C1=CC(=O)[N-]O1	REAL300030350261	1	46	-2.0	-101.30	367.10	3.32	-97.98
CC1=CN=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C(O)=C1	REAL300030350319	0	48	-2.0	-112.30	374.29	4.61	-107.69
CC1=CN=C(C(=O)N2CCCC3(NC(=O)C4=CC(=O)[N-]O4)CCCC23)C([O-])=C1	REAL300030350319	1	48	-2.0	-112.30	374.29	4.61	-107.69
O=C(NC12CCCC1N(C(=O)C1=CC([O-])=CS1)CCC2)C1=CC(=O)[N-]O1	REAL300030350331	0	43	-2.0	-113.62	350.75	2.16	-111.46
O=C(NC12CCCC1N(C(=O)C1=CN([O-])C(=O)C=C1)CCC2)C1=CC(=O)[N-]O1	REAL300030350342	0	46	-2.0	-123.09	368.12	3.82	-119.27
O=C(CCCN1C(=O)[N-]NC1=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351466	0	45	-2.0	-97.67	385.37	-1.86	-99.53
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351673	0	43	-2.0	-94.63	373.07	-4.59	-99.22
CC(=O)[N-]C1=NC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)=CS1	REAL300030351674	1	41	-2.0	-84.84	366.95	-1.21	-86.05
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030351825	1	44	-2.0	-100.86	378.84	-0.45	-101.31
COC1=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)NC(=O)[N-]C1=O	REAL300030351931	1	42	-2.0	-92.30	362.21	-3.54	-95.84
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=NNC(=O)[N-]C1=O	REAL300030352040	0	37	-2.0	-95.13	328.39	-4.85	-99.98
O=C(CN1C(=O)[N-]NC1=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030352156	0	39	-2.0	-98.34	342.87	-3.04	-101.38
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=CN([O-])C(=O)C=C1	REAL300030352993	0	39	-2.0	-106.54	339.87	1.42	-105.12
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=CC(=O)NC([O-])=C1	REAL300030353152	0	39	-2.0	-87.57	340.08	-3.59	-91.16
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=COC(=O)[N-]1	REAL300030353164	1	35	-2.0	-87.33	312.35	-3.65	-90.98
O=C([N-][C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C(F)(F)C(F)(F)F	REAL300030353283	0	34	-2.0	-85.28	315.66	-0.35	-85.63
CCN1[N-]C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)=CC1=O	REAL300030353387	0	42	-2.0	-92.72	361.38	-0.13	-92.85
O=C(CC1=CC(=O)N[N-]1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353395	1	39	-2.0	-101.51	337.86	-2.01	-103.52
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=CC=CC(=S)N1[O-]	REAL300030353418	0	39	-2.0	-129.22	348.36	3.45	-125.77
O=C(CC1SC(=O)[N-]C1=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353432	0	39	-2.0	-91.52	350.96	-3.50	-95.02
CN1N=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)[N-]C1=O	REAL300030353451	0	38	-2.0	-95.99	334.15	-2.57	-98.56
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=C[N-]N=CC1=O	REAL300030353565	0	37	-2.0	-81.65	321.42	-0.49	-82.14
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=CC=C2N=NN([O-])C2=C1	REAL300030353604	0	41	-2.0	-104.95	356.18	-0.17	-105.12
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=CC(=O)N[N-]1	REAL300030353702	0	36	-2.0	-88.87	316.84	-2.77	-91.64
C[PH](C)([O-])C(=O)C(=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353707	0	41	-2.0	-89.69	350.09	-1.32	-91.01
O=C(CCC1=NC(=O)NN1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353747	0	41	-2.0	-98.17	353.10	-2.98	-101.15
O=C(CCC1=NC(=O)[N-]N1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030353747	1	41	-2.0	-98.17	353.10	-2.98	-101.15
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=CC=CN([O-])C1=O	REAL300030353755	0	39	-2.0	-97.66	337.02	1.46	-96.20
CSC1=NC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C(=O)N1	REAL300030353774	0	41	-2.0	-87.98	363.33	-0.73	-88.71
CSC1=NC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C(=O)[N-]1	REAL300030353774	1	41	-2.0	-87.98	363.33	-0.73	-88.71
CC1SC(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)=NC1=O	REAL300030353798	0	38	-2.0	-92.81	343.76	-2.64	-95.45
CC1=C([O-])N=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)S1	REAL300030353798	1	38	-2.0	-92.81	343.76	-2.64	-95.45
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=CC(=O)C=C(Cl)N1	REAL300030353816	0	38	-2.0	-86.00	347.34	0.65	-85.35
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=CC(=O)C=C(Cl)[N-]1	REAL300030353816	1	38	-2.0	-86.00	347.34	0.65	-85.35
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=CC(=O)N([O-])C=C1	REAL300030353838	0	39	-2.0	-106.34	340.21	1.42	-104.92
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=CC=CC(=O)N1[O-]	REAL300030353897	0	39	-2.0	-125.60	337.25	2.41	-123.19
O=C(C[N-]C(=O)C(F)(F)F)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354065	0	38	-2.0	-89.82	347.29	-2.77	-92.59
NC1=NC([O-])=C(CC(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)S1	REAL300030354066	0	40	-2.0	-107.68	358.50	-3.61	-111.29
O=C(CC1=NC([O-])=CS1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354125	0	38	-2.0	-110.93	343.34	-2.86	-113.79
O=C(CN1N=CC(=O)[N-]C1=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354162	0	40	-2.0	-101.13	352.85	-4.28	-105.41
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=C(Cl)C(=O)[N-]S1	REAL300030354238	0	35	-2.0	-89.68	334.73	-1.34	-91.02
COCC1=NC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C(=O)N1	REAL300030354344	0	44	-2.0	-88.54	375.02	-2.02	-90.56
COCC1=NC=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C(=O)[N-]1	REAL300030354344	1	44	-2.0	-88.54	375.02	-2.02	-90.56
CC1=CC(=O)C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)=N[N-]1	REAL300030354443	0	40	-2.0	-94.93	345.59	1.01	-93.92
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=NNC(=O)[N-]1	REAL300030354462	0	35	-2.0	-92.77	311.67	-4.11	-96.88
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300030354487	0	40	-2.0	-87.13	354.18	0.28	-86.85
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030354487	1	40	-2.0	-87.13	354.18	0.28	-86.85
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=CN=C(C=N[O-])S1	REAL300030354622	0	38	-2.0	-99.69	352.25	-1.18	-100.87
CN1[N-]C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)=CC1=O	REAL300030354855	0	39	-2.0	-91.81	339.91	-0.94	-92.75
O=C(CSC1=NNC(=O)[N-]1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030354867	0	39	-2.0	-93.79	353.97	-2.91	-96.70
CC1=C(C(=O)N[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@H]2F)C(=S)[N-]C(=O)N1	REAL300030354868	1	41	-2.0	-110.68	367.24	-1.64	-112.32
O=C([N-][C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C(F)(F)C(F)F	REAL300030355001	0	34	-2.0	-86.24	310.66	-0.49	-86.73
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=NC(=O)[N-]C(=O)N1	REAL300030355081	0	37	-2.0	-89.03	330.29	-5.71	-94.74
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=NC(=O)NC(=O)[N-]1	REAL300030355081	1	37	-2.0	-85.35	330.96	-4.94	-90.29
O=C(COC1=NC(=O)[N-]C(=O)N1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030355153	0	41	-2.0	-94.56	363.88	-6.61	-101.17
O=C(COC1=NC(=O)NC(=O)[N-]1)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030355153	1	41	-2.0	-90.29	364.06	-6.46	-96.75
O=C(CN1[N-]C(=O)C=CC1=O)N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F	REAL300030355289	0	41	-2.0	-100.23	358.96	-2.08	-102.31
O=C(N[C@H]1CN(C(=O)C2=NC=CC=C2[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030355547	1	38	-2.0	-108.41	329.13	1.41	-107.00
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030355664	1	44	-2.0	-99.27	381.73	-0.27	-99.54
CC(=O)[N-]C1=NC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030355676	1	41	-2.0	-83.34	366.87	-0.43	-83.77
O=C(N[C@H]1CN(C(=O)C2=NNC(=O)[N-]C2=O)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030355707	0	37	-2.0	-95.22	332.88	-5.88	-101.10
COC1=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030355759	1	42	-2.0	-90.68	371.39	-4.72	-95.40
O=C(CN1C(=O)[N-]NC1=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030355925	0	39	-2.0	-100.93	345.72	-2.92	-103.85
O=C(CCCN1C(=O)[N-]NC1=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030356883	0	45	-2.0	-93.23	388.70	-1.69	-94.92
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030357913	0	43	-2.0	-95.54	375.97	-4.41	-99.95
O=C(N[C@H]1CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030357923	0	41	-2.0	-88.89	362.90	2.53	-86.36
O=C(N[C@H]1CN(C(=O)C2=CC(Cl)=CC=C2[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030357937	1	39	-2.0	-102.61	354.84	1.60	-101.01
N#CC1=CC([O-])=CC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030357968	1	40	-2.0	-92.83	357.78	1.07	-91.76
NC1=CC=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1Cl	REAL300030357993	0	41	-2.0	-102.36	365.58	-0.43	-102.79
O=C(N[C@H]1CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358055	0	41	-2.0	-113.13	362.36	3.15	-109.98
O=C(N[C@H]1CN(C(=O)C2=COC(=O)[N-]2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358109	1	35	-2.0	-85.99	312.12	-2.17	-88.16
O=C(N[C@H]1CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358186	0	41	-2.0	-108.21	367.86	1.63	-106.58
O=C(C[N-]C(=O)C(F)(F)F)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358204	0	38	-2.0	-91.10	350.22	-2.63	-93.73
NC1=NC([O-])=C(CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030358205	0	40	-2.0	-112.14	361.40	-3.42	-115.56
O=C(N[C@H]1CN(C(=O)C2=C(F)C=C([O-])C=C2F)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358216	0	39	-2.0	-87.80	353.75	0.98	-86.82
O=C(N[C@H]1CN(C(=O)C2=CC=C([O-])C=C2F)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358237	1	39	-2.0	-92.60	344.76	0.82	-91.78
O=C(N[C@H]1CN(C(=O)C2=CC([O-])=CC(=O)O2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358245	0	38	-2.0	-88.27	339.31	0.18	-88.09
N#CC1=CC=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300030358255	1	40	-2.0	-88.07	357.60	1.15	-86.92
O=C(N[C@H]1CN(C(=O)C2=CC(Cl)=NC=C2[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358259	0	38	-2.0	-98.52	348.32	0.10	-98.42
N#CC1=CC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C(N)[N-]C1=O	REAL300030358266	0	41	-2.0	-88.14	368.40	-2.21	-90.35
O=C(CN1N=CC(=O)[N-]C1=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358283	0	40	-2.0	-104.57	356.08	-4.04	-108.61
CC1=CC=C([O-])C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030358365	1	41	-2.0	-109.18	350.74	1.96	-107.22
O=C(N[C@H]1CN(C(=O)C2=C[N-]N=CC2=O)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358391	0	37	-2.0	-90.83	330.22	-0.76	-91.59
O=C(N[C@H]1CN(C(=O)C2=CC=CC(F)=C2[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358404	0	39	-2.0	-112.37	342.63	1.67	-110.70
O=C(N[C@H]1CN(C(=O)C2=CC=CC([O-])=C2F)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358526	1	39	-2.0	-106.20	342.84	0.78	-105.42
O=C(N[C@H]1CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358605	0	41	-2.0	-88.92	362.87	2.50	-86.42
O=C(N[C@H]1CN(C(=O)C2=CC(=O)N[N-]2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358670	0	36	-2.0	-89.01	316.79	-2.24	-91.25
C[PH](C)([O-])C(=O)C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030358678	0	41	-2.0	-89.55	350.18	-1.40	-90.95
COCC1=NC=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030358742	0	44	-2.0	-100.08	384.00	-2.19	-102.27
COCC1=NC=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030358742	1	44	-2.0	-100.08	384.00	-2.19	-102.27
O=C(N[C@H]1CN(C(=O)C2=CC(=O)N([O-])C=C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358801	0	39	-2.0	-110.93	347.49	1.42	-109.51
O=C(N[C@H]1CN(C(=O)C2=NNC(=O)[N-]2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358836	0	35	-2.0	-93.21	311.33	-3.73	-96.94
O=C(N[C@H]1CN(C(=O)C2=C(O)C=CC=C2Cl)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358841	0	39	-2.0	-100.24	356.78	1.36	-98.88
O=C(N[C@H]1CN(C(=O)C2=C([O-])C=CC=C2Cl)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358841	1	39	-2.0	-100.24	356.78	1.36	-98.88
O=C(N[C@H]1CN(C(=O)C2=CC=CN([O-])C2=O)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358849	0	39	-2.0	-118.20	346.59	1.40	-116.80
O=C(N[C@H]1CN(C(=O)C2=C(F)C=CC([O-])=C2F)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030358883	1	39	-2.0	-95.78	353.68	0.95	-94.83
NC1=CC(=O)[N-]C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030358997	0	39	-2.0	-99.61	341.46	-2.68	-102.29
O=C(N[C@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030359066	0	39	-2.0	-90.48	352.91	1.27	-89.21
O=C(N[C@H]1CN(C(=O)C2=CC(F)=CC=C2[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030359073	1	39	-2.0	-101.85	344.52	1.15	-100.70
CC1=CC=NC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300030359163	1	41	-2.0	-108.28	351.99	1.54	-106.74
O=C(N[C@H]1CN(C(=O)C2=CN=CC([O-])=C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030359332	1	38	-2.0	-95.73	330.85	-1.21	-96.94
O=C(N[C@H]1CN(C(=O)C2=CC=CC(=S)N2[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030359345	0	39	-2.0	-117.34	358.24	1.83	-115.51
NC1=CC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC([O-])=C1Cl	REAL300030359499	1	41	-2.0	-90.34	366.27	-0.78	-91.12
O=C(N[C@H]1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030359504	0	38	-2.0	-83.88	347.52	0.25	-83.63
O=C(N[C@H]1CN(C(=O)C2=CC=C([O-])C=C2Cl)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030359566	1	39	-2.0	-91.06	353.38	1.26	-89.80
N#CC1=CC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C([O-])C=C1N	REAL300030359569	0	42	-2.0	-97.88	370.79	-0.63	-98.51
O=C(CC1=NC([O-])=CS1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359581	0	38	-2.0	-113.73	346.61	-2.56	-116.29
O=C(N[C@H]1CN(C(=O)C2=C([O-])C=CC=C2F)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030359602	0	39	-2.0	-101.56	347.29	0.98	-100.58
O=C(CN1[N-]C(=O)C=CC1=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359605	0	41	-2.0	-101.93	361.81	-1.95	-103.88
O=C(N[C@H]1CN(C(=O)C2=CC=C(F)C=C2[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030359607	0	39	-2.0	-104.75	344.50	1.15	-103.60
CC1=CC=C(F)C([O-])=C1C(=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359654	0	42	-2.0	-106.61	366.68	1.55	-105.06
O=C(CC1SC(=O)[N-]C1=O)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359742	0	39	-2.0	-85.73	354.72	-3.29	-89.02
O=C(N[C@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2F)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030359774	0	39	-2.0	-100.70	349.77	0.85	-99.85
O=C(N[C@H]1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030359777	1	40	-2.0	-89.51	355.71	-0.74	-90.25
O=C(N[C@H]1CN(C(=O)C2=CC=CC(Cl)=C2[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030359783	0	39	-2.0	-106.86	352.57	2.10	-104.76
CC1=CC(=O)C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030359819	0	40	-2.0	-96.56	350.03	-0.01	-96.57
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359825	0	44	-2.0	-113.83	377.41	1.13	-112.70
O=C(N[C@H]1CN(C(=O)C2=CC=CC(=O)N2[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030359855	0	39	-2.0	-114.65	347.13	1.19	-113.46
N#CC1=CC=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030359897	0	39	-2.0	-94.69	348.58	-1.02	-95.71
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359898	0	41	-2.0	-94.32	366.98	-6.30	-100.62
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030359898	1	41	-2.0	-90.61	366.88	-6.24	-96.85
O=C(N[C@H]1CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030359927	0	41	-2.0	-89.06	362.48	2.22	-86.84
CN1N=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030359971	0	38	-2.0	-96.86	334.53	-2.07	-98.93
[N-]=[N+]=NC1=CC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC=C1[O-]	REAL300030360004	0	41	-2.0	-90.04	365.37	-1.44	-91.48
O=C(N[C@H]1CN(C(=O)C2=C(F)C=CC(O)=C2O)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360046	0	40	-2.0	-102.77	358.05	-0.95	-103.72
O=C(N[C@H]1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360046	1	40	-2.0	-102.77	358.05	-0.95	-103.72
N#CC1=CC=C([O-])C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030360056	0	40	-2.0	-99.04	358.94	1.51	-97.53
O=C(N[C@H]1CN(C(=O)C2=CN([O-])C(=O)NC2=O)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360181	0	39	-2.0	-91.25	346.15	-1.30	-92.55
O=C(N[C@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360246	1	39	-2.0	-102.31	343.14	0.75	-101.56
O=C(N[C@H]1CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360257	0	41	-2.0	-101.12	366.26	1.75	-99.37
O=C(N[C@H]1CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360260	0	41	-2.0	-95.43	362.24	2.60	-92.83
O=C(N[C@H]1CN(C(=O)C2=CC=C(Cl)C=C2[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360273	1	39	-2.0	-104.72	354.82	1.58	-103.14
O=C(N[C@H]1CN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360294	0	41	-2.0	-84.86	365.75	1.39	-83.47
O=C(N[C@H]1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360371	0	37	-2.0	-86.62	330.31	-4.66	-91.28
O=C(N[C@H]1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360371	1	37	-2.0	-84.68	331.12	-3.96	-88.64
O=C(N[C@H]1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360405	0	41	-2.0	-92.12	359.85	-0.22	-92.34
O=C(N[C@H]1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360446	0	35	-2.0	-90.29	335.77	-1.53	-91.82
CC1=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300030360500	0	42	-2.0	-92.36	375.91	-0.44	-92.80
O=C(N[C@H]1CN(C(=O)C2=CC=C(F)C([O-])=C2F)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360520	0	39	-2.0	-106.29	347.20	0.80	-105.49
O=C(N[C@H]1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360580	1	40	-2.0	-99.57	361.59	0.35	-99.22
COC1=NC(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030360586	0	41	-2.0	-93.77	359.65	-3.84	-97.61
O=C(N[C@H]1CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360588	0	41	-2.0	-98.90	360.91	-0.64	-99.54
O=C(N[C@H]1CN(C(=O)C2=NC=CC(Cl)=C2[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360601	0	38	-2.0	-97.54	347.90	1.39	-96.15
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030360607	1	42	-2.0	-105.91	377.72	2.27	-103.64
O=C(N[C@H]1CN(C(=O)C2=CC=C(Cl)C([O-])=C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360648	0	39	-2.0	-88.39	352.90	1.25	-87.14
O=C(N[C@H]1CN(C(=O)C2=CC=NC=C2[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360659	0	38	-2.0	-104.23	333.23	-0.83	-105.06
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360669	0	35	-2.0	-91.91	311.92	-2.17	-94.08
CC1=C([O-])N=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030360703	1	38	-2.0	-110.44	343.47	-1.43	-111.87
O=C(N[C@H]1CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360751	1	45	-2.0	-107.78	386.15	3.12	-104.66
O=C(N[C@H]1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360770	1	45	-2.0	-112.37	381.83	3.88	-108.49
O=C(N[C@H]1CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360778	1	45	-2.0	-114.55	382.70	3.86	-110.69
O=C(N[C@H]1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360825	1	41	-2.0	-90.37	363.48	0.73	-89.64
O=C(N[C@H]1CN(C(=O)C2=CN=C(C=N[O-])S2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360859	0	38	-2.0	-100.14	353.25	-1.22	-101.36
O=C(N[C@H]1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360892	1	38	-2.0	-86.64	349.11	1.12	-85.52
CSC1=NC=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030360917	1	41	-2.0	-100.92	372.38	-0.92	-101.84
O=C(N[C@H]1CN(C(=O)C2=CC(=O)NC([O-])=C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030360924	0	39	-2.0	-87.39	347.05	-3.50	-90.89
CCN1[N-]C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030361004	0	42	-2.0	-92.90	361.34	0.39	-92.51
CN1[N-]C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030361026	0	39	-2.0	-92.36	339.74	-0.52	-92.88
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030361043	0	39	-2.0	-94.13	357.03	-2.58	-96.71
CC1=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300030361045	1	41	-2.0	-106.40	369.41	-1.47	-107.87
O=C(CC1=CC(=O)N[N-]1)N1CC[C@@H](F)[C@@H](NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030361218	1	39	-2.0	-103.44	340.71	-1.84	-105.28
O=C(N[C@H]1CN(C(=O)C2=CC=C([O-])C(F)=C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030361224	1	39	-2.0	-91.72	343.10	0.80	-90.92
O=C(N[C@H]1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030361285	0	39	-2.0	-92.18	349.96	0.88	-91.30
O=C(N[C@H]1CN(C(=O)C2=CC=NC(Cl)=C2[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030361291	0	38	-2.0	-103.37	347.62	0.13	-103.24
CC1=C(CC(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300030361311	0	45	-2.0	-105.54	384.33	0.60	-104.94
CC1=CN=C(C(=O)N2CC[C@@H](F)[C@@H](NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030361359	1	41	-2.0	-109.85	350.59	2.04	-107.81
O=C(N[C@H]1CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030361373	0	40	-2.0	-98.86	367.70	-1.31	-100.17
O=C(N[C@H]1CN(C(=O)C2=CC([O-])=CS2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030361393	0	36	-2.0	-100.01	326.43	-0.41	-100.42
O=C(N[C@H]1CN(C(=O)C2=CN([O-])C(=O)C=C2)CC[C@H]1F)C1=CC(=O)[N-]O1	REAL300030361415	0	39	-2.0	-111.52	347.03	1.40	-110.12
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=CN([O-])C(=O)NC1=O	REAL300030361467	0	39	-2.0	-89.01	342.28	-1.06	-90.07
O=C(N[C@H]1CN(C(=O)C2=CC(=O)[N-]O2)CC[C@H]1F)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030361501	1	40	-2.0	-80.35	353.31	-0.44	-80.79
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NNC(=O)[N-]C1=O	REAL300030362275	0	42	-2.0	-89.72	348.72	-4.24	-93.96
O=C(CN1C(=O)[N-]NC1=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362320	0	44	-2.0	-91.58	362.84	-2.57	-94.15
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)C=C1	REAL300030362651	0	44	-2.0	-105.76	359.50	1.80	-103.96
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)NC([O-])=C1	REAL300030362720	0	44	-2.0	-85.36	360.27	-3.00	-88.36
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=COC(=O)[N-]1	REAL300030362731	1	40	-2.0	-86.77	332.34	-3.15	-89.92
CCN1[N-]C(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030362838	0	47	-2.0	-88.56	381.71	0.48	-88.08
O=C(CC1=CC(=O)N[N-]1)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362844	1	44	-2.0	-94.71	357.83	-1.54	-96.25
CN1N=C(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300030362864	0	43	-2.0	-91.44	354.48	-1.96	-93.40
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]N=CC1=O	REAL300030362915	0	42	-2.0	-81.24	341.08	-0.13	-81.37
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N[N-]1	REAL300030362978	0	41	-2.0	-85.38	337.17	-2.16	-87.54
C[PH](C)([O-])C(=O)C(=O)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030362982	0	46	-2.0	-84.78	375.39	-0.97	-85.75
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CN([O-])C1=O	REAL300030363005	0	44	-2.0	-100.56	357.22	2.01	-98.55
CC1SC(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300030363025	0	43	-2.0	-93.59	363.71	-2.04	-95.63
CC1=C([O-])N=C(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030363025	1	43	-2.0	-93.59	363.71	-2.04	-95.63
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N([O-])C=C1	REAL300030363037	0	44	-2.0	-102.88	360.18	1.90	-100.98
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=O)N1[O-]	REAL300030363058	0	44	-2.0	-114.90	357.25	2.91	-111.99
O=C(CC1=NC([O-])=CS1)NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030363155	0	43	-2.0	-106.00	363.68	-2.26	-108.26
CC1=CC(=O)C(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300030363292	0	45	-2.0	-89.29	364.93	1.59	-87.70
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)N[N-]1	REAL300030363300	0	40	-2.0	-90.19	331.05	-3.37	-93.56
CN1[N-]C(C(=O)NC2C3COCC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030363458	0	44	-2.0	-87.77	359.90	-0.45	-88.22
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)[N-]C(=O)N1	REAL300030363538	0	42	-2.0	-89.93	350.29	-5.22	-95.15
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)NC(=O)[N-]1	REAL300030363538	1	42	-2.0	-83.01	350.94	-4.44	-87.45
O=C(NC1C2COCC1CN(C(=O)C1=NC=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030363876	1	43	-2.0	-99.12	349.17	1.91	-97.21
O=C(NC1C2COCC1CN(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030363975	0	42	-2.0	-93.06	352.84	-5.39	-98.45
O=C(CN1C(=O)[N-]NC1=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030364070	0	44	-2.0	-94.24	365.01	-2.35	-96.59
N#CC1=CC([O-])=CC(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030364927	1	45	-2.0	-90.47	377.85	1.57	-88.90
O=C(NC1C2COCC1CN(C(=O)C1=COC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030364995	1	40	-2.0	-87.85	331.78	-1.65	-89.50
O=C(NC1C2COCC1CN(C(=O)C1=CC=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300030365065	1	44	-2.0	-90.67	363.70	1.30	-89.37
O=C(NC1C2COCC1CN(C(=O)C1=CC([O-])=CC(=O)O1)C2)C1=CC(=O)[N-]O1	REAL300030365069	0	43	-2.0	-86.51	359.30	0.66	-85.85
N#CC1=CC=C(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300030365072	1	45	-2.0	-94.90	377.16	1.64	-93.26
CC1=CC=C([O-])C(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030365125	1	46	-2.0	-101.41	370.74	2.47	-98.94
O=C(CCC1=NC(=O)[N-]N1)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365126	1	46	-2.0	-98.15	375.24	-2.23	-100.38
O=C(NC1C2COCC1CN(C(=O)C1=C[N-]N=CC1=O)C2)C1=CC(=O)[N-]O1	REAL300030365136	0	42	-2.0	-87.13	350.33	-0.27	-87.40
O=C(NC1C2COCC1CN(C(=O)C1=CC=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030365143	0	44	-2.0	-104.44	364.33	1.66	-102.78
O=C(NC1C2COCC1CN(C(=O)C1=CC=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030365208	1	44	-2.0	-102.24	364.61	1.32	-100.92
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030365280	0	41	-2.0	-85.91	336.98	-1.75	-87.66
C[PH](C)([O-])C(=O)C(=O)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365285	0	46	-2.0	-89.62	369.76	-0.72	-90.34
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300030365339	0	44	-2.0	-99.72	367.55	1.92	-97.80
O=C(NC1C2COCC1CN(C(=O)C1=NC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030365356	0	40	-2.0	-88.02	331.78	-2.37	-90.39
O=C(NC1C2COCC1CN(C(=O)C1=CC=CN([O-])C1=O)C2)C1=CC(=O)[N-]O1	REAL300030365361	0	44	-2.0	-102.24	359.42	1.64	-100.60
O=C(NC1C2COCC1CN(C(=O)C1=CC(F)=CC=C1O)C2)C1=CC(=O)[N-]O1	REAL300030365474	0	44	-2.0	-95.88	364.52	1.63	-94.25
O=C(NC1C2COCC1CN(C(=O)C1=CC(F)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030365474	1	44	-2.0	-95.88	364.52	1.63	-94.25
CC1=CC=NC(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)=C1O	REAL300030365517	0	46	-2.0	-100.88	372.07	2.05	-98.83
CC1=CC=NC(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300030365517	1	46	-2.0	-100.88	372.07	2.05	-98.83
O=C(NC1C2COCC1CN(C(=O)C1=CN=CC(O)=C1)C2)C1=CC(=O)[N-]O1	REAL300030365577	0	43	-2.0	-85.92	352.44	-0.55	-86.47
O=C(NC1C2COCC1CN(C(=O)C1=CN=CC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030365577	1	43	-2.0	-85.92	352.44	-0.55	-86.47
O=C(CC1=NC([O-])=CS1)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030365673	0	43	-2.0	-105.57	365.84	-1.99	-107.56
CC1=CC(=O)C(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030365782	0	45	-2.0	-91.43	369.96	0.51	-90.92
O=C(NC1C2COCC1CN(C(=O)C1=CC=CC(=O)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300030365797	0	44	-2.0	-101.82	359.17	2.01	-99.81
N#CC1=CC=C(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030365816	0	44	-2.0	-91.72	376.32	-0.41	-92.13
CN1N=C(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030365844	0	43	-2.0	-95.41	353.77	-1.49	-96.90
N#CC1=CC=C(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030365877	0	45	-2.0	-96.24	378.90	2.01	-94.23
N#CC1=CC=C([O-])C(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030365883	0	45	-2.0	-92.89	378.95	2.01	-90.88
O=C(NC1C2COCC1CN(C(=O)C1=CC=C(F)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030365975	1	44	-2.0	-99.17	362.35	1.24	-97.93
O=C(NC1C2COCC1CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2)C1=CC(=O)[N-]O1	REAL300030366027	0	42	-2.0	-87.13	350.24	-3.42	-90.55
O=C(NC1C2COCC1CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030366027	1	42	-2.0	-87.13	350.24	-3.42	-90.55
NC1=NC=C(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030366063	0	44	-2.0	-90.95	361.08	-1.66	-92.61
NC1=NC=C(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030366063	1	44	-2.0	-90.95	361.08	-1.66	-92.61
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)[N-]O1	REAL300030366154	0	40	-2.0	-92.62	331.60	-1.80	-94.42
CC1SC(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030366171	0	43	-2.0	-89.24	363.45	-0.93	-90.17
CC1=C([O-])N=C(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)S1	REAL300030366171	1	43	-2.0	-89.24	363.45	-0.93	-90.17
O=C(NC1C2COCC1CN(C(=O)C1=CC(=O)NC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030366273	0	44	-2.0	-86.90	367.65	-3.00	-89.90
CCN1[N-]C(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030366315	0	47	-2.0	-89.35	381.53	0.91	-88.44
CN1[N-]C(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030366331	0	44	-2.0	-89.77	359.46	-0.05	-89.82
O=C(CC1=CC(=O)NN1)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366417	0	44	-2.0	-98.18	360.17	-1.28	-99.46
O=C(CC1=CC(=O)N[N-]1)N1CC2COCC(C1)C2NC(=O)C1=CC(=O)[N-]O1	REAL300030366417	1	44	-2.0	-98.18	360.17	-1.28	-99.46
O=C(NC1C2COCC1CN(C(=O)C1=CC=C(O)C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300030366421	0	44	-2.0	-92.10	363.76	1.31	-90.79
O=C(NC1C2COCC1CN(C(=O)C1=CC=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300030366421	1	44	-2.0	-92.10	363.76	1.31	-90.79
CC1=CN=C(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C(O)=C1	REAL300030366484	0	46	-2.0	-103.59	372.48	2.06	-101.53
CC1=CN=C(C(=O)N2CC3COCC(C2)C3NC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030366484	1	46	-2.0	-103.59	372.48	2.06	-101.53
O=C(NC1C2COCC1CN(C(=O)C1=CC([O-])=CS1)C2)C1=CC(=O)[N-]O1	REAL300030366497	0	41	-2.0	-97.56	347.30	0.15	-97.41
O=C(NC1C2COCC1CN(C(=O)C1=CN([O-])C(=O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300030366509	0	44	-2.0	-96.72	367.09	1.87	-94.85
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NNC(=O)[N-]C1=O	REAL300030367696	0	40	-2.0	-90.72	347.65	-4.08	-94.80
O=C(CN1C(=O)[N-]NC1=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030367780	0	42	-2.0	-92.53	361.77	-2.42	-94.95
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN([O-])C(=O)C=C1	REAL300030368366	0	42	-2.0	-102.23	358.73	2.06	-100.17
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)NC([O-])=C1	REAL300030368480	0	42	-2.0	-86.78	359.20	-2.86	-89.64
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COC(=O)[N-]1	REAL300030368491	1	38	-2.0	-89.12	331.27	-3.02	-92.14
O=C([N-]CC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(F)(F)C(F)(F)F	REAL300030368580	0	37	-2.0	-81.32	339.25	0.54	-80.78
CCN1[N-]C(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030368660	0	45	-2.0	-90.32	380.64	0.62	-89.70
O=C(CC1=CC(=O)N[N-]1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368667	1	42	-2.0	-94.32	357.28	-1.29	-95.61
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC(=S)N1[O-]	REAL300030368682	0	42	-2.0	-117.82	367.62	4.19	-113.63
CN1N=C(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300030368706	0	41	-2.0	-92.97	353.34	-1.80	-94.77
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=C[N-]N=CC1=O	REAL300030368794	0	40	-2.0	-81.58	340.32	0.15	-81.43
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N[N-]1	REAL300030368889	0	39	-2.0	-87.08	336.09	-2.03	-89.11
C[PH](C)([O-])C(=O)C(=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368894	0	44	-2.0	-84.05	369.32	-0.69	-84.74
CN1[N-]C(CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030368897	0	45	-2.0	-96.73	380.11	0.43	-96.30
O=C(CCC1=NC(=O)[N-]N1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030368920	1	44	-2.0	-98.11	372.54	-2.25	-100.36
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CN([O-])C1=O	REAL300030368924	0	42	-2.0	-102.56	356.62	2.31	-100.25
CC1=C([O-])N=C(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030368952	1	41	-2.0	-96.19	362.64	-1.89	-98.08
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)C=C(Cl)[N-]1	REAL300030368965	1	41	-2.0	-83.90	366.25	1.27	-82.63
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N([O-])C=C1	REAL300030368982	0	42	-2.0	-103.10	359.10	2.04	-101.06
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC(=O)N1[O-]	REAL300030369015	0	42	-2.0	-114.89	356.50	3.15	-111.74
O=C(C[N-]C(=O)C(F)(F)F)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369135	0	41	-2.0	-86.08	366.22	-2.13	-88.21
NC1=NC([O-])=C(CC(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030369136	0	43	-2.0	-105.56	377.94	-2.87	-108.43
O=C(CC1=NC([O-])=CS1)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369180	0	41	-2.0	-105.52	363.12	-2.01	-107.53
O=C(CN1N=CC(=O)[N-]C1=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369207	0	43	-2.0	-96.46	372.62	-3.44	-99.90
CC1=CC(=O)C(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300030369409	0	43	-2.0	-90.76	364.81	1.79	-88.97
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NNC(=O)[N-]1	REAL300030369424	0	38	-2.0	-90.33	330.59	-3.47	-93.80
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=C(C=N[O-])S1	REAL300030369532	0	41	-2.0	-98.85	371.47	-0.44	-99.29
COC1=NC(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC(=O)[N-]1	REAL300030369545	0	44	-2.0	-90.66	376.82	-4.00	-94.66
CN1[N-]C(C(=O)NCC2(F)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030369688	0	42	-2.0	-89.54	358.91	-0.31	-89.85
O=C([N-]CC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(F)(F)C(F)F	REAL300030369781	1	37	-2.0	-83.06	334.25	0.40	-82.66
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)[N-]C(=O)N1	REAL300030369840	0	40	-2.0	-91.80	349.22	-5.07	-96.87
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)NC(=O)[N-]1	REAL300030369840	1	40	-2.0	-84.93	349.87	-4.32	-89.25
O=C(CN1[N-]C(=O)C=CC1=O)NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030369978	0	44	-2.0	-92.33	378.39	-1.34	-93.67
O=C(NCC1(F)CCN(C(=O)C2=NC=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030370230	1	41	-2.0	-97.12	348.28	2.14	-94.98
O=C(NCC1(F)CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1)C1=CC(=O)[N-]O1	REAL300030370351	0	40	-2.0	-90.46	347.89	-3.69	-94.15
O=C(CN1C(=O)[N-]NC1=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030370510	0	42	-2.0	-92.94	365.17	-2.18	-95.12
O=C(NCC1(F)CCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030371816	1	42	-2.0	-94.69	372.39	2.80	-91.89
N#CC1=CC([O-])=CC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030371841	1	43	-2.0	-87.94	376.93	1.81	-86.13
O=C(NCC1(F)CCN(C(=O)C2=COC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030371940	1	38	-2.0	-87.79	331.28	-1.43	-89.22
O=C(C[N-]C(=O)C(F)(F)F)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372006	0	41	-2.0	-85.74	369.33	-1.91	-87.65
NC1=NC([O-])=C(CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030372007	0	43	-2.0	-104.22	380.84	-2.68	-106.90
O=C(NCC1(F)CCN(C(=O)C2=C(F)C=C([O-])C=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030372016	0	42	-2.0	-85.77	373.22	1.71	-84.06
O=C(NCC1(F)CCN(C(=O)C2=CC=C([O-])C=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030372029	1	42	-2.0	-90.11	363.89	1.56	-88.55
O=C(NCC1(F)CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1)C1=CC(=O)[N-]O1	REAL300030372035	0	41	-2.0	-89.21	358.61	0.92	-88.29
N#CC1=CC=C(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C=C1[O-]	REAL300030372041	1	43	-2.0	-89.58	375.52	1.84	-87.74
O=C(NCC1(F)CCN(C(=O)C2=CC(Cl)=NC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030372044	0	41	-2.0	-90.21	368.12	0.25	-89.96
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372060	0	43	-2.0	-95.34	375.52	-3.31	-98.65
CC1=CC=C([O-])C(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300030372120	1	44	-2.0	-99.78	372.48	2.16	-97.62
O=C(CCC1=NC(=O)[N-]N1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372122	1	44	-2.0	-98.06	375.15	-2.07	-100.13
O=C(NCC1(F)CCN(C(=O)C2=C[N-]N=CC2=O)CC1)C1=CC(=O)[N-]O1	REAL300030372138	0	40	-2.0	-84.01	349.89	0.03	-83.98
O=C(NCC1(F)CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030372147	0	42	-2.0	-100.94	362.40	1.79	-99.15
O=C(NCC1(F)CCN(C(=O)C2=CC=CC([O-])=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030372233	1	42	-2.0	-99.16	362.68	1.52	-97.64
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030372331	0	39	-2.0	-84.69	336.13	-1.49	-86.18
C[PH](C)([O-])C(=O)C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372337	0	44	-2.0	-85.25	375.55	-0.56	-85.81
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030372423	0	42	-2.0	-102.37	361.07	1.94	-100.43
O=C(NCC1(F)CCN(C(=O)C2=NC(=O)N[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030372447	0	38	-2.0	-83.08	330.70	-2.13	-85.21
O=C(NCC1(F)CCN(C(=O)C2=C(O)C=CC=C2Cl)CC1)C1=CC(=O)[N-]O1	REAL300030372449	0	42	-2.0	-92.48	375.87	2.08	-90.40
O=C(NCC1(F)CCN(C(=O)C2=C([O-])C=CC=C2Cl)CC1)C1=CC(=O)[N-]O1	REAL300030372449	1	42	-2.0	-92.48	375.87	2.08	-90.40
O=C(NCC1(F)CCN(C(=O)C2=CC=CN([O-])C2=O)CC1)C1=CC(=O)[N-]O1	REAL300030372453	0	42	-2.0	-103.99	358.54	1.88	-102.11
O=C(NCC1(F)CCN(C(=O)C2=C(F)C=CC(O)=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030372482	0	42	-2.0	-92.13	373.05	1.68	-90.45
O=C(NCC1(F)CCN(C(=O)C2=C(F)C=CC([O-])=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030372482	1	42	-2.0	-92.13	373.05	1.68	-90.45
O=C(NCC1(F)CCN(C(=O)C2=CC(F)=CC=C2O)CC1)C1=CC(=O)[N-]O1	REAL300030372617	0	42	-2.0	-94.13	362.04	2.37	-91.76
O=C(NCC1(F)CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030372617	1	42	-2.0	-94.13	362.04	2.37	-91.76
CC1=CC=NC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)=C1O	REAL300030372680	0	44	-2.0	-98.90	368.60	2.81	-96.09
CC1=CC=NC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)=C1[O-]	REAL300030372680	1	44	-2.0	-98.90	368.60	2.81	-96.09
O=C(NCC1(F)CCN(C(=O)C2=CN=CC(O)=C2)CC1)C1=CC(=O)[N-]O1	REAL300030372784	0	41	-2.0	-90.51	349.86	-0.49	-91.00
O=C(NCC1(F)CCN(C(=O)C2=CN=CC([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300030372784	1	41	-2.0	-90.51	349.86	-0.49	-91.00
O=C(NCC1(F)CCN(C(=O)C2=CC=CC(=S)N2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030372794	0	42	-2.0	-107.73	369.59	2.88	-104.85
O=C(NCC1(F)CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC1)C1=CC(=O)[N-]O1	REAL300030372898	0	41	-2.0	-84.45	366.67	0.98	-83.47
O=C(NCC1(F)CCN(C(=O)C2=CC=C([O-])C=C2Cl)CC1)C1=CC(=O)[N-]O1	REAL300030372935	1	42	-2.0	-89.30	372.51	1.99	-87.31
O=C(CC1=NC([O-])=CS1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372946	0	41	-2.0	-106.26	366.01	-1.82	-108.08
O=C(NCC1(F)CCN(C(=O)C2=C([O-])C=CC=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030372961	0	42	-2.0	-93.51	366.38	1.71	-91.80
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372963	0	44	-2.0	-92.39	381.29	-1.20	-93.59
O=C(NCC1(F)CCN(C(=O)C2=CC=C(F)C=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030372964	0	42	-2.0	-95.56	363.63	1.90	-93.66
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030372994	0	45	-2.0	-98.94	386.12	2.26	-96.68
O=C(NCC1(F)CCN(C(=O)C2=CC=C([O-])C(F)=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030373080	0	42	-2.0	-90.13	368.60	1.59	-88.54
O=C(NCC1(F)CCN(C(=O)C2=CC=CC(Cl)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030373086	0	42	-2.0	-95.88	372.21	2.29	-93.59
CC1=CC(=O)C(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300030373114	0	43	-2.0	-89.42	365.04	2.20	-87.22
O=C(NCC1(F)CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030373139	0	42	-2.0	-103.67	358.49	2.23	-101.44
N#CC1=CC=C(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300030373163	0	42	-2.0	-84.74	367.87	-0.30	-85.04
CN1N=C(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300030373207	0	41	-2.0	-92.20	353.60	-1.33	-93.53
O=C(NCC1(F)CCN(C(=O)C2=C(F)C=CC(O)=C2O)CC1)C1=CC(=O)[N-]O1	REAL300030373254	0	43	-2.0	-94.41	377.43	-0.22	-94.63
O=C(NCC1(F)CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030373254	1	43	-2.0	-94.41	377.43	-0.22	-94.63
N#CC1=CC=C([O-])C(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030373263	0	43	-2.0	-91.50	376.35	2.76	-88.74
O=C(NCC1(F)CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1)C1=CC(=O)[N-]O1	REAL300030373345	0	42	-2.0	-90.98	371.10	-0.47	-91.45
O=C(NCC1(F)CCN(C(=O)C2=CC=C(F)C(O)=C2)CC1)C1=CC(=O)[N-]O1	REAL300030373396	0	42	-2.0	-96.84	361.40	1.46	-95.38
O=C(NCC1(F)CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300030373396	1	42	-2.0	-96.84	361.40	1.46	-95.38
O=C(NCC1(F)CCN(C(=O)C2=CC=C(Cl)C=C2O)CC1)C1=CC(=O)[N-]O1	REAL300030373414	0	42	-2.0	-95.34	373.95	2.35	-92.99
O=C(NCC1(F)CCN(C(=O)C2=CC=C(Cl)C=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030373414	1	42	-2.0	-95.34	373.95	2.35	-92.99
O=C(NCC1(F)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL300030373479	0	40	-2.0	-90.63	349.45	-3.92	-94.55
O=C(NCC1(F)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030373479	1	40	-2.0	-83.59	350.02	-3.17	-86.76
O=C(NCC1(F)CCN(C(=O)C2=CC=C(F)C([O-])=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030373566	0	42	-2.0	-99.59	366.35	1.52	-98.07
COC1=NC(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)=CC(=O)[N-]1	REAL300030373608	0	44	-2.0	-89.20	374.78	-2.95	-92.15
O=C(NCC1(F)CCN(C(=O)C2=NC=CC(Cl)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030373617	0	41	-2.0	-95.24	364.48	2.64	-92.60
O=C(NCC1(F)CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300030373655	0	42	-2.0	-92.75	371.20	1.93	-90.82
O=C(NCC1(F)CCN(C(=O)C2=CC=NC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030373663	0	41	-2.0	-95.58	352.41	-0.12	-95.70
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)[N-]O1	REAL300030373669	0	38	-2.0	-91.51	330.84	-1.54	-93.05
CC1=C([O-])N=C(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030373691	1	41	-2.0	-94.73	362.68	-0.73	-95.46
O=C(NCC1(F)CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030373782	1	44	-2.0	-90.27	382.64	1.48	-88.79
O=C(NCC1(F)CCN(C(=O)C2=CN=C(C=N[O-])S2)CC1)C1=CC(=O)[N-]O1	REAL300030373799	0	41	-2.0	-100.22	371.52	-0.52	-100.74
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030373819	1	41	-2.0	-81.91	368.30	1.89	-80.02
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300030373839	0	42	-2.0	-85.98	361.77	-2.95	-88.93
CCN1[N-]C(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030373895	0	45	-2.0	-88.89	380.68	1.16	-87.73
CN1[N-]C(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030373913	0	42	-2.0	-88.07	358.72	0.18	-87.89
O=C(CC1=CC(=O)N[N-]1)N1CCC(F)(CNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030374044	1	42	-2.0	-95.63	360.16	-1.10	-96.73
O=C(NCC1(F)CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1)C1=CC(=O)[N-]O1	REAL300030374049	1	42	-2.0	-92.06	361.37	1.49	-90.57
O=C(NCC1(F)CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC1)C1=CC(=O)[N-]O1	REAL300030374092	0	42	-2.0	-89.21	368.46	1.60	-87.61
O=C(NCC1(F)CCN(C(=O)C2=CC=NC(Cl)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030374097	0	41	-2.0	-93.88	368.56	0.36	-93.52
CC1=C(CC(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N(C)[N-]1	REAL300030374112	0	48	-2.0	-97.37	403.03	1.30	-96.07
CC1=CN=C(C(=O)N2CCC(F)(CNC(=O)C3=CC(=O)[N-]O3)CC2)C([O-])=C1	REAL300030374147	1	44	-2.0	-98.28	369.73	2.78	-95.50
O=C(NCC1(F)CCN(C(=O)C2=CC([O-])=CS2)CC1)C1=CC(=O)[N-]O1	REAL300030374167	0	39	-2.0	-95.13	345.52	0.32	-94.81
O=C(NCC1(F)CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030374183	0	42	-2.0	-101.69	360.98	1.94	-99.75
O=C(NCC1(F)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN([O-])C(=O)NC1=O	REAL300030374210	0	42	-2.0	-87.99	361.87	-0.22	-88.21
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1)C1=COC(=O)[N-]1	REAL300030375044	1	45	-2.0	-87.21	365.21	-0.95	-88.16
O=C(CC1=CC(=O)N[N-]1)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030375126	1	49	-2.0	-98.22	390.70	0.68	-97.54
CN1N=C(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC3C2)[N-]C1=O	REAL300030375136	0	48	-2.0	-92.39	387.36	0.23	-92.16
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1)C1=C[N-]N=CC1=O	REAL300030375169	0	47	-2.0	-79.38	374.26	2.20	-77.18
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1)C1=CC(=O)N[N-]1	REAL300030375205	0	46	-2.0	-86.23	370.03	0.03	-86.20
C[PH](C)([O-])C(=O)C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030375209	0	51	-2.0	-85.73	407.16	0.85	-84.88
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1)C1=NC(=O)N[N-]1	REAL300030375399	0	45	-2.0	-86.96	364.63	-1.26	-88.22
CN1[N-]C(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CCC3C2)=CC1=O	REAL300030375498	0	49	-2.0	-88.57	392.78	1.74	-86.83
O=C(NC1CCC2CN(C(=O)C3=NC=CC=C3[O-])CCC2C1)C1=CC(=O)[N-]O1	REAL300030375865	1	48	-2.0	-99.71	388.92	3.12	-96.59
O=C(NC1CCC2CN(C(=O)C3=COC(=O)[N-]3)CCC2C1)C1=CC(=O)[N-]O1	REAL300030376425	1	45	-2.0	-86.49	364.99	0.52	-85.97
O=C(NC1CCC2CN(C(=O)C3=C[N-]N=CC3=O)CCC2C1)C1=CC(=O)[N-]O1	REAL300030376507	0	47	-2.0	-86.51	383.41	1.97	-84.54
O=C(NC1CCC2CN(C(=O)C3=CC(=O)N[N-]3)CCC2C1)C1=CC(=O)[N-]O1	REAL300030376580	0	46	-2.0	-86.94	369.84	0.48	-86.46
C[PH](C)([O-])C(=O)C(=O)N1CCC2CC(NC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030376584	0	51	-2.0	-88.27	403.35	1.41	-86.86
O=C(NC1CCC2CN(C(=O)C3=NC(=O)N[N-]3)CCC2C1)C1=CC(=O)[N-]O1	REAL300030376618	0	45	-2.0	-86.56	368.67	-0.59	-87.15
O=C(NC1CCC2CN(C(=O)C3=CN=CC([O-])=C3)CCC2C1)C1=CC(=O)[N-]O1	REAL300030376749	1	48	-2.0	-86.32	389.04	1.18	-85.14
CN1N=C(C(=O)N2CCC3CC(NC(=O)C4=CC(=O)[N-]O4)CCC3C2)[N-]C1=O	REAL300030376877	0	48	-2.0	-93.03	391.36	0.22	-92.81
O=C(NC1CCC2CN(C(=O)C3=CC=NC=C3[O-])CCC2C1)C1=CC(=O)[N-]O1	REAL300030377036	0	48	-2.0	-97.36	386.11	1.84	-95.52
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1)C1=CC(=O)[N-]O1	REAL300030377039	0	45	-2.0	-90.84	364.78	0.53	-90.31
CN1[N-]C(C(=O)N2CCC3CC(NC(=O)C4=CC(=O)[N-]O4)CCC3C2)=CC1=O	REAL300030377134	0	49	-2.0	-89.53	392.57	2.19	-87.34
O=C(CC1=CC(=O)N[N-]1)N1CCC2CC(NC(=O)C3=CC(=O)[N-]O3)CCC2C1	REAL300030377188	1	49	-2.0	-96.56	393.59	0.85	-95.71
O=C(NC1CCC2CN(C(=O)C3=CC([O-])=CS3)CCC2C1)C1=CC(=O)[N-]O1	REAL300030377236	0	46	-2.0	-95.73	380.08	2.33	-93.40
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C2)C1	REAL300030377766	1	45	-2.0	-100.29	397.20	1.58	-98.71
O=C(CCCN1C(=O)[N-]NC1=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378532	0	46	-2.0	-96.03	402.15	-0.48	-96.51
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378791	0	44	-2.0	-94.92	390.77	-3.16	-98.08
CC(=O)[N-]C1=NC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CS1	REAL300030378792	1	42	-2.0	-86.93	382.52	0.51	-86.42
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030378982	1	45	-2.0	-100.45	396.50	0.98	-99.47
COC1=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)NC(=O)[N-]C1=O	REAL300030379118	1	43	-2.0	-96.61	375.33	-2.14	-98.75
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300030379259	0	38	-2.0	-96.58	343.86	-3.25	-99.83
O=C(CN1C(=O)[N-]NC1=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030379392	0	40	-2.0	-97.10	359.65	-1.68	-98.78
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CN([O-])C(=O)C=C3)C2)C1	REAL300030380413	0	40	-2.0	-107.94	353.19	2.40	-105.54
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300030380604	0	40	-2.0	-91.21	352.84	-2.56	-93.77
O=C(C1=COC(=O)[N-]1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380618	1	36	-2.0	-90.17	327.71	-1.75	-91.92
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C2)C1	REAL300030380675	1	48	-2.0	-103.98	401.95	3.14	-100.84
CCN1[N-]C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300030380881	0	43	-2.0	-94.43	377.13	1.43	-93.00
O=C(CC1=CC(=O)N[N-]1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380890	1	40	-2.0	-99.18	354.65	-0.64	-99.82
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=CC(=S)N3[O-])C2)C1	REAL300030380915	0	40	-2.0	-125.99	361.03	4.42	-121.57
O=C(CC1SC(=O)[N-]C1=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030380933	0	40	-2.0	-90.07	369.12	-2.08	-92.15
CN1N=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300030380952	0	39	-2.0	-98.18	349.00	-1.06	-99.24
CC1=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)NC(C2CC2)=N1	REAL300030381071	0	48	-2.0	-102.64	415.80	1.91	-100.73
CC1=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300030381071	1	48	-2.0	-102.64	415.80	1.91	-100.73
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300030381086	0	38	-2.0	-94.31	335.68	1.62	-92.69
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=C4N=NN([O-])C4=C3)C2)C1	REAL300030381128	0	42	-2.0	-95.04	369.81	0.89	-94.15
O=C(C1=CC(=O)N[N-]1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381241	0	37	-2.0	-91.49	331.54	-1.25	-92.74
C[PH](C)([O-])C(=O)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381246	0	42	-2.0	-91.61	364.48	-0.05	-91.66
O=C(CCC1=NC(=O)NN1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381288	0	42	-2.0	-100.46	370.63	-1.47	-101.93
O=C(CCC1=NC(=O)[N-]N1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381288	1	42	-2.0	-100.46	370.63	-1.47	-101.93
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=CN([O-])C3=O)C2)C1	REAL300030381297	0	40	-2.0	-114.73	360.61	2.63	-112.10
CSC1=NC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N1	REAL300030381318	0	42	-2.0	-99.88	387.43	0.49	-99.39
CSC1=NC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030381318	1	42	-2.0	-99.88	387.43	0.49	-99.39
CC1SC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NC1=O	REAL300030381344	0	39	-2.0	-96.24	359.46	-0.80	-97.04
CC1=C([O-])N=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300030381344	1	39	-2.0	-96.24	359.46	-0.80	-97.04
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC(=O)C=C(Cl)N3)C2)C1	REAL300030381368	0	39	-2.0	-87.68	362.27	2.23	-85.45
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C2)C1	REAL300030381368	1	39	-2.0	-87.68	362.27	2.23	-85.45
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC(=O)N([O-])C=C3)C2)C1	REAL300030381395	0	40	-2.0	-108.29	352.61	2.34	-105.95
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=CC(=O)N3[O-])C2)C1	REAL300030381462	0	40	-2.0	-123.10	349.92	3.38	-119.72
NC1=NC([O-])=C(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300030381664	0	41	-2.0	-109.49	375.31	-2.22	-111.71
O=C(CC1=NC([O-])=CS1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030381732	0	39	-2.0	-109.67	360.50	-1.34	-111.01
CCC1=NC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N1	REAL300030381761	0	44	-2.0	-99.03	386.12	0.99	-98.04
CCC1=NC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030381761	1	44	-2.0	-99.03	386.12	0.99	-98.04
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C(Cl)C(=O)[N-]S3)C2)C1	REAL300030381863	0	36	-2.0	-93.20	347.48	-0.23	-93.43
COCC1=NC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N1	REAL300030381990	0	45	-2.0	-99.34	399.05	-0.76	-100.10
COCC1=NC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030381990	1	45	-2.0	-99.34	399.05	-0.76	-100.10
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CN=C(CC4CC4)NC3=O)C2)C1	REAL300030382003	0	48	-2.0	-98.78	417.04	2.59	-96.19
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CN=C(CC4CC4)[N-]C3=O)C2)C1	REAL300030382003	1	48	-2.0	-98.78	417.04	2.59	-96.19
CC1=CC(=O)C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N[N-]1	REAL300030382102	0	41	-2.0	-95.20	361.05	2.62	-92.58
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300030382125	0	36	-2.0	-90.60	327.32	-2.20	-92.80
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CNC(=O)C([N+](=O)[O-])=C3)C2)C1	REAL300030382154	0	41	-2.0	-90.24	367.73	1.33	-88.91
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C[N-]C(=O)C([N+](=O)[O-])=C3)C2)C1	REAL300030382154	1	41	-2.0	-90.24	367.73	1.33	-88.91
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CN=C(C=N[O-])S3)C2)C1	REAL300030382305	0	39	-2.0	-104.44	365.14	0.02	-104.42
CN1[N-]C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300030382570	0	40	-2.0	-93.68	355.12	0.60	-93.08
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=CC4=C3C(=O)NC4=O)C2)C1	REAL300030382581	0	43	-2.0	-108.49	378.02	0.43	-108.06
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=CC4=C3C(=O)[N-]C4=O)C2)C1	REAL300030382581	1	43	-2.0	-108.49	378.02	0.43	-108.06
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382585	0	40	-2.0	-94.93	371.86	-1.38	-96.31
CC1=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=S)NC(=O)N1	REAL300030382586	0	42	-2.0	-105.96	384.38	0.21	-105.75
CC1=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=S)[N-]C(=O)N1	REAL300030382586	1	42	-2.0	-105.96	384.38	0.21	-105.75
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300030382821	0	38	-2.0	-92.73	345.40	-3.94	-96.67
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1	REAL300030382821	1	38	-2.0	-87.60	345.99	-3.16	-90.76
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382907	0	42	-2.0	-96.36	381.77	-5.05	-101.41
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030382907	1	42	-2.0	-91.09	381.71	-4.99	-96.08
O=C(CN1[N-]C(=O)C=CC1=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383068	0	42	-2.0	-97.89	375.77	-0.71	-98.60
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=NC=CC=C3[O-])C2)C1	REAL300030383326	1	39	-2.0	-104.61	344.26	2.41	-102.20
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383453	1	45	-2.0	-100.45	396.50	0.98	-99.47
CC(=O)[N-]C1=NC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CS1	REAL300030383471	1	42	-2.0	-86.93	382.52	0.51	-86.42
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300030383507	0	38	-2.0	-96.58	343.86	-3.25	-99.83
COC1=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)NC(=O)[N-]C1=O	REAL300030383569	1	43	-2.0	-96.61	375.33	-2.14	-98.75
O=C(CN1C(=O)[N-]NC1=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383769	0	40	-2.0	-97.10	359.65	-1.68	-98.78
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030383836	0	44	-2.0	-98.82	393.20	1.20	-97.62
O=C(CCCN1C(=O)[N-]NC1=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030384949	0	46	-2.0	-96.03	402.15	-0.48	-96.51
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C2)C1	REAL300030385196	1	45	-2.0	-100.29	397.20	1.58	-98.71
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386228	0	44	-2.0	-94.92	390.77	-3.16	-98.08
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=C([O-])C([N+](=O)[O-])=C3)C2)C1	REAL300030386238	0	42	-2.0	-96.48	373.57	3.66	-92.82
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC(Cl)=CC=C3[O-])C2)C1	REAL300030386254	1	40	-2.0	-100.53	363.60	3.91	-96.62
N#CC1=CC([O-])=CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030386291	1	41	-2.0	-88.32	367.84	2.29	-86.03
NC1=CC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C([O-])=C1Cl	REAL300030386326	0	42	-2.0	-105.59	375.37	1.87	-103.72
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=CC([N+](=O)[O-])=C3[O-])C2)C1	REAL300030386395	0	42	-2.0	-109.03	372.89	4.70	-104.33
CCC1=NC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030386432	1	44	-2.0	-99.03	386.12	0.99	-98.04
O=C(C1=COC(=O)[N-]1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386459	1	36	-2.0	-90.17	327.71	-1.75	-91.92
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=CC([O-])=C3[N+](=O)[O-])C2)C1	REAL300030386549	0	42	-2.0	-108.25	376.01	3.40	-104.85
O=C(C[N-]C(=O)C(F)(F)F)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386568	0	39	-2.0	-90.80	365.00	-1.35	-92.15
NC1=NC([O-])=C(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300030386569	0	41	-2.0	-109.49	375.31	-2.22	-111.71
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C(F)C=C([O-])C=C3F)C2)C1	REAL300030386580	0	40	-2.0	-90.13	367.23	2.20	-87.93
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=C([O-])C=C3F)C2)C1	REAL300030386604	1	40	-2.0	-95.05	355.12	2.04	-93.01
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC([O-])=C4SC=CC4=C3)C2)C1	REAL300030386612	1	43	-2.0	-99.10	383.01	3.11	-95.99
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC([O-])=CC(=O)O3)C2)C1	REAL300030386615	0	39	-2.0	-92.73	351.71	1.31	-91.42
N#CC1=CC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1[O-]	REAL300030386629	1	41	-2.0	-92.78	366.76	2.23	-90.55
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC(Cl)=NC=C3[O-])C2)C1	REAL300030386635	0	39	-2.0	-97.31	356.74	2.05	-95.26
N#CC1=CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C(N)[N-]C1=O	REAL300030386642	0	42	-2.0	-92.74	382.48	-0.84	-93.58
O=C(CN1N=CC(=O)[N-]C1=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386661	0	41	-2.0	-100.84	370.00	-2.81	-103.65
CC1=CC=C([O-])C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300030386763	1	42	-2.0	-105.40	365.84	3.00	-102.40
O=C(CCC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030386767	0	42	-2.0	-94.58	370.89	-1.02	-95.60
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300030386793	0	38	-2.0	-94.31	335.68	1.62	-92.69
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=CC(F)=C3[O-])C2)C1	REAL300030386807	0	40	-2.0	-108.65	353.08	3.45	-105.20
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=CC([O-])=C3F)C2)C1	REAL300030386953	1	40	-2.0	-106.19	353.38	1.95	-104.24
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=C([N+](=O)[O-])C([O-])=C3)C2)C1	REAL300030387045	0	42	-2.0	-94.52	372.60	3.59	-90.93
O=C(C1=CC(=O)N[N-]1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387118	0	37	-2.0	-91.49	331.54	-1.25	-92.74
C[PH](C)([O-])C(=O)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387126	0	42	-2.0	-91.61	364.48	-0.05	-91.66
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030387156	0	45	-2.0	-104.88	400.42	3.57	-101.31
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CN=C(CC4CC4)NC3=O)C2)C1	REAL300030387179	0	48	-2.0	-98.78	417.04	2.59	-96.19
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CN=C(CC4CC4)[N-]C3=O)C2)C1	REAL300030387179	1	48	-2.0	-98.78	417.04	2.59	-96.19
COCC1=NC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N1	REAL300030387203	0	45	-2.0	-99.34	399.05	-0.76	-100.10
COCC1=NC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030387203	1	45	-2.0	-99.34	399.05	-0.76	-100.10
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC(=O)N([O-])C=C3)C2)C1	REAL300030387268	0	40	-2.0	-108.29	352.61	2.34	-105.95
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC(F)=C(F)C([O-])=C3F)C2)C1	REAL300030387305	0	40	-2.0	-99.45	366.55	2.16	-97.29
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=NC(=O)N[N-]3)C2)C1	REAL300030387307	0	36	-2.0	-90.60	327.32	-2.20	-92.80
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C(O)C=CC=C3Cl)C2)C1	REAL300030387313	0	40	-2.0	-98.99	370.99	2.62	-96.37
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C([O-])C=CC=C3Cl)C2)C1	REAL300030387313	1	40	-2.0	-98.99	370.99	2.62	-96.37
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=CN([O-])C3=O)C2)C1	REAL300030387322	0	40	-2.0	-114.73	360.61	2.63	-112.10
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C(F)C=CC(O)=C3F)C2)C1	REAL300030387365	0	40	-2.0	-96.72	367.07	2.18	-94.54
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C(F)C=CC([O-])=C3F)C2)C1	REAL300030387365	1	40	-2.0	-96.72	367.07	2.18	-94.54
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC(F)=CC=C3O)C2)C1	REAL300030387592	0	40	-2.0	-100.02	353.29	3.46	-96.56
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC(F)=CC=C3[O-])C2)C1	REAL300030387592	1	40	-2.0	-100.02	353.29	3.46	-96.56
CC1=CC=NC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1O	REAL300030387693	0	42	-2.0	-104.38	364.57	3.11	-101.27
CC1=CC=NC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1[O-]	REAL300030387693	1	42	-2.0	-104.38	364.57	3.11	-101.27
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=C(Cl)C(F)=C3[O-])C2)C1	REAL300030387760	0	40	-2.0	-104.50	369.22	3.97	-100.53
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CN=CC([O-])=C3)C2)C1	REAL300030387893	1	39	-2.0	-90.99	342.65	0.03	-90.96
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=CC(=S)N3[O-])C2)C1	REAL300030387907	0	40	-2.0	-125.99	361.03	4.42	-121.57
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)C2)C1	REAL300030388065	1	48	-2.0	-103.98	401.95	3.14	-100.84
NC1=CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC([O-])=C1Cl	REAL300030388083	1	42	-2.0	-94.93	374.82	0.25	-94.68
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=C([O-])C(Cl)=N3)C2)C1	REAL300030388088	0	39	-2.0	-87.18	362.56	1.21	-85.97
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=C([O-])C=C3Cl)C2)C1	REAL300030388165	1	40	-2.0	-93.37	363.68	2.51	-90.86
N#CC1=CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C([O-])C=C1N	REAL300030388168	0	43	-2.0	-100.23	381.27	1.81	-98.42
O=C(CC1=NC([O-])=CS1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388182	0	39	-2.0	-109.67	360.50	-1.34	-111.01
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C([O-])C=CC=C3F)C2)C1	REAL300030388207	0	40	-2.0	-100.31	361.50	2.24	-98.07
O=C(CN1[N-]C(=O)C=CC1=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388210	0	42	-2.0	-97.89	375.77	-0.71	-98.60
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=C(F)C=C3[O-])C2)C1	REAL300030388213	0	40	-2.0	-104.19	354.91	3.46	-100.73
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388268	0	43	-2.0	-104.82	380.14	2.76	-102.06
O=C(CC1SC(=O)[N-]C1=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388368	0	40	-2.0	-90.07	369.12	-2.08	-92.15
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=C([O-])C(F)=C3F)C2)C1	REAL300030388401	0	40	-2.0	-97.06	359.60	2.00	-95.06
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC([N+](=O)[O-])=C[N-]C3=O)C2)C1	REAL300030388405	1	41	-2.0	-89.09	376.91	0.61	-88.48
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=CC(Cl)=C3[O-])C2)C1	REAL300030388411	0	40	-2.0	-103.26	362.88	3.93	-99.33
CC1=CC(=O)C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N[N-]1	REAL300030388449	0	41	-2.0	-95.20	361.05	2.62	-92.58
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388455	0	45	-2.0	-107.95	392.97	2.43	-105.52
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=CC(=O)N3[O-])C2)C1	REAL300030388491	0	40	-2.0	-123.10	349.92	3.38	-119.72
N#CC1=CC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030388539	0	40	-2.0	-95.24	371.11	0.40	-94.84
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388540	0	42	-2.0	-96.36	381.77	-5.05	-101.41
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030388540	1	42	-2.0	-91.09	381.71	-4.99	-96.08
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC([O-])=CC=C3[N+](=O)[O-])C2)C1	REAL300030388571	0	42	-2.0	-89.60	377.46	3.57	-86.03
CN1N=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300030388617	0	39	-2.0	-98.18	349.00	-1.06	-99.24
[N-]=[N+]=NC1=CC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC=C1[O-]	REAL300030388659	0	42	-2.0	-89.11	375.36	-0.31	-89.42
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C(F)C=CC(O)=C3O)C2)C1	REAL300030388703	0	41	-2.0	-100.49	371.44	0.26	-100.23
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C(F)C=CC(O)=C3[O-])C2)C1	REAL300030388703	1	41	-2.0	-100.49	371.44	0.26	-100.23
N#CC1=CC=C([O-])C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030388716	0	41	-2.0	-97.44	367.71	3.81	-93.63
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CN([O-])C(=O)NC3=O)C2)C1	REAL300030388863	0	40	-2.0	-95.77	356.86	1.21	-94.56
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC(Cl)=C(F)C=C3[O-])C2)C1	REAL300030388905	0	40	-2.0	-97.04	369.40	3.95	-93.09
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=C(F)C([O-])=C3)C2)C1	REAL300030388941	1	40	-2.0	-96.52	352.83	1.85	-94.67
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C([O-])C4=NC=CC=C4C=C3)C2)C1	REAL300030388951	1	45	-2.0	-114.14	387.60	3.86	-110.28
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=C([N+](=O)[O-])C=C3[O-])C2)C1	REAL300030388955	0	42	-2.0	-101.18	376.66	4.07	-97.11
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC([N+](=O)[O-])=CC=C3[O-])C2)C1	REAL300030388958	0	42	-2.0	-93.42	375.05	4.07	-89.35
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=C(Cl)C=C3[O-])C2)C1	REAL300030388972	1	40	-2.0	-104.06	365.23	3.92	-100.14
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC([O-])=CC([N+](=O)[O-])=C3)C2)C1	REAL300030388995	0	42	-2.0	-88.00	375.18	2.56	-85.44
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300030389087	0	38	-2.0	-87.60	345.99	-3.16	-90.76
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1	REAL300030389087	1	38	-2.0	-87.60	345.99	-3.16	-90.76
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=C4N=NN([O-])C4=C3)C2)C1	REAL300030389130	0	42	-2.0	-95.04	369.81	0.89	-94.15
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C(O)C4=CC=CC=C4C=N3)C2)C1	REAL300030389176	0	45	-2.0	-109.51	389.41	4.73	-104.78
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C2)C1	REAL300030389176	1	45	-2.0	-109.51	389.41	4.73	-104.78
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C(Cl)C(=O)[N-]S3)C2)C1	REAL300030389177	0	36	-2.0	-93.20	347.48	-0.23	-93.43
NC1=NC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N1	REAL300030389203	0	40	-2.0	-99.39	359.48	-0.67	-100.06
NC1=NC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030389203	1	40	-2.0	-99.39	359.48	-0.67	-100.06
CC1=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C(=O)C(C#N)=C1	REAL300030389240	0	43	-2.0	-86.74	381.72	1.78	-84.96
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C2)C1	REAL300030389331	0	40	-2.0	-92.00	369.79	2.47	-89.53
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CNC(=O)C([N+](=O)[O-])=C3)C2)C1	REAL300030389340	0	41	-2.0	-90.24	367.73	1.33	-88.91
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C[N-]C(=O)C([N+](=O)[O-])=C3)C2)C1	REAL300030389340	1	41	-2.0	-90.24	367.73	1.33	-88.91
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=C4N[N-]N=C4C3=O)C2)C1	REAL300030389349	0	42	-2.0	-97.08	375.27	0.60	-96.48
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=NC=CC(Cl)=C3[O-])C2)C1	REAL300030389362	0	39	-2.0	-100.67	360.45	2.93	-97.74
O=C(CC1=CC=C(O)C(Cl)=C1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389368	0	43	-2.0	-100.98	391.64	3.48	-97.50
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389368	1	43	-2.0	-100.98	391.64	3.48	-97.50
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389435	0	36	-2.0	-94.91	327.58	-0.87	-95.78
CC1SC(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=NC1=O	REAL300030389479	0	39	-2.0	-96.24	359.46	-0.80	-97.04
CC1=C([O-])N=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300030389479	1	39	-2.0	-96.24	359.46	-0.80	-97.04
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C(O)C=CC4=CC=CC=C43)C2)C1	REAL300030389538	0	46	-2.0	-105.70	399.64	4.35	-101.35
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C([O-])C=CC4=CC=CC=C43)C2)C1	REAL300030389538	1	46	-2.0	-105.70	399.64	4.35	-101.35
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C(O)C4=CC=CC=C4C=C3)C2)C1	REAL300030389558	0	46	-2.0	-108.15	391.78	5.71	-102.44
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C([O-])C4=CC=CC=C4C=C3)C2)C1	REAL300030389558	1	46	-2.0	-108.15	391.78	5.71	-102.44
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC4=CC=CC=C4C=C3O)C2)C1	REAL300030389566	0	46	-2.0	-111.26	392.91	5.67	-105.59
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC4=CC=CC=C4C=C3[O-])C2)C1	REAL300030389566	1	46	-2.0	-111.26	392.91	5.67	-105.59
O=C(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=C(O)C=C1	REAL300030389622	0	42	-2.0	-93.19	369.19	2.03	-91.16
O=C(C(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=C([O-])C=C1	REAL300030389622	1	42	-2.0	-93.19	369.19	2.03	-91.16
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CN=C(C=N[O-])S3)C2)C1	REAL300030389661	0	39	-2.0	-104.44	365.14	0.02	-104.42
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC(=O)C=C(Cl)N3)C2)C1	REAL300030389699	0	39	-2.0	-87.68	362.27	2.23	-85.45
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C2)C1	REAL300030389699	1	39	-2.0	-87.68	362.27	2.23	-85.45
CSC1=NC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N1	REAL300030389725	0	42	-2.0	-99.88	387.43	0.49	-99.39
CSC1=NC=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030389725	1	42	-2.0	-99.88	387.43	0.49	-99.39
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300030389734	0	40	-2.0	-91.21	352.84	-2.56	-93.77
CCN1[N-]C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300030389822	0	43	-2.0	-94.43	377.13	1.43	-93.00
CN1[N-]C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300030389846	0	40	-2.0	-93.68	355.12	0.60	-93.08
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=CC4=C3C(=O)[N-]C4=O)C2)C1	REAL300030389861	1	43	-2.0	-108.49	378.02	0.43	-108.06
O=C(CSC1=NNC(=O)[N-]1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030389866	0	40	-2.0	-94.93	371.86	-1.38	-96.31
CC1=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=S)[N-]C(=O)N1	REAL300030389868	1	42	-2.0	-105.96	384.38	0.21	-105.75
CC1=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300030389879	1	48	-2.0	-102.64	415.80	1.91	-100.73
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C([O-])C=NC4=CC=CC=C43)C2)C1	REAL300030389944	1	45	-2.0	-100.94	394.27	2.46	-98.48
O=C(CC1=CC(=O)N[N-]1)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030390064	1	40	-2.0	-99.18	354.65	-0.64	-99.82
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=C([O-])C(F)=C3)C2)C1	REAL300030390071	1	40	-2.0	-97.26	352.81	1.89	-95.37
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC(F)=C([O-])C(F)=C3)C2)C1	REAL300030390139	0	40	-2.0	-96.30	358.99	1.94	-94.36
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC=NC(Cl)=C3[O-])C2)C1	REAL300030390145	0	39	-2.0	-101.30	356.05	2.08	-99.22
CC1=C(CC(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N(C)[N-]1	REAL300030390167	0	46	-2.0	-100.89	397.52	1.76	-99.13
O=C(CCC(=O)N1CC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=C([O-])C=C1	REAL300030390180	1	48	-2.0	-95.78	417.98	3.63	-92.15
CC1=CN=C(C(=O)N2CC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C([O-])=C1	REAL300030390221	1	42	-2.0	-104.97	364.64	2.98	-101.99
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=C(O)C=CC(Cl)=C3[O-])C2)C1	REAL300030390238	0	41	-2.0	-100.14	381.15	-0.09	-100.23
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC([O-])=CS3)C2)C1	REAL300030390263	0	37	-2.0	-101.76	338.92	0.88	-100.88
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CN([O-])C(=O)C=C3)C2)C1	REAL300030390289	0	40	-2.0	-107.94	353.19	2.40	-105.54
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC(F)=CC(Cl)=C3[O-])C2)C1	REAL300030390295	0	40	-2.0	-96.60	369.28	4.00	-92.60
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CN([O-])C(=O)NC3=O)C2)C1	REAL300030390352	0	40	-2.0	-95.77	356.86	1.21	-94.56
O=C(C1=CC(=O)[N-]O1)N1CC(C2CN(C(=O)C3=CC([N+](=O)[O-])=C[N-]C3=O)C2)C1	REAL300030390389	1	41	-2.0	-89.09	376.91	0.61	-88.48
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300030391307	0	44	-2.0	-103.27	358.73	-2.40	-105.67
O=C(CN1C(=O)[N-]NC1=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030391368	0	46	-2.0	-102.88	373.35	-0.62	-103.50
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300030391796	0	46	-2.0	-109.87	369.14	3.80	-106.07
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300030391884	0	46	-2.0	-99.52	369.97	-0.90	-100.42
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300030391895	1	42	-2.0	-105.35	341.93	-1.17	-106.52
O=C([N-]CC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300030391961	1	41	-2.0	-100.09	348.22	3.00	-97.09
CCN1[N-]C(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030392019	0	49	-2.0	-105.26	393.14	2.30	-102.96
O=C(CC1=CC(=O)N[N-]1)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392026	1	46	-2.0	-104.67	368.34	0.42	-104.25
CN1N=C(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030392053	0	45	-2.0	-107.10	365.92	-0.13	-107.23
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300030392116	0	44	-2.0	-84.73	353.34	1.08	-83.65
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300030392187	0	43	-2.0	-102.37	347.17	-0.34	-102.71
C[PH](C)([O-])C(=O)C(=O)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392192	0	48	-2.0	-101.75	387.02	0.97	-100.78
O=C(CCC1=NC(=O)NN1)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392214	0	48	-2.0	-107.98	383.04	-0.45	-108.43
O=C(CCC1=NC(=O)[N-]N1)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392214	1	48	-2.0	-107.98	383.04	-0.45	-108.43
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300030392217	0	46	-2.0	-102.74	369.30	3.12	-99.62
CC1SC(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030392238	0	45	-2.0	-111.17	375.14	-0.21	-111.38
CC1=C([O-])N=C(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)S1	REAL300030392238	1	45	-2.0	-111.17	375.14	-0.21	-111.38
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300030392256	0	46	-2.0	-111.02	370.13	3.93	-107.09
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300030392281	0	46	-2.0	-129.69	369.17	3.94	-125.75
O=C(CC1=NC([O-])=CS1)NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030392400	0	45	-2.0	-106.92	372.92	-0.39	-107.31
CC1=CC(=O)C(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030392570	0	47	-2.0	-108.48	375.85	3.49	-104.99
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300030392581	0	42	-2.0	-103.58	343.19	-1.64	-105.22
CN1[N-]C(C(=O)NCC2C3CCC(CC3)N2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030392782	0	46	-2.0	-104.24	371.41	1.37	-102.87
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300030392888	0	44	-2.0	-103.54	361.72	-3.40	-106.94
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300030392888	1	44	-2.0	-99.46	360.53	-2.46	-101.92
O=C(NCC1C2CCC(CC2)N1C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030393243	1	45	-2.0	-119.74	358.77	3.74	-116.00
O=C(NCC1C2CCC(CC2)N1C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300030393346	0	44	-2.0	-110.56	358.09	-2.19	-112.75
O=C(CN1C(=O)[N-]NC1=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030393454	0	46	-2.0	-100.07	377.70	-1.37	-101.44
N#CC1=CC([O-])=CC(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030394390	1	47	-2.0	-100.85	374.37	3.65	-97.20
O=C(NCC1C2CCC(CC2)N1C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030394460	1	42	-2.0	-94.99	341.68	0.39	-94.60
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300030394533	1	46	-2.0	-105.68	367.03	3.19	-102.49
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300030394538	0	45	-2.0	-100.73	367.71	2.19	-98.54
N#CC1=CC=C(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300030394541	1	47	-2.0	-118.51	376.01	3.80	-114.71
CC1=CC=C([O-])C(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030394600	1	48	-2.0	-121.01	380.37	4.32	-116.69
O=C(NCC1C2CCC(CC2)N1C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300030394612	0	44	-2.0	-104.86	347.19	3.28	-101.58
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300030394619	0	46	-2.0	-127.89	374.94	3.27	-124.62
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300030394691	1	46	-2.0	-122.25	375.04	3.20	-119.05
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300030394766	0	43	-2.0	-102.70	346.30	0.13	-102.57
C[PH](C)([O-])C(=O)C(=O)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030394772	0	48	-2.0	-107.93	385.43	1.13	-106.80
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030394831	0	46	-2.0	-128.01	362.13	3.84	-124.17
O=C(NCC1C2CCC(CC2)N1C(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300030394848	0	42	-2.0	-96.76	343.85	-0.57	-97.33
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300030394853	0	46	-2.0	-104.35	351.20	2.74	-101.61
NC1=CC(=O)[N-]C(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030394940	0	46	-2.0	-113.04	371.64	-0.38	-113.42
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030394973	1	46	-2.0	-116.98	375.02	3.26	-113.72
CC1=CC=NC(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300030395020	1	48	-2.0	-119.66	380.48	4.38	-115.28
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030395088	1	45	-2.0	-110.48	363.60	1.33	-109.15
O=C(CC1=NC([O-])=CS1)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030395190	0	45	-2.0	-110.91	378.54	-1.00	-111.91
O=C(NCC1C2CCC(CC2)N1C(=O)C1=C([O-])C=CC=C1F)C1=CC(=O)[N-]O1	REAL300030395203	0	46	-2.0	-104.68	379.09	2.57	-102.11
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300030395204	0	46	-2.0	-122.77	366.79	4.59	-118.18
CC1=CC(=O)C(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030395313	0	47	-2.0	-108.96	375.26	3.68	-105.28
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300030395331	0	46	-2.0	-141.69	374.44	3.54	-138.15
N#CC1=CC=C(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030395351	0	46	-2.0	-94.99	361.19	1.40	-93.59
CN1N=C(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030395381	0	45	-2.0	-111.50	363.83	0.31	-111.19
N#CC1=CC=C(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030395416	0	47	-2.0	-116.48	374.84	5.24	-111.24
N#CC1=CC=C([O-])C(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030395422	0	47	-2.0	-111.70	375.06	5.22	-106.48
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300030395520	1	46	-2.0	-124.16	362.17	3.41	-120.75
O=C(NCC1C2CCC(CC2)N1C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300030395578	0	44	-2.0	-95.90	360.33	-1.38	-97.28
O=C(NCC1C2CCC(CC2)N1C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030395578	1	44	-2.0	-95.90	360.33	-1.38	-97.28
NC1=NC=C(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030395618	0	46	-2.0	-102.65	350.22	-0.27	-102.92
NC1=NC=C(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030395618	1	46	-2.0	-102.65	350.22	-0.27	-102.92
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300030395715	0	42	-2.0	-104.60	341.50	0.31	-104.29
CC1SC(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030395732	0	45	-2.0	-98.88	375.83	0.86	-98.02
CC1=C([O-])N=C(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030395732	1	45	-2.0	-98.88	375.83	0.86	-98.02
O=C(NCC1C2CCC(CC2)N1C(=O)C(=O)C1=CC=C(O)C=C1)C1=CC(=O)[N-]O1	REAL300030395811	0	48	-2.0	-99.38	393.68	3.06	-96.32
O=C(NCC1C2CCC(CC2)N1C(=O)C(=O)C1=CC=C([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030395811	1	48	-2.0	-99.38	393.68	3.06	-96.32
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030395849	0	46	-2.0	-88.45	371.21	-2.15	-90.60
CCN1[N-]C(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030395894	0	49	-2.0	-106.48	390.99	2.91	-103.57
CN1[N-]C(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030395910	0	46	-2.0	-105.38	369.26	1.98	-103.40
O=C(CC1=CC(=O)N[N-]1)N1C2CCC(CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030396000	1	46	-2.0	-102.20	372.65	-0.28	-102.48
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300030396004	1	46	-2.0	-117.97	362.10	3.45	-114.52
CC1=CN=C(C(=O)N2C3CCC(CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030396073	1	48	-2.0	-121.63	380.21	4.38	-117.25
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300030396086	0	43	-2.0	-111.91	356.88	1.89	-110.02
O=C(NCC1C2CCC(CC2)N1C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300030396099	0	46	-2.0	-127.63	361.58	3.92	-123.71
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NNC(=O)[N-]C1=O	REAL300030396908	0	44	-2.0	-93.53	369.50	-6.54	-100.07
O=C(CN1C(=O)[N-]NC1=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030396958	0	46	-2.0	-95.81	383.41	-5.03	-100.84
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN([O-])C(=O)C=C1	REAL300030397324	0	46	-2.0	-106.49	380.37	-0.55	-107.04
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)NC([O-])=C1	REAL300030397399	0	46	-2.0	-86.20	380.82	-5.42	-91.62
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COC(=O)[N-]1	REAL300030397410	1	42	-2.0	-87.89	352.91	-5.61	-93.50
CCN1[N-]C(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030397519	0	49	-2.0	-91.65	402.49	-1.85	-93.50
O=C(CC1=CC(=O)N[N-]1)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397526	1	46	-2.0	-95.29	378.39	-3.95	-99.24
CN1N=C(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300030397547	0	45	-2.0	-94.77	375.19	-4.28	-99.05
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=C[N-]N=CC1=O	REAL300030397601	0	44	-2.0	-80.78	361.96	-2.46	-83.24
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N[N-]1	REAL300030397664	0	43	-2.0	-88.49	357.74	-4.63	-93.12
C[PH](C)([O-])C(=O)C(=O)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397669	0	48	-2.0	-86.09	390.66	-3.27	-89.36
O=C(CCC1=NC(=O)NN1)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397689	0	48	-2.0	-98.63	393.66	-4.95	-103.58
O=C(CCC1=NC(=O)[N-]N1)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397689	1	48	-2.0	-98.63	393.66	-4.95	-103.58
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CN([O-])C1=O	REAL300030397691	0	46	-2.0	-98.26	378.27	-0.30	-98.56
CC1SC(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NC1=O	REAL300030397711	0	45	-2.0	-94.00	384.28	-4.50	-98.50
CC1=C([O-])N=C(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030397711	1	45	-2.0	-94.00	384.28	-4.50	-98.50
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N([O-])C=C1	REAL300030397727	0	46	-2.0	-106.32	380.95	-0.42	-106.74
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC(=O)N1[O-]	REAL300030397751	0	46	-2.0	-121.76	378.02	0.59	-121.17
O=C(CC1=NC([O-])=CS1)NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030397860	0	45	-2.0	-105.95	384.24	-4.67	-110.62
CC1=CC(=O)C(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300030398008	0	47	-2.0	-92.08	386.66	-0.69	-92.77
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)N[N-]1	REAL300030398018	0	42	-2.0	-88.09	352.33	-5.92	-94.01
CN1[N-]C(C(=O)NCCC2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030398191	0	46	-2.0	-91.25	380.55	-2.91	-94.16
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)[N-]C(=O)N1	REAL300030398279	0	44	-2.0	-85.37	371.50	-6.93	-92.30
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)NC(=O)[N-]1	REAL300030398279	1	44	-2.0	-85.37	371.50	-6.93	-92.30
O=C(NCCC1(O)CCN(C(=O)C2=NC=CC=C2O)CC1)C1=CC(=O)[N-]O1	REAL300030398629	0	45	-2.0	-100.52	372.44	-1.01	-101.53
O=C(NCCC1(O)CCN(C(=O)C2=NC=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030398629	1	45	-2.0	-100.52	372.44	-1.01	-101.53
O=C(NCCC1(O)CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1)C1=CC(=O)[N-]O1	REAL300030398722	0	44	-2.0	-92.07	373.56	-7.74	-99.81
O=C(CN1C(=O)[N-]NC1=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030398812	0	46	-2.0	-93.83	386.51	-4.80	-98.63
O=C(NCCC1(O)CCN(C(=O)C2=COC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030399656	1	42	-2.0	-86.56	352.87	-4.02	-90.58
O=C(NCCC1(O)CCN(C(=O)C2=CC=C([O-])C=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030399723	1	46	-2.0	-91.42	381.58	-1.10	-92.52
O=C(NCCC1(O)CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1)C1=CC(=O)[N-]O1	REAL300030399726	0	45	-2.0	-88.08	380.23	-1.66	-89.74
CC1=CC=C([O-])C(C(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300030399776	1	48	-2.0	-101.36	394.05	-0.43	-101.79
O=C(CCC1=NC(=O)[N-]N1)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030399777	1	48	-2.0	-98.15	396.79	-4.68	-102.83
O=C(NCCC1(O)CCN(C(=O)C2=C[N-]N=CC2=O)CC1)C1=CC(=O)[N-]O1	REAL300030399786	0	44	-2.0	-87.72	371.61	-2.56	-90.28
O=C(NCCC1(O)CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030399793	0	46	-2.0	-105.62	383.41	-0.19	-105.81
O=C(NCCC1(O)CCN(C(=O)C2=CC=CC([O-])=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030399851	1	46	-2.0	-101.62	383.62	-1.10	-102.72
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030399921	0	43	-2.0	-86.89	357.52	-4.10	-90.99
C[PH](C)([O-])C(=O)C(=O)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030399926	0	48	-2.0	-87.49	396.88	-3.15	-90.64
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030399974	0	46	-2.0	-102.64	382.43	-0.67	-103.31
O=C(NCCC1(O)CCN(C(=O)C2=NC(=O)N[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030399990	0	42	-2.0	-85.90	352.31	-4.72	-90.62
O=C(NCCC1(O)CCN(C(=O)C2=CC=CN([O-])C2=O)CC1)C1=CC(=O)[N-]O1	REAL300030399995	0	46	-2.0	-102.06	380.17	-0.71	-102.77
O=C(NCCC1(O)CCN(C(=O)C2=CC(F)=CC=C2O)CC1)C1=CC(=O)[N-]O1	REAL300030400097	0	46	-2.0	-96.80	383.68	-0.22	-97.02
O=C(NCCC1(O)CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030400097	1	46	-2.0	-96.80	383.68	-0.22	-97.02
CC1=CC=NC(C(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)=C1O	REAL300030400139	0	48	-2.0	-101.52	390.25	0.22	-101.30
CC1=CC=NC(C(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)=C1[O-]	REAL300030400139	1	48	-2.0	-101.52	390.25	0.22	-101.30
O=C(NCCC1(O)CCN(C(=O)C2=CN=CC(O)=C2)CC1)C1=CC(=O)[N-]O1	REAL300030400195	0	45	-2.0	-93.14	373.17	-3.03	-96.17
O=C(NCCC1(O)CCN(C(=O)C2=CN=CC([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300030400195	1	45	-2.0	-93.14	373.17	-3.03	-96.17
O=C(CC1=NC([O-])=CS1)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400280	0	45	-2.0	-106.26	387.35	-4.43	-110.69
CC1=CC(=O)C(C(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300030400379	0	47	-2.0	-91.81	386.63	-0.41	-92.22
O=C(NCCC1(O)CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030400394	0	46	-2.0	-103.45	380.21	-0.37	-103.82
CN1N=C(C(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300030400438	0	45	-2.0	-93.77	375.19	-3.92	-97.69
O=C(NCCC1(O)CCN(C(=O)C2=CC=C(F)C(O)=C2)CC1)C1=CC(=O)[N-]O1	REAL300030400557	0	46	-2.0	-98.58	383.24	-1.12	-99.70
O=C(NCCC1(O)CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300030400557	1	46	-2.0	-98.58	383.24	-1.12	-99.70
O=C(NCCC1(O)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL300030400604	0	44	-2.0	-91.64	375.40	-7.78	-99.42
O=C(NCCC1(O)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030400604	1	44	-2.0	-84.43	371.90	-5.81	-90.24
NC1=NC=C(C(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300030400639	1	46	-2.0	-91.49	380.15	-3.97	-95.46
O=C(NCCC1(O)CCN(C(=O)C2=CC=NC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030400721	0	45	-2.0	-98.77	372.70	-2.72	-101.49
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)[N-]O1	REAL300030400726	0	42	-2.0	-92.53	352.48	-4.14	-96.67
CC1=C([O-])N=C(C(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030400741	1	45	-2.0	-94.76	384.32	-3.34	-98.10
O=C(NCCC1(O)CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300030400837	0	46	-2.0	-87.28	387.99	-5.36	-92.64
CCN1[N-]C(C(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030400878	0	49	-2.0	-90.79	402.30	-1.41	-92.20
CN1[N-]C(C(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030400894	0	46	-2.0	-89.53	380.34	-2.40	-91.93
O=C(CC1=CC(=O)N[N-]1)N1CCC(O)(CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030400972	1	46	-2.0	-95.60	381.47	-3.70	-99.30
O=C(NCCC1(O)CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1)C1=CC(=O)[N-]O1	REAL300030400976	1	46	-2.0	-92.21	383.17	-1.09	-93.30
CC1=CN=C(C(=O)N2CCC(O)(CCNC(=O)C3=CC(=O)[N-]O3)CC2)C([O-])=C1	REAL300030401037	1	48	-2.0	-101.93	393.88	-0.38	-102.31
O=C(NCCC1(O)CCN(C(=O)C2=CC([O-])=CS2)CC1)C1=CC(=O)[N-]O1	REAL300030401050	0	43	-2.0	-97.81	368.05	-2.23	-100.04
O=C(NCCC1(O)CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030401061	0	46	-2.0	-103.75	385.07	-0.59	-104.34
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300030401589	1	47	-2.0	-113.52	397.00	1.85	-111.67
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCCN1C(=O)[N-]NC1=O	REAL300030402301	0	48	-2.0	-105.77	402.45	-0.02	-105.79
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300030402540	0	46	-2.0	-100.68	390.15	-2.76	-103.44
CC(=O)[N-]C1=NC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030402541	1	44	-2.0	-91.51	381.34	1.35	-90.16
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300030402720	1	47	-2.0	-96.51	396.64	1.30	-95.21
COC1=C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030402842	1	45	-2.0	-95.88	387.72	-3.06	-98.94
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300030402969	0	40	-2.0	-96.47	344.91	-2.65	-99.12
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1C(=O)[N-]NC1=O	REAL300030403097	0	42	-2.0	-109.51	359.94	-1.27	-110.78
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300030404052	0	42	-2.0	-118.07	351.66	2.86	-115.21
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300030404236	0	42	-2.0	-96.95	361.91	-1.84	-98.79
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=COC(=O)[N-]1	REAL300030404249	1	38	-2.0	-93.58	326.13	-0.57	-94.15
CCN1[N-]C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030404500	0	45	-2.0	-102.33	375.74	2.09	-100.24
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1=CC(=O)N[N-]1	REAL300030404509	1	42	-2.0	-108.24	354.92	-0.18	-108.42
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=CC(=S)N1[O-]	REAL300030404534	0	42	-2.0	-104.32	367.72	3.59	-100.73
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1SC(=O)[N-]C1=O	REAL300030404550	0	42	-2.0	-94.95	367.64	-1.69	-96.64
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300030404569	0	41	-2.0	-98.30	350.69	-0.37	-98.67
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=C[N-]N=CC1=O	REAL300030404697	0	40	-2.0	-84.29	341.33	0.81	-83.48
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300030404737	0	44	-2.0	-95.56	371.54	1.34	-94.22
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(=O)N[N-]1	REAL300030404844	0	39	-2.0	-98.19	331.20	-0.54	-98.73
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300030404849	0	44	-2.0	-91.67	366.57	0.56	-91.11
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1=CC(=O)N(C)[N-]1	REAL300030404852	0	45	-2.0	-110.13	377.74	1.54	-108.59
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=CN([O-])C1=O	REAL300030404900	0	42	-2.0	-131.74	361.11	3.07	-128.67
CSC1=NC=C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030404921	1	44	-2.0	-113.42	387.22	0.77	-112.65
CC1=C([O-])N=C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030404947	1	41	-2.0	-99.01	357.73	0.20	-98.81
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300030404970	1	41	-2.0	-87.88	363.32	3.06	-84.82
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300030404995	0	42	-2.0	-107.57	364.22	3.08	-104.49
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300030405060	0	42	-2.0	-103.32	356.61	2.95	-100.37
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C[N-]C(=O)C(F)(F)F	REAL300030405244	0	41	-2.0	-90.25	365.13	-1.07	-91.32
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1=C([O-])N=C(N)S1	REAL300030405245	0	43	-2.0	-113.50	376.34	-1.87	-115.37
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CC1=NC([O-])=CS1	REAL300030405311	0	41	-2.0	-112.02	361.53	-0.99	-113.01
CCC1=NC=C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030405338	1	46	-2.0	-112.12	385.91	1.26	-110.86
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300030405351	0	43	-2.0	-103.60	371.03	-2.47	-106.07
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300030405436	0	38	-2.0	-101.16	346.41	0.05	-101.11
COCC1=NC=C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030405555	0	47	-2.0	-111.88	398.84	-0.49	-112.37
COCC1=NC=C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030405555	1	47	-2.0	-111.88	398.84	-0.49	-112.37
CC1=CC(=O)C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030405662	0	43	-2.0	-95.13	362.08	3.22	-91.91
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NNC(=O)[N-]1	REAL300030405681	0	38	-2.0	-95.45	327.93	-2.04	-97.49
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300030405707	0	43	-2.0	-90.66	378.54	2.04	-88.62
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030405707	1	43	-2.0	-90.66	378.54	2.04	-88.62
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CN=C(C=N[O-])S1	REAL300030405855	0	41	-2.0	-105.54	366.67	0.30	-105.24
COC1=NC(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030405876	0	44	-2.0	-95.55	371.73	-1.86	-97.41
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300030406108	0	42	-2.0	-94.13	356.06	1.18	-92.95
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300030406118	1	45	-2.0	-128.00	381.17	-0.12	-128.12
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CSC1=NNC(=O)[N-]1	REAL300030406121	0	42	-2.0	-94.32	371.98	-1.04	-95.36
CC1=C(C(=O)N(C)CC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300030406122	1	44	-2.0	-102.86	379.24	0.05	-102.81
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300030406351	0	40	-2.0	-97.09	344.08	-2.92	-100.01
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300030406351	1	40	-2.0	-93.82	345.29	-2.10	-95.92
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300030406430	0	44	-2.0	-100.77	381.15	-4.73	-105.50
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300030406430	1	44	-2.0	-97.34	381.09	-4.69	-102.03
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300030406583	0	44	-2.0	-97.35	376.80	-0.37	-97.72
CN(CC1CCN(C(=O)C2=NC=CC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030406840	1	41	-2.0	-122.67	341.72	3.05	-119.62
CN(CC1CCN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030406965	1	47	-2.0	-97.39	397.69	1.43	-95.96
CC(=O)[N-]C1=NC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030406979	1	44	-2.0	-89.29	382.91	1.15	-88.14
CN(CC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407014	0	40	-2.0	-108.18	341.34	-2.71	-110.89
COC1=C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030407071	1	45	-2.0	-96.40	375.26	-1.51	-97.91
CN(CC1CCN(C(=O)CN2C(=O)[N-]NC2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030407258	0	42	-2.0	-98.99	360.68	-1.23	-100.22
CN(CC1CCN(C(=O)CCCN2C(=O)[N-]NC2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408359	0	48	-2.0	-91.09	401.97	0.10	-90.99
CN(CC1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030408592	1	47	-2.0	-109.07	396.67	1.94	-107.13
CN(CC1CCN(C(=O)CCC2=NNC(=O)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409546	0	46	-2.0	-94.14	390.91	-2.73	-96.87
CN(CC1CCN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409556	0	44	-2.0	-97.72	372.17	3.98	-93.74
CN(CC1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409570	1	42	-2.0	-118.05	364.70	3.86	-114.19
CN(CC1CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409604	1	43	-2.0	-106.67	366.03	2.59	-104.08
CN(CC1CCN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409636	0	44	-2.0	-115.22	377.32	1.77	-113.45
CN(CC1CCN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409702	0	44	-2.0	-127.43	374.00	4.85	-122.58
CCC1=NC=C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030409736	1	46	-2.0	-106.23	386.93	1.30	-104.93
CN(CC1CCN(C(=O)C2=COC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409761	1	38	-2.0	-92.10	328.14	-0.90	-93.00
CN(CC1CCN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409849	0	44	-2.0	-121.40	377.89	3.48	-117.92
CN(CC1CCN(C(=O)C[N-]C(=O)C(F)(F)F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409867	0	41	-2.0	-92.98	365.76	-0.97	-93.95
CN(CC1CCN(C(=O)CC2=C([O-])N=C(N)S2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409868	0	43	-2.0	-107.99	377.37	-1.74	-109.73
CN(CC1CCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409879	0	42	-2.0	-98.10	367.08	2.72	-95.38
CN(CC1CCN(C(=O)C2=CC=C([O-])C=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409903	1	42	-2.0	-97.34	356.19	2.38	-94.96
CN(CC1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409912	0	41	-2.0	-91.88	352.04	1.78	-90.10
CN(CC1CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409923	1	43	-2.0	-91.48	366.37	2.60	-88.88
CN(CC1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409929	0	41	-2.0	-104.03	360.51	1.85	-102.18
CN(CC1CCN(C(=O)C2=C(N)[N-]C(=O)C(C#N)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409936	0	44	-2.0	-97.39	382.67	-0.32	-97.71
CN(CC1CCN(C(=O)CN2N=CC(=O)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030409955	0	43	-2.0	-95.40	369.87	-2.25	-97.65
CC1=CC=C([O-])C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030410048	1	44	-2.0	-110.67	366.24	3.62	-107.05
CN(CC1CCN(C(=O)C2=C[N-]N=CC2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410076	0	40	-2.0	-96.13	345.82	0.96	-95.17
CN(CC1CCN(C(=O)C2=CC=CC(F)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410090	0	42	-2.0	-126.17	354.71	3.49	-122.68
CN(CC1CCN(C(=O)C2=CC=CC([O-])=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410225	1	42	-2.0	-118.04	354.96	2.44	-115.60
CN(CC1CCN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410312	0	44	-2.0	-104.17	371.96	3.96	-100.21
CN(CC1CCN(C(=O)C2=CC(=O)N[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410382	0	39	-2.0	-93.54	332.98	-0.66	-94.20
CN(CC1CCN(C(=O)C(=O)[PH](C)(C)[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410390	0	44	-2.0	-95.13	366.36	0.64	-94.49
CN(CC1CCN(C(=O)C(=O)C=C([O-])C2=CC=CC=N2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410419	0	47	-2.0	-115.17	398.52	4.06	-111.11
COCC1=NC=C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030410460	0	47	-2.0	-106.16	399.86	-0.46	-106.62
COCC1=NC=C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030410460	1	47	-2.0	-106.16	399.86	-0.46	-106.62
CN(CC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410523	0	42	-2.0	-102.22	362.57	3.09	-99.13
CN(CC1CCN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410557	0	42	-2.0	-102.42	368.53	2.49	-99.93
CN(CC1CCN(C(=O)C2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410559	0	38	-2.0	-104.97	324.75	-2.13	-107.10
CN(CC1CCN(C(=O)C2=C(O)C=CC=C2Cl)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410565	0	42	-2.0	-114.97	370.42	3.08	-111.89
CN(CC1CCN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410565	1	42	-2.0	-114.97	370.42	3.08	-111.89
CN(CC1CCN(C(=O)C2=CC=CN([O-])C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410574	0	42	-2.0	-123.90	362.15	3.07	-120.83
CN(CC1CCN(C(=O)C2=C(F)C=CC(O)=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410615	0	42	-2.0	-95.73	369.14	2.59	-93.14
CN(CC1CCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410615	1	42	-2.0	-95.73	369.14	2.59	-93.14
CN(CC1CCN(C(=O)C2=CC(F)=CC=C2O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410827	0	42	-2.0	-117.00	354.40	3.41	-113.59
CN(CC1CCN(C(=O)C2=CC(F)=CC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410827	1	42	-2.0	-117.00	354.40	3.41	-113.59
CC1=CC=NC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300030410923	1	44	-2.0	-109.51	364.97	3.74	-105.77
CN(CC1CCN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030410989	0	42	-2.0	-113.70	371.11	3.85	-109.85
CN(CC1CCN(C(=O)C2=CN=CC([O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411118	1	41	-2.0	-92.34	341.20	0.41	-91.93
CN(CC1CCN(C(=O)C2=CC=CC(=S)N2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411131	0	42	-2.0	-130.37	371.79	3.56	-126.81
CN(CC1CCN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411301	1	44	-2.0	-99.53	373.86	0.68	-98.85
CN(CC1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411306	0	41	-2.0	-88.75	362.94	1.87	-86.88
CN(CC1CCN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411376	1	42	-2.0	-95.52	364.87	2.82	-92.70
CN(CC1CCN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411379	0	45	-2.0	-115.50	381.79	1.63	-113.87
CN(CC1CCN(C(=O)CC2=NC([O-])=CS2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411392	0	41	-2.0	-103.46	360.37	-0.79	-104.25
CN(CC1CCN(C(=O)C2=C([O-])C=CC=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411417	0	42	-2.0	-115.01	360.93	2.70	-112.31
CN(CC1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411420	0	44	-2.0	-99.82	377.86	-0.23	-100.05
CN(CC1CCN(C(=O)C2=CC=C(F)C=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411423	0	42	-2.0	-110.54	355.94	3.34	-107.20
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC(CN(C)C(=O)C2=CC(=O)[N-]O2)C1	REAL300030411473	0	45	-2.0	-114.29	382.21	3.18	-111.11
CN(CC1CCN(C(=O)CC2SC(=O)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411570	0	42	-2.0	-91.01	370.74	-1.59	-92.60
CN(CC1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411603	0	42	-2.0	-100.23	361.48	2.48	-97.75
CN(CC1CCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411606	1	43	-2.0	-94.54	378.14	1.03	-93.51
CN(CC1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411612	0	42	-2.0	-120.65	364.51	3.94	-116.71
CC1=CC(=O)C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030411650	0	43	-2.0	-109.81	358.53	3.15	-106.66
CN(CC1CCN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411656	0	47	-2.0	-127.76	391.47	2.87	-124.89
CN(CC1CCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411690	0	42	-2.0	-126.95	360.70	2.92	-124.03
CN(CC1CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411737	0	42	-2.0	-108.26	370.66	0.85	-107.41
CN(CC1CCN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411738	0	44	-2.0	-102.80	381.22	-4.60	-107.40
CN(CC1CCN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411738	1	44	-2.0	-100.48	381.16	-4.55	-105.03
CN(CC1CCN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411769	0	44	-2.0	-99.92	374.07	3.90	-96.02
CN(CC1CCN(C(=O)C2=NN(C)C(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411814	0	41	-2.0	-108.73	347.58	-0.48	-109.21
CN(CC1CCN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411855	0	44	-2.0	-94.04	378.09	0.14	-93.90
CN(CC1CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411898	1	43	-2.0	-108.77	373.51	0.69	-108.08
CN(CC1CCN(C(=O)C2=CC=C(C#N)C=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411899	0	43	-2.0	-108.13	370.37	3.68	-104.45
CN(CC1CCN(C(=O)C2=CC(C#N)=CC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030411911	0	43	-2.0	-112.57	368.98	3.81	-108.76
CN(CC1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412051	0	42	-2.0	-96.74	366.97	0.46	-96.28
CN(CC1CCN(C(=O)C2=CC=C(F)C(O)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412126	0	42	-2.0	-107.05	352.44	2.20	-104.85
CN(CC1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412126	1	42	-2.0	-107.05	352.44	2.20	-104.85
CN(CC1CCN(C(=O)C2=C(O)C3=NC=CC=C3C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412135	0	47	-2.0	-125.03	389.66	3.82	-121.21
CN(CC1CCN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412135	1	47	-2.0	-125.03	389.66	3.82	-121.21
CN(CC1CCN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412139	0	44	-2.0	-108.17	376.84	4.04	-104.13
CN(CC1CCN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412142	0	44	-2.0	-107.48	376.29	4.05	-103.43
CN(CC1CCN(C(=O)C2=CC=C(Cl)C=C2O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412156	0	42	-2.0	-110.39	366.26	3.79	-106.60
CN(CC1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412156	1	42	-2.0	-110.39	366.26	3.79	-106.60
CN(CC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412265	0	40	-2.0	-95.69	342.88	-3.14	-98.83
CN(CC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412265	1	40	-2.0	-95.05	344.70	-2.36	-97.41
CN(CC1CCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412301	0	44	-2.0	-118.92	367.35	1.24	-117.68
CN(CC1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412344	1	47	-2.0	-115.30	389.83	5.38	-109.92
CN(CC1CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412345	0	38	-2.0	-93.82	348.01	0.17	-93.65
CN(CC1CCN(C(=O)C2=CN=C(N)[N-]C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412370	1	42	-2.0	-106.64	360.30	-0.36	-107.00
CC1=C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300030412404	0	45	-2.0	-87.79	381.59	2.55	-85.24
CN(CC1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412430	0	42	-2.0	-111.69	361.43	2.46	-109.23
CN(CC1CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412490	0	42	-2.0	-100.43	367.34	2.84	-97.59
CN(CC1CCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412496	1	43	-2.0	-98.11	375.28	2.08	-96.03
COC1=NC(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030412502	0	44	-2.0	-105.77	368.85	-2.14	-107.91
CN(CC1CCN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412505	0	44	-2.0	-105.42	376.39	1.02	-104.40
CN(CC1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412518	0	41	-2.0	-105.52	360.83	3.56	-101.96
CN(CC1CCN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412524	1	45	-2.0	-101.58	393.73	3.96	-97.62
CN(CC1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412565	0	42	-2.0	-92.06	362.23	2.70	-89.36
CN(CC1CCN(C(=O)C2=CC=NC=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412576	0	41	-2.0	-119.80	342.93	1.47	-118.33
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412586	0	38	-2.0	-96.13	328.07	-0.46	-96.59
CC1=C([O-])N=C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030412625	1	41	-2.0	-97.59	359.90	-0.07	-97.66
CN(CC1CCN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412680	1	48	-2.0	-124.68	399.48	4.85	-119.83
CN(CC1CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412700	1	48	-2.0	-116.27	395.09	5.63	-110.64
CN(CC1CCN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412708	1	48	-2.0	-120.40	395.72	5.57	-114.83
CN(CC1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412760	1	44	-2.0	-94.29	369.69	2.50	-91.79
CN(CC1CCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412798	0	41	-2.0	-109.89	363.80	0.49	-109.40
CN(CC1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412834	1	41	-2.0	-97.95	359.70	2.88	-95.07
CSC1=NC=C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030412860	1	44	-2.0	-107.40	388.24	0.80	-106.60
CN(CC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412869	0	42	-2.0	-97.86	361.34	-1.77	-99.63
CCN1[N-]C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030412954	0	45	-2.0	-97.45	377.53	1.98	-95.47
CN(CC1CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412977	0	42	-2.0	-96.47	355.72	1.05	-95.42
CN(CC1CCN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412991	1	45	-2.0	-125.11	380.58	0.56	-124.55
CN(CC1CCN(C(=O)CSC2=NNC(=O)[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030412995	0	42	-2.0	-103.12	371.31	-0.93	-104.05
CC1=C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300030412997	1	44	-2.0	-115.60	384.00	0.38	-115.22
CN(CC1CCN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413070	1	47	-2.0	-114.76	394.14	2.96	-111.80
CN(CC1CCN(C(=O)CC2=CC(=O)N[N-]2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413183	1	42	-2.0	-100.04	356.74	-0.15	-100.19
CN(CC1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413190	1	42	-2.0	-98.55	352.40	2.25	-96.30
CN(CC1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413255	0	42	-2.0	-97.29	358.36	2.32	-94.97
CN(CC1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413261	0	41	-2.0	-109.22	359.83	1.89	-107.33
CC1=C(CC(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300030413282	0	48	-2.0	-99.92	398.56	2.25	-97.67
CC1=CN=C(C(=O)N2CCC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030413333	1	44	-2.0	-124.41	363.17	3.69	-120.72
CN(CC1CCN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413349	0	43	-2.0	-110.18	382.24	0.33	-109.85
CN(CC1CCN(C(=O)C2=CC([O-])=CS2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413371	0	39	-2.0	-103.39	339.42	1.28	-102.11
CN(CC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413395	0	42	-2.0	-109.08	361.42	3.14	-105.94
CN(CC1CCN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1)C(=O)C1=CC(=O)[N-]O1	REAL300030413401	0	42	-2.0	-103.16	371.99	3.84	-99.32
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300030413455	0	42	-2.0	-100.58	365.74	0.45	-100.13
CN(CC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030413490	1	43	-2.0	-87.22	379.83	1.05	-86.17
C=CCC1(NC(=O)C2=COC(=O)[N-]2)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030413959	1	46	-2.0	-91.54	360.92	-1.20	-92.74
C=CCC1(NC(=O)C2=C[N-]N=CC2=O)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030414026	0	48	-2.0	-88.28	370.28	1.95	-86.33
C=CCC1(NC(=O)C2=CC(=O)N[N-]2)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030414048	0	47	-2.0	-90.40	367.13	1.07	-89.33
C=CCC1(NC(=O)C2=NC(=O)N[N-]2)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030414130	0	46	-2.0	-88.33	361.87	-0.29	-88.62
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C1=NC=CC=C1[O-]	REAL300030414413	1	49	-2.0	-99.09	379.14	5.12	-93.97
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C1=COC(=O)[N-]1	REAL300030414711	1	46	-2.0	-96.45	360.94	-0.02	-96.47
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C1=C[N-]N=CC1=O	REAL300030414752	0	48	-2.0	-94.21	378.94	1.68	-92.53
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C1=CC(=O)N[N-]1	REAL300030414788	0	47	-2.0	-86.32	367.38	1.39	-84.93
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C1=NC(=O)N[N-]1	REAL300030414806	0	46	-2.0	-84.49	362.17	0.64	-83.85
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C1=CN=CC([O-])=C1	REAL300030414870	1	49	-2.0	-91.21	380.14	2.49	-88.72
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C1=CC=NC=C1[O-]	REAL300030415008	0	49	-2.0	-98.23	375.79	2.37	-95.86
C=CCC1(NC(=O)C2=CC(=O)[N-]O2)CC2CCC(C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030415010	0	46	-2.0	-93.02	360.50	0.27	-92.75
C[C@]1(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030415613	1	47	-2.0	-103.78	386.57	1.63	-102.15
C[C@]1(CNC(=O)CCCN2C(=O)[N-]NC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416325	0	48	-2.0	-98.79	398.51	-0.66	-99.45
C[C@]1(CNC(=O)CCC2=NNC(=O)[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416564	0	46	-2.0	-99.11	386.76	-3.45	-102.56
CC(=O)[N-]C1=NC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300030416565	1	44	-2.0	-95.47	380.39	0.08	-95.39
C[C@]1(CNC(=O)CCN2C=C[N-]C(=O)C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416744	1	47	-2.0	-113.63	392.51	0.69	-112.94
COC1=C(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300030416866	1	45	-2.0	-99.00	375.44	-2.42	-101.42
C[C@]1(CNC(=O)C2=NNC(=O)[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030416993	0	40	-2.0	-99.74	341.77	-3.54	-103.28
C[C@]1(CNC(=O)CN2C(=O)[N-]NC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030417121	0	42	-2.0	-106.78	356.54	-1.94	-108.72
C[C@]1(CNC(=O)C2=CN([O-])C(=O)C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418076	0	42	-2.0	-108.76	352.91	2.60	-106.16
C[C@]1(CNC(=O)C2=CC(=O)NC([O-])=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418260	0	42	-2.0	-94.97	353.36	-2.33	-97.30
C[C@]1(CNC(=O)C2=COC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418273	1	38	-2.0	-98.93	325.44	-2.47	-101.40
C[C@]1(C[N-]C(=O)C(F)(F)C(F)(F)F)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418404	1	37	-2.0	-96.76	328.88	2.23	-94.53
CCN1[N-]C(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030418524	0	45	-2.0	-100.09	375.00	1.21	-98.88
C[C@]1(CNC(=O)CC2=CC(=O)N[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418533	1	42	-2.0	-103.78	350.94	-0.84	-104.62
C[C@]1(CNC(=O)C2=CC=CC(=S)N2[O-])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418558	0	42	-2.0	-129.19	361.90	4.56	-124.63
C[C@]1(CNC(=O)CC2SC(=O)[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418574	0	42	-2.0	-91.73	364.70	-2.28	-94.01
CN1N=C(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030418593	0	41	-2.0	-102.67	347.46	-1.27	-103.94
C[C@]1(CNC(=O)C2=C[N-]N=CC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418721	0	40	-2.0	-92.34	334.37	0.54	-91.80
C[C@]1(CNC(=O)C2=CC=C3N=NN([O-])C3=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418761	0	44	-2.0	-105.32	369.46	1.10	-104.22
C[C@]1(CNC(=O)C2=CC(=O)N[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418868	0	39	-2.0	-96.73	330.27	-1.48	-98.21
C[C@]1(CNC(=O)C(=O)[PH](C)(C)[O-])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418873	0	44	-2.0	-96.11	364.96	-0.06	-96.17
CN1[N-]C(CC(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030418876	0	45	-2.0	-106.68	373.77	0.88	-105.80
C[C@]1(CNC(=O)CCC2=NC(=O)[N-]N2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418915	1	44	-2.0	-107.49	366.80	-1.85	-109.34
C[C@]1(CNC(=O)C2=CC=CN([O-])C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418924	0	42	-2.0	-121.91	338.38	3.81	-118.10
CSC1=NC=C(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030418945	1	44	-2.0	-100.34	376.51	0.43	-99.91
CC1=C([O-])N=C(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300030418971	1	41	-2.0	-105.74	356.98	-1.37	-107.11
C[C@]1(CNC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030418994	1	41	-2.0	-93.35	360.36	1.79	-91.56
C[C@]1(CNC(=O)C2=CC(=O)N([O-])C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419019	0	42	-2.0	-109.54	353.22	2.56	-106.98
C[C@]1(CNC(=O)C2=CC=CC(=O)N2[O-])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419084	0	42	-2.0	-127.53	350.79	3.52	-124.01
C[C@]1(CNC(=O)C[N-]C(=O)C(F)(F)F)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419268	0	41	-2.0	-98.38	360.88	-1.67	-100.05
C[C@]1(CNC(=O)CC2=C([O-])N=C(N)S2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419269	0	43	-2.0	-122.83	371.60	-2.43	-125.26
C[C@]1(CNC(=O)CC2=NC([O-])=CS2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419335	0	41	-2.0	-116.88	356.78	-1.56	-118.44
CCC1=NC=C(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030419362	1	46	-2.0	-99.57	375.27	0.92	-98.65
C[C@]1(CNC(=O)CN2N=CC(=O)[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419375	0	43	-2.0	-109.85	366.29	-2.99	-112.84
C[C@]1(CNC(=O)C2=C(Cl)C(=O)[N-]S2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419460	0	38	-2.0	-96.11	347.77	-0.18	-96.29
COCC1=NC=C(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030419579	0	47	-2.0	-100.38	388.19	-0.84	-101.22
COCC1=NC=C(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030419579	1	47	-2.0	-100.38	388.19	-0.84	-101.22
CC1=CC(=O)C(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030419686	0	43	-2.0	-102.58	358.93	2.31	-100.27
C[C@]1(CNC(=O)C2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419705	0	38	-2.0	-99.69	324.70	-2.94	-102.63
C[C@]1(CNC(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419731	0	43	-2.0	-94.99	367.40	1.52	-93.47
C[C@]1(CNC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419731	1	43	-2.0	-94.99	367.40	1.52	-93.47
C[C@]1(CNC(=O)C2=CN=C(C=N[O-])S2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030419879	0	41	-2.0	-104.71	365.59	0.10	-104.61
COC1=NC(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030419900	0	44	-2.0	-100.00	370.93	-3.46	-103.46
CN1[N-]C(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030420132	0	42	-2.0	-101.40	353.47	0.13	-101.27
C[C@]1(CNC(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420142	1	45	-2.0	-110.86	375.73	0.65	-110.21
C[C@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420145	0	42	-2.0	-99.76	367.74	-1.72	-101.48
CC1=C(C(=O)NC[C@@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300030420146	1	44	-2.0	-96.32	380.70	-0.43	-96.75
C[C@]1(CNC(=O)C2=NC(=O)[N-]C(=O)N2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420375	0	40	-2.0	-100.96	343.91	-4.62	-105.58
C[C@]1(CNC(=O)C2=NC(=O)NC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420375	1	40	-2.0	-95.88	344.48	-3.85	-99.73
C[C@]1(CNC(=O)COC2=NC(=O)[N-]C(=O)N2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420454	0	44	-2.0	-101.42	377.65	-5.42	-106.84
C[C@]1(CNC(=O)COC2=NC(=O)NC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420454	1	44	-2.0	-94.09	377.60	-5.27	-99.36
C[C@]1(CNC(=O)CN2[N-]C(=O)C=CC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030420607	0	44	-2.0	-104.86	372.45	-0.99	-105.85
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC=CC=C1[O-]	REAL300030420864	1	41	-2.0	-110.29	342.42	2.38	-107.91
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300030420980	1	47	-2.0	-96.73	394.59	0.71	-96.02
CC(=O)[N-]C1=NC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300030420992	1	44	-2.0	-94.25	380.67	0.56	-93.69
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300030421020	0	40	-2.0	-100.35	341.22	-3.34	-103.69
COC1=C(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300030421069	1	45	-2.0	-104.57	371.90	-1.76	-106.33
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300030421229	0	42	-2.0	-104.85	358.73	-1.93	-106.78
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCCN1C(=O)[N-]NC1=O	REAL300030422147	0	48	-2.0	-100.96	401.25	-0.70	-101.66
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300030422348	1	47	-2.0	-106.49	386.82	1.71	-104.78
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300030423120	0	46	-2.0	-96.52	388.85	-3.44	-99.96
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300030423128	0	44	-2.0	-106.56	367.95	3.94	-102.62
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300030423142	1	42	-2.0	-115.11	357.22	3.87	-111.24
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300030423173	1	43	-2.0	-94.56	362.84	2.35	-92.21
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(N)C(Cl)=C1[O-]	REAL300030423199	0	44	-2.0	-120.99	369.33	1.85	-119.14
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300030423250	0	44	-2.0	-126.45	366.73	4.66	-121.79
CCC1=NC=C(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030423279	1	46	-2.0	-104.22	375.87	1.06	-103.16
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=COC(=O)[N-]1	REAL300030423300	1	38	-2.0	-94.48	325.16	-1.20	-95.68
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300030423401	0	41	-2.0	-96.98	363.89	-1.53	-98.51
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300030423402	0	43	-2.0	-108.51	374.42	-2.43	-110.94
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C=C1F	REAL300030423429	1	42	-2.0	-104.58	347.53	2.15	-102.43
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300030423438	0	41	-2.0	-94.67	349.99	1.23	-93.44
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300030423448	1	43	-2.0	-108.72	364.16	2.46	-106.26
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300030423454	0	41	-2.0	-113.89	351.47	2.05	-111.84
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1	REAL300030423457	0	44	-2.0	-97.65	378.35	-0.55	-98.20
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300030423473	0	43	-2.0	-100.81	369.08	-3.04	-103.85
CC1=CC=C([O-])C(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030423559	1	44	-2.0	-110.02	363.22	3.02	-107.00
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300030423583	0	40	-2.0	-96.28	334.35	0.74	-95.54
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300030423594	0	42	-2.0	-127.06	345.91	3.45	-123.61
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC([O-])=C1F	REAL300030423711	1	42	-2.0	-123.18	346.23	2.06	-121.12
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300030423782	0	44	-2.0	-109.69	369.89	3.86	-105.83
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300030423845	0	39	-2.0	-95.94	330.15	-1.09	-97.03
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300030423852	0	44	-2.0	-100.68	365.04	0.06	-100.62
CN1[N-]C(CC(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030423856	0	45	-2.0	-104.97	376.73	0.87	-104.10
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(=O)C=C([O-])C1=CC=CC=N1	REAL300030423879	0	47	-2.0	-110.46	397.93	3.48	-106.98
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(N)=C(F)C([O-])=C1F	REAL300030423907	0	44	-2.0	-121.71	367.86	0.12	-121.59
COCC1=NC=C(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030423912	1	47	-2.0	-105.13	388.79	-0.70	-105.83
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=CC(F)=C1[O-]	REAL300030423938	0	42	-2.0	-115.89	353.37	3.50	-112.39
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300030423965	0	42	-2.0	-116.59	350.20	2.78	-113.81
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL300030423998	0	42	-2.0	-112.66	358.78	2.16	-110.50
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC(=O)N[N-]1	REAL300030424000	0	38	-2.0	-98.28	325.27	-2.04	-100.32
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CN([O-])C1=O	REAL300030424012	0	42	-2.0	-116.43	351.34	2.79	-113.64
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC(N)=CC(=O)[N-]1	REAL300030424148	0	42	-2.0	-104.94	353.82	-1.48	-106.42
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300030424212	0	42	-2.0	-99.68	359.93	2.61	-97.07
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300030424218	1	42	-2.0	-113.96	347.01	3.42	-110.54
CC1=CC=NC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300030424303	1	44	-2.0	-108.06	362.42	3.06	-105.00
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300030424359	0	42	-2.0	-122.43	362.06	3.95	-118.48
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=CC([O-])=C1	REAL300030424471	1	41	-2.0	-110.64	336.80	0.11	-110.53
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300030424483	0	42	-2.0	-118.16	362.22	3.54	-114.62
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300030424636	1	44	-2.0	-98.83	370.40	0.50	-98.33
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300030424640	0	41	-2.0	-93.53	360.80	1.28	-92.25
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300030424703	1	42	-2.0	-102.19	355.90	2.59	-99.60
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300030424705	0	45	-2.0	-112.08	374.61	1.65	-110.43
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=NC([O-])=CS1	REAL300030424715	0	41	-2.0	-108.91	359.50	-1.58	-110.49
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300030424738	0	44	-2.0	-105.18	374.72	-0.95	-106.13
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300030424741	0	42	-2.0	-118.20	347.21	3.43	-114.77
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300030424860	0	42	-2.0	-96.22	367.25	-2.35	-98.57
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300030424887	0	42	-2.0	-106.92	353.25	2.18	-104.74
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030424890	1	43	-2.0	-95.29	367.51	0.85	-94.44
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300030424895	0	42	-2.0	-120.72	355.71	3.93	-116.79
CC1=CC(=O)C(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030424928	0	43	-2.0	-102.34	359.15	2.48	-99.86
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300030424933	0	47	-2.0	-112.12	391.18	2.23	-109.89
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300030424961	0	42	-2.0	-116.65	351.11	2.85	-113.80
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300030424997	0	42	-2.0	-97.90	360.87	0.57	-97.33
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300030424998	0	44	-2.0	-99.05	380.66	-5.30	-104.35
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300030424998	1	44	-2.0	-95.13	380.60	-5.24	-100.37
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300030425027	0	44	-2.0	-98.55	371.10	3.49	-95.06
CN1N=C(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030425067	0	41	-2.0	-105.14	347.94	-1.07	-106.21
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300030425101	0	44	-2.0	-101.09	370.15	-0.15	-101.24
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300030425143	0	43	-2.0	-109.82	361.71	3.77	-106.05
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300030425264	0	42	-2.0	-102.06	356.29	0.24	-101.82
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300030425301	0	42	-2.0	-110.84	363.49	3.92	-106.92
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300030425328	1	42	-2.0	-113.98	350.16	2.09	-111.89
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300030425336	1	47	-2.0	-130.47	382.03	3.83	-126.64
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300030425340	0	44	-2.0	-114.87	369.10	4.02	-110.85
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300030425343	0	44	-2.0	-105.45	369.24	4.03	-101.42
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300030425354	1	42	-2.0	-118.11	357.42	3.87	-114.24
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300030425368	0	44	-2.0	-95.17	370.07	2.62	-92.55
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300030425440	0	40	-2.0	-98.93	343.57	-3.70	-102.63
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300030425440	1	40	-2.0	-94.67	344.24	-2.91	-97.58
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300030425467	0	44	-2.0	-118.66	364.43	1.06	-117.60
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300030425504	1	47	-2.0	-113.55	387.35	4.74	-108.81
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300030425505	0	38	-2.0	-97.32	345.62	-0.51	-97.83
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300030425524	1	42	-2.0	-104.85	349.41	-0.59	-105.44
CC1=C(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300030425555	0	45	-2.0	-90.58	379.72	2.05	-88.53
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(F)C([O-])=C1F	REAL300030425575	0	42	-2.0	-121.98	352.45	2.12	-119.86
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300030425632	0	42	-2.0	-100.54	363.86	2.66	-97.88
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030425636	1	43	-2.0	-96.97	361.86	1.47	-95.50
COC1=NC(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030425642	0	44	-2.0	-102.83	369.15	-2.68	-105.51
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300030425644	0	44	-2.0	-101.25	366.07	0.87	-100.38
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300030425652	0	41	-2.0	-104.20	358.34	2.93	-101.27
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300030425658	1	45	-2.0	-104.88	390.70	3.25	-101.63
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300030425691	0	42	-2.0	-109.93	359.94	2.60	-107.33
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=NC=C1[O-]	REAL300030425701	0	41	-2.0	-120.99	334.65	1.61	-119.38
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030425708	0	38	-2.0	-99.73	325.01	-1.00	-100.73
CC1=C([O-])N=C(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030425742	1	41	-2.0	-101.63	356.99	-0.57	-102.20
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300030425810	1	48	-2.0	-124.03	386.13	5.70	-118.33
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300030425818	1	48	-2.0	-129.95	386.80	5.69	-124.26
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300030425861	1	44	-2.0	-95.97	367.74	1.95	-94.02
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300030425891	0	41	-2.0	-111.59	359.91	0.17	-111.42
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300030425921	1	41	-2.0	-93.96	360.41	2.32	-91.64
CSC1=NC=C(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030425945	1	44	-2.0	-104.84	377.24	0.59	-104.25
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300030425953	0	42	-2.0	-100.55	347.70	-2.36	-102.91
CCN1[N-]C(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030426030	0	45	-2.0	-101.89	374.99	1.37	-100.52
CN1[N-]C(C(=O)N2CCC[C@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030426048	0	42	-2.0	-101.16	353.43	0.47	-100.69
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300030426063	0	42	-2.0	-98.47	370.75	-1.53	-100.00
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC(=O)N[N-]1	REAL300030426212	1	42	-2.0	-102.99	353.89	-0.85	-103.84
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300030426219	1	42	-2.0	-103.79	350.14	2.13	-101.66
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300030426272	0	42	-2.0	-103.36	354.27	2.14	-101.22
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C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CS1	REAL300030426371	0	39	-2.0	-116.21	333.91	1.03	-115.18
C[C@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300030426391	0	42	-2.0	-116.89	350.05	2.76	-114.13
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COC1=NC(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=CC(=O)[N-]1	REAL300030429613	0	45	-2.0	-88.84	377.47	-3.73	-92.57
CN1[N-]C(C(=O)NC23CC2CCN(C(=O)C2=CC(=O)[N-]O2)CC3)=CC1=O	REAL300030429770	0	43	-2.0	-92.21	351.66	-0.22	-92.43
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O=C(CN1[N-]C(=O)C=CC1=O)NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2	REAL300030430069	0	45	-2.0	-97.50	370.98	-1.29	-98.79
O=C(NC12CC1CCN(C(=O)C1=NC=CC=C1O)CC2)C1=CC(=O)[N-]O1	REAL300030430322	0	42	-2.0	-105.37	342.39	2.22	-103.15
O=C(NC12CC1CCN(C(=O)C1=NC=CC=C1[O-])CC2)C1=CC(=O)[N-]O1	REAL300030430322	1	42	-2.0	-105.37	342.39	2.22	-103.15
O=C(NC12CC1CCN(C(=O)C1=NNC(=O)[N-]C1=O)CC2)C1=CC(=O)[N-]O1	REAL300030430457	0	41	-2.0	-96.16	341.75	-3.73	-99.89
O=C(CN1C(=O)[N-]NC1=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030430650	0	43	-2.0	-96.98	364.75	-1.85	-98.83
O=C(NC12CC1CCN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)CC2)C1=CC(=O)[N-]O1	REAL300030431614	1	48	-2.0	-92.70	384.56	1.03	-91.67
O=C(NC12CC1CCN(C(=O)C1=CC(Cl)=CC=C1[O-])CC2)C1=CC(=O)[N-]O1	REAL300030432302	1	43	-2.0	-103.86	366.20	2.43	-101.43
N#CC1=CC([O-])=CC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030432329	1	44	-2.0	-89.33	377.24	2.15	-87.18
CCC1=NC=C(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300030432428	1	47	-2.0	-91.23	373.51	0.44	-90.79
O=C(NC12CC1CCN(C(=O)C1=COC(=O)[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300030432448	1	39	-2.0	-82.20	331.67	-1.04	-83.24
O=C(C[N-]C(=O)C(F)(F)F)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432525	0	42	-2.0	-90.05	362.08	-1.73	-91.78
NC1=NC([O-])=C(CC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030432526	0	44	-2.0	-107.08	381.74	-2.32	-109.40
O=C(NC12CC1CCN(C(=O)C1=C(F)C=C([O-])C=C1F)CC2)C1=CC(=O)[N-]O1	REAL300030432536	0	43	-2.0	-85.13	372.25	2.05	-83.08
O=C(NC12CC1CCN(C(=O)C1=CC=C([O-])C=C1F)CC2)C1=CC(=O)[N-]O1	REAL300030432552	1	43	-2.0	-94.35	354.70	1.68	-92.67
O=C(NC12CC1CCN(C(=O)C1=CC([O-])=CC(=O)O1)CC2)C1=CC(=O)[N-]O1	REAL300030432558	0	42	-2.0	-89.22	351.43	0.99	-88.23
N#CC1=CC=C(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C=C1[O-]	REAL300030432567	1	44	-2.0	-91.30	367.55	2.00	-89.30
O=C(NC12CC1CCN(C(=O)C1=CC(Cl)=NC=C1[O-])CC2)C1=CC(=O)[N-]O1	REAL300030432571	0	42	-2.0	-100.21	358.06	0.97	-99.24
N#CC1=CC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)=C(N)[N-]C1=O	REAL300030432577	0	45	-2.0	-90.76	380.58	-1.12	-91.88
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432594	0	44	-2.0	-99.61	376.43	-2.94	-102.55
CC1=CC=C([O-])C(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300030432665	1	45	-2.0	-107.81	363.33	2.90	-104.91
O=C(CCC1=NNC(=O)[N-]1)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432667	0	45	-2.0	-91.96	375.10	-1.19	-93.15
O=C(NC12CC1CCN(C(=O)C1=C[N-]N=CC1=O)CC2)C1=CC(=O)[N-]O1	REAL300030432686	0	41	-2.0	-94.38	343.12	0.19	-94.19
O=C(NC12CC1CCN(C(=O)C1=CC=CC(F)=C1[O-])CC2)C1=CC(=O)[N-]O1	REAL300030432697	0	43	-2.0	-112.68	356.11	1.84	-110.84
O=C(NC12CC1CCN(C(=O)C1=CC=CC([O-])=C1F)CC2)C1=CC(=O)[N-]O1	REAL300030432801	1	43	-2.0	-107.13	355.94	1.71	-105.42
O=C(NC12CC1CCN(C(=O)C1=CC(=O)N[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300030432926	0	40	-2.0	-90.45	328.65	-1.34	-91.79
C[PH](C)([O-])C(=O)C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030432932	0	45	-2.0	-87.84	363.32	-0.38	-88.22
CN1[N-]C(CC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030432937	0	46	-2.0	-100.57	383.91	0.99	-99.58
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O=C(NC12CC1CCN(C(=O)C1=CC(=O)N([O-])C=C1)CC2)C1=CC(=O)[N-]O1	REAL300030433040	0	43	-2.0	-100.61	353.33	2.09	-98.52
O=C(NC12CC1CCN(C(=O)C1=NC(=O)N[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300030433069	0	39	-2.0	-91.90	323.37	-1.93	-93.83
O=C(NC12CC1CCN(C(=O)C1=C([O-])C=CC=C1Cl)CC2)C1=CC(=O)[N-]O1	REAL300030433073	1	43	-2.0	-94.27	377.20	2.45	-91.82
O=C(NC12CC1CCN(C(=O)C1=CC=CN([O-])C1=O)CC2)C1=CC(=O)[N-]O1	REAL300030433078	0	43	-2.0	-123.48	358.65	2.30	-121.18
O=C(NC12CC1CCN(C(=O)C1=C(F)C=CC([O-])=C1F)CC2)C1=CC(=O)[N-]O1	REAL300030433108	1	43	-2.0	-100.61	365.55	1.83	-98.78
NC1=CC(=O)[N-]C(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300030433206	0	43	-2.0	-94.93	362.13	-1.78	-96.71
O=C(NC12CC1CCN(C(=O)C1=CC=C([O-])C(Cl)=C1)CC2)C1=CC(=O)[N-]O1	REAL300030433265	0	43	-2.0	-90.33	363.37	2.14	-88.19
O=C(NC12CC1CCN(C(=O)C1=CC(F)=CC=C1[O-])CC2)C1=CC(=O)[N-]O1	REAL300030433270	1	43	-2.0	-102.86	355.88	1.98	-100.88
CC1=CC=NC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)=C1[O-]	REAL300030433337	1	45	-2.0	-106.17	362.56	2.86	-103.31
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N#CC1=CC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)=C([O-])C=C1N	REAL300030433654	0	46	-2.0	-93.82	391.02	0.28	-93.54
O=C(CC1=NC([O-])=CS1)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030433664	0	42	-2.0	-109.86	365.06	-1.47	-111.33
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O=C(CN1[N-]C(=O)C=CC1=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030433681	0	45	-2.0	-97.48	380.32	-0.84	-98.32
O=C(NC12CC1CCN(C(=O)C1=CC=C(F)C=C1[O-])CC2)C1=CC(=O)[N-]O1	REAL300030433683	0	43	-2.0	-108.15	354.47	2.07	-106.08
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC2CC2(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030433723	0	46	-2.0	-115.93	376.94	2.36	-113.57
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CC1=CC(=O)C(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300030433862	0	44	-2.0	-97.02	358.86	2.15	-94.87
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CN1N=C(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300030433978	0	42	-2.0	-96.76	346.14	-1.19	-97.95
[N-]=[N+]=NC1=CC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)=CC=C1[O-]	REAL300030434004	0	45	-2.0	-91.15	375.65	-0.58	-91.73
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O=C(NC12CC1CCN(C(=O)C1=CC=C3N=NN([O-])C3=C1)CC2)C1=CC(=O)[N-]O1	REAL300030434330	0	45	-2.0	-103.73	367.51	0.59	-103.14
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NC1=NC=C(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300030434379	1	43	-2.0	-91.73	346.94	-1.20	-92.93
CC1=C(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)[N-]C(=O)C(C#N)=C1	REAL300030434405	0	46	-2.0	-88.58	381.76	1.68	-86.90
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COC1=NC(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)=CC(=O)[N-]1	REAL300030434473	0	45	-2.0	-93.29	362.37	-2.92	-96.21
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CC1=C([O-])N=C(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030434566	1	42	-2.0	-100.04	364.16	-0.36	-100.40
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CCN1[N-]C(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030434805	0	46	-2.0	-87.97	381.10	1.47	-86.50
CN1[N-]C(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030434827	0	43	-2.0	-93.26	351.33	0.36	-92.90
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CC1=C(CC(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N(C)[N-]1	REAL300030435067	0	49	-2.0	-100.87	402.57	1.65	-99.22
CC1=CN=C(C(=O)N2CCC3CC3(NC(=O)C3=CC(=O)[N-]O3)CC2)C([O-])=C1	REAL300030435105	1	45	-2.0	-107.49	363.18	2.87	-104.62
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O=C(NC12CC1CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CN([O-])C(=O)NC1=O	REAL300030435179	0	43	-2.0	-86.14	358.30	-0.01	-86.15
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O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NNC(=O)[N-]C1=O	REAL300030436624	0	41	-2.0	-93.73	357.28	-3.75	-97.48
O=C(CN1C(=O)[N-]NC1=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030436726	0	43	-2.0	-97.90	368.33	-1.82	-99.72
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)C=C1	REAL300030437433	0	43	-2.0	-106.72	369.69	2.42	-104.30
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)NC([O-])=C1	REAL300030437564	0	43	-2.0	-88.46	370.16	-2.50	-90.96
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=COC(=O)[N-]1	REAL300030437575	1	39	-2.0	-86.88	341.12	-2.64	-89.52
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CCN1[N-]C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030437768	0	46	-2.0	-91.37	390.27	0.97	-90.40
O=C(CC1=CC(=O)N[N-]1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030437776	1	43	-2.0	-99.51	367.72	-1.02	-100.53
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=S)N1[O-]	REAL300030437796	0	43	-2.0	-121.32	372.49	4.70	-116.62
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CN1N=C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300030437824	0	42	-2.0	-94.62	363.05	-1.47	-96.09
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C[PH](C)([O-])C(=O)C(=O)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438047	0	45	-2.0	-90.41	379.69	-0.18	-90.59
O=C(CCC1=NC(=O)NN1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438079	0	45	-2.0	-99.30	382.98	-1.98	-101.28
O=C(CCC1=NC(=O)[N-]N1)NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030438079	1	45	-2.0	-99.30	382.98	-1.98	-101.28
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CN([O-])C1=O	REAL300030438084	0	43	-2.0	-98.07	366.24	2.59	-95.48
CC1SC(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300030438119	0	42	-2.0	-92.61	372.27	-1.55	-94.16
CC1=C([O-])N=C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030438119	1	42	-2.0	-92.61	372.27	-1.55	-94.16
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NC1=NC([O-])=C(CC(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030438335	0	44	-2.0	-110.99	388.38	-2.61	-113.60
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CCC1=NC=C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300030438408	0	47	-2.0	-84.90	390.92	0.85	-84.05
CCC1=NC=C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030438408	1	47	-2.0	-84.90	390.92	0.85	-84.05
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CC1=CC(=O)C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300030438659	0	44	-2.0	-90.66	374.66	2.13	-88.53
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CN1[N-]C(C(=O)NC2CC3(C2)CCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030439004	0	43	-2.0	-90.48	364.12	0.32	-90.16
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O=C(NC1CC2(C1)CCN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030440902	1	48	-2.0	-98.33	407.01	1.52	-96.81
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(Cl)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030441590	1	43	-2.0	-96.31	374.69	3.69	-92.62
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CCC1=NC=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030441716	1	47	-2.0	-101.13	401.45	0.61	-100.52
O=C(NC1CC2(C1)CCN(C(=O)C1=COC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030441736	1	39	-2.0	-87.26	340.61	-1.46	-88.72
O=C(C[N-]C(=O)C(F)(F)F)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441813	0	42	-2.0	-95.94	375.03	-1.45	-97.39
NC1=NC([O-])=C(CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300030441814	0	44	-2.0	-104.72	385.02	-2.26	-106.98
O=C(NC1CC2(C1)CCN(C(=O)C1=C(F)C=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300030441824	0	43	-2.0	-86.68	377.35	2.15	-84.53
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300030441840	1	43	-2.0	-91.01	364.59	1.95	-89.06
O=C(NC1CC2(C1)CCN(C(=O)C1=CC([O-])=CC(=O)O1)C2)C1=CC(=O)[N-]O1	REAL300030441846	0	42	-2.0	-90.04	361.27	1.36	-88.68
N#CC1=CC=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1[O-]	REAL300030441855	1	44	-2.0	-89.60	377.32	2.20	-87.40
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(Cl)=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030441859	0	42	-2.0	-95.16	370.36	1.74	-93.42
N#CC1=CC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C(N)[N-]C1=O	REAL300030441865	0	45	-2.0	-88.52	393.51	-0.88	-89.40
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030441882	0	44	-2.0	-95.75	379.70	-2.87	-98.62
CC1=CC=C([O-])C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300030441953	1	45	-2.0	-100.98	374.55	3.25	-97.73
O=C(NC1CC2(C1)CCN(C(=O)C1=C[N-]N=CC1=O)C2)C1=CC(=O)[N-]O1	REAL300030441974	0	41	-2.0	-88.05	355.06	0.53	-87.52
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030441985	0	43	-2.0	-105.01	368.83	2.99	-102.02
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030442089	1	43	-2.0	-101.24	369.08	1.68	-99.56
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030442214	0	40	-2.0	-88.68	341.05	-1.05	-89.73
C[PH](C)([O-])C(=O)C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442220	0	45	-2.0	-87.02	379.38	0.00	-87.02
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300030442328	0	43	-2.0	-98.70	372.07	2.69	-96.01
O=C(NC1CC2(C1)CCN(C(=O)C1=NNC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030442357	0	39	-2.0	-90.83	340.38	-2.81	-93.64
O=C(NC1CC2(C1)CCN(C(=O)C1=C(O)C=CC=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300030442361	0	43	-2.0	-96.74	386.19	2.33	-94.41
O=C(NC1CC2(C1)CCN(C(=O)C1=C([O-])C=CC=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300030442361	1	43	-2.0	-96.74	386.19	2.33	-94.41
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=CN([O-])C1=O)C2)C1=CC(=O)[N-]O1	REAL300030442366	0	43	-2.0	-113.05	371.37	2.65	-110.40
O=C(NC1CC2(C1)CCN(C(=O)C1=C(F)C=CC(O)=C1F)C2)C1=CC(=O)[N-]O1	REAL300030442396	0	43	-2.0	-93.71	377.74	2.19	-91.52
O=C(NC1CC2(C1)CCN(C(=O)C1=C(F)C=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030442396	1	43	-2.0	-93.71	377.74	2.19	-91.52
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(F)=CC=C1O)C2)C1=CC(=O)[N-]O1	REAL300030442558	0	43	-2.0	-95.88	364.37	3.23	-92.65
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(F)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030442558	1	43	-2.0	-95.88	364.37	3.23	-92.65
CC1=CC=NC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C1O	REAL300030442625	0	45	-2.0	-100.27	373.27	3.35	-96.92
CC1=CC=NC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C1[O-]	REAL300030442625	1	45	-2.0	-100.27	373.27	3.35	-96.92
O=C(NC1CC2(C1)CCN(C(=O)C1=CN=CC(O)=C1)C2)C1=CC(=O)[N-]O1	REAL300030442756	0	42	-2.0	-93.82	350.48	-0.13	-93.95
O=C(NC1CC2(C1)CCN(C(=O)C1=CN=CC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030442756	1	42	-2.0	-93.82	350.48	-0.13	-93.95
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=CC(=S)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300030442766	0	43	-2.0	-112.72	386.90	2.83	-109.89
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=C([O-])C(Cl)=N1)C2)C1=CC(=O)[N-]O1	REAL300030442894	0	42	-2.0	-86.78	371.24	1.48	-85.30
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=C([O-])C=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300030442940	1	43	-2.0	-90.12	373.25	2.38	-87.74
N#CC1=CC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C([O-])C=C1N	REAL300030442942	0	46	-2.0	-95.20	391.75	1.47	-93.73
O=C(CC1=NC([O-])=CS1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442952	0	42	-2.0	-109.91	376.49	-1.58	-111.49
O=C(NC1CC2(C1)CCN(C(=O)C1=C([O-])C=CC=C1F)C2)C1=CC(=O)[N-]O1	REAL300030442967	0	43	-2.0	-98.02	376.70	1.95	-96.07
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030442969	0	45	-2.0	-106.41	386.69	-0.76	-107.17
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=C(F)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030442971	0	43	-2.0	-97.68	364.37	3.25	-94.43
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443011	0	46	-2.0	-100.31	390.26	2.72	-97.59
O=C(CC1SC(=O)[N-]C1=O)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443086	0	43	-2.0	-87.98	382.89	-2.39	-90.37
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=C([O-])C(F)=C1F)C2)C1=CC(=O)[N-]O1	REAL300030443112	0	43	-2.0	-92.36	370.67	2.01	-90.35
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030443119	0	43	-2.0	-99.80	378.63	3.45	-96.35
CC1=CC(=O)C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=N[N-]1	REAL300030443150	0	44	-2.0	-94.15	374.13	2.45	-91.70
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030443154	0	48	-2.0	-118.94	402.56	2.30	-116.64
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=CC(=O)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300030443178	0	43	-2.0	-110.11	375.79	2.19	-107.92
N#CC1=CC=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030443211	0	43	-2.0	-91.50	381.10	0.37	-91.13
CN1N=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300030443266	0	42	-2.0	-94.58	358.50	-0.87	-95.45
[N-]=[N+]=NC1=CC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=CC=C1[O-]	REAL300030443292	0	45	-2.0	-89.04	383.71	-0.42	-89.46
O=C(NC1CC2(C1)CCN(C(=O)C1=C(F)C=CC(O)=C1O)C2)C1=CC(=O)[N-]O1	REAL300030443328	0	44	-2.0	-97.99	382.11	0.29	-97.70
O=C(NC1CC2(C1)CCN(C(=O)C1=C(F)C=CC(O)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030443328	1	44	-2.0	-97.99	382.11	0.29	-97.70
N#CC1=CC=C([O-])C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030443338	0	44	-2.0	-93.35	378.81	3.61	-89.74
O=C(NC1CC2(C1)CCN(C(=O)C1=CN([O-])C(=O)NC1=O)C2)C1=CC(=O)[N-]O1	REAL300030443440	0	43	-2.0	-93.33	381.78	-0.20	-93.53
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=C(F)C(O)=C1)C2)C1=CC(=O)[N-]O1	REAL300030443499	0	43	-2.0	-93.55	363.38	1.83	-91.72
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=C(F)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030443499	1	43	-2.0	-93.55	363.38	1.83	-91.72
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=C(Cl)C=C1O)C2)C1=CC(=O)[N-]O1	REAL300030443519	0	43	-2.0	-97.65	374.69	3.69	-93.96
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=C(Cl)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030443519	1	43	-2.0	-97.65	374.69	3.69	-93.96
O=C(NC1CC2(C1)CCN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2)C1=CC(=O)[N-]O1	REAL300030443597	0	41	-2.0	-91.46	353.51	-3.55	-95.01
O=C(NC1CC2(C1)CCN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030443597	1	41	-2.0	-90.40	355.02	-2.92	-93.32
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2)C1=CC(=O)[N-]O1	REAL300030443618	0	45	-2.0	-93.42	383.11	0.52	-92.90
O=C(NC1CC2(C1)CCN(C(=O)C1=C(Cl)C(=O)[N-]S1)C2)C1=CC(=O)[N-]O1	REAL300030443649	0	39	-2.0	-90.51	361.15	-0.67	-91.18
NC1=NC=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030443667	1	43	-2.0	-99.29	364.44	-0.61	-99.90
CC1=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C(=O)C(C#N)=C1	REAL300030443693	0	46	-2.0	-88.43	390.60	2.26	-86.17
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=C(F)C([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030443710	0	43	-2.0	-99.78	370.63	1.99	-97.79
COC1=NC(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=CC(=O)[N-]1	REAL300030443761	0	45	-2.0	-91.51	379.04	-2.54	-94.05
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=C3N[N-]N=C3C1=O)C2)C1=CC(=O)[N-]O1	REAL300030443762	0	45	-2.0	-95.35	385.93	0.60	-94.75
O=C(NC1CC2(C1)CCN(C(=O)C1=NC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030443772	0	42	-2.0	-96.19	369.14	3.18	-93.01
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=C(Cl)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030443812	0	43	-2.0	-89.78	373.18	2.31	-87.47
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030443822	0	42	-2.0	-102.36	349.09	1.62	-100.74
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)[N-]O1	REAL300030443828	0	39	-2.0	-91.78	340.47	-1.19	-92.97
CC1=C([O-])N=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300030443854	1	42	-2.0	-96.37	367.44	-0.46	-96.83
O=C(NC1CC2(C1)CCN(C(=O)C(=O)C1=CC=C([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300030443953	1	45	-2.0	-91.04	384.24	1.83	-89.21
O=C(NC1CC2(C1)CCN(C(=O)C1=CN=C(C=N[O-])S1)C2)C1=CC(=O)[N-]O1	REAL300030443979	0	42	-2.0	-99.32	374.20	-0.02	-99.34
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030444004	1	42	-2.0	-85.34	375.35	2.20	-83.14
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)NC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030444029	0	43	-2.0	-86.81	371.60	-2.28	-89.09
CCN1[N-]C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300030444093	0	46	-2.0	-92.52	390.02	1.30	-91.22
CN1[N-]C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300030444115	0	43	-2.0	-91.10	363.87	0.66	-90.44
O=C(CSC1=NNC(=O)[N-]1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030444127	0	43	-2.0	-92.29	386.95	-1.64	-93.93
O=C(CC1=CC(=O)N[N-]1)N1CCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030444275	1	43	-2.0	-107.67	365.57	-0.68	-108.35
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300030444280	1	43	-2.0	-92.07	363.34	1.86	-90.21
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(F)=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300030444334	0	43	-2.0	-92.29	369.55	1.93	-90.36
O=C(NC1CC2(C1)CCN(C(=O)C1=CC=NC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030444340	0	42	-2.0	-95.71	369.13	1.78	-93.93
CC1=C(CC(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N(C)[N-]1	REAL300030444355	0	49	-2.0	-111.03	408.96	1.76	-109.27
CC1=CN=C(C(=O)N2CCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C([O-])=C1	REAL300030444393	1	45	-2.0	-101.64	374.39	3.30	-98.34
O=C(NC1CC2(C1)CCN(C(=O)C1=CC([O-])=CS1)C2)C1=CC(=O)[N-]O1	REAL300030444418	0	40	-2.0	-100.02	352.94	0.58	-99.44
O=C(NC1CC2(C1)CCN(C(=O)C1=CN([O-])C(=O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300030444434	0	43	-2.0	-98.23	371.79	2.68	-95.55
O=C(NC1CC2(C1)CCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)NC1=O	REAL300030444469	0	43	-2.0	-87.80	371.27	0.02	-87.78
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1=NNC(=O)[N-]C1=O	REAL300030445984	0	44	-2.0	-90.21	359.88	-3.10	-93.31
O=C(CN1C(=O)[N-]NC1=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446045	0	46	-2.0	-92.14	374.00	-1.46	-93.60
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1=CN([O-])C(=O)C=C1	REAL300030446473	0	46	-2.0	-103.27	371.06	3.03	-100.24
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1=CC(=O)NC([O-])=C1	REAL300030446561	0	46	-2.0	-85.50	371.43	-1.87	-87.37
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1=COC(=O)[N-]1	REAL300030446572	1	42	-2.0	-91.49	343.44	-2.04	-93.53
CCN1[N-]C(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)=CC1=O	REAL300030446696	0	49	-2.0	-88.25	392.88	1.60	-86.65
O=C(CC1=CC(=O)N[N-]1)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446703	1	46	-2.0	-108.21	376.61	-0.03	-108.24
CN1N=C(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)[N-]C1=O	REAL300030446730	0	45	-2.0	-103.93	373.20	-0.45	-104.38
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1=C[N-]N=CC1=O	REAL300030446793	0	44	-2.0	-77.86	352.55	1.14	-76.72
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1=CC(=O)N[N-]1	REAL300030446864	0	43	-2.0	-85.19	348.33	-1.03	-86.22
C[PH](C)([O-])C(=O)C(=O)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446869	0	48	-2.0	-98.80	393.45	0.71	-98.09
CN1[N-]C(CC(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)=CC1=O	REAL300030446871	0	49	-2.0	-110.90	399.45	1.69	-109.21
O=C(CCC1=NC(=O)[N-]N1)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030446891	1	48	-2.0	-97.76	384.25	-1.36	-99.12
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1=CC=CN([O-])C1=O	REAL300030446894	0	46	-2.0	-106.40	376.82	3.55	-102.85
CC1=C([O-])N=C(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)S1	REAL300030446915	1	45	-2.0	-101.14	383.14	-0.55	-101.69
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1=CC(=O)N([O-])C=C1	REAL300030446933	0	46	-2.0	-104.34	371.44	3.02	-101.32
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1=CC=CC(=O)N1[O-]	REAL300030446958	0	46	-2.0	-131.54	376.74	4.39	-127.15
O=C(CC1=NC([O-])=CS1)NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2	REAL300030447077	0	45	-2.0	-106.22	374.84	-1.13	-107.35
CC1=CC(=O)C(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)=N[N-]1	REAL300030447247	0	47	-2.0	-102.29	385.32	3.12	-99.17
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1=NC(=O)N[N-]1	REAL300030447258	0	42	-2.0	-85.59	342.92	-2.33	-87.92
CN1[N-]C(C(=O)NCC2C3CN(C(=O)C4=CC(=O)[N-]O4)C2CCC3)=CC1=O	REAL300030447459	0	46	-2.0	-90.86	371.08	0.66	-90.20
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1=NC(=O)[N-]C(=O)N1	REAL300030447565	0	44	-2.0	-82.64	362.09	-3.32	-85.96
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1=NC(=O)NC(=O)[N-]1	REAL300030447565	1	44	-2.0	-82.64	362.09	-3.32	-85.96
O=C(NCC1C2CN(C(=O)C3=NC=CC=C3[O-])C1CCC2)C1=CC(=O)[N-]O1	REAL300030447920	1	45	-2.0	-114.85	367.56	3.33	-111.52
O=C(NCC1C2CN(C(=O)C3=NNC(=O)[N-]C3=O)C1CCC2)C1=CC(=O)[N-]O1	REAL300030448017	0	44	-2.0	-91.17	359.06	-2.77	-93.94
O=C(CN1C(=O)[N-]NC1=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030448113	0	46	-2.0	-97.36	383.82	-0.89	-98.25
N#CC1=CC([O-])=CC(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030448900	1	47	-2.0	-84.46	386.54	2.62	-81.84
O=C(NCC1C2CN(C(=O)C3=COC(=O)[N-]3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030448958	1	42	-2.0	-87.05	343.14	-1.02	-88.07
O=C(NCC1C2CN(C(=O)C3=CC=C([O-])C=C3F)C1CCC2)C1=CC(=O)[N-]O1	REAL300030449028	1	46	-2.0	-89.03	371.47	2.33	-86.70
O=C(NCC1C2CN(C(=O)C3=CC([O-])=CC(=O)O3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030449033	0	45	-2.0	-86.58	368.00	1.69	-84.89
N#CC1=CC=C(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300030449035	1	47	-2.0	-107.06	390.57	2.93	-104.13
CC1=CC=C([O-])C(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030449086	1	48	-2.0	-100.91	381.23	3.53	-97.38
O=C(NCC1C2CN(C(=O)C3=C[N-]N=CC3=O)C1CCC2)C1=CC(=O)[N-]O1	REAL300030449098	0	44	-2.0	-101.12	369.64	1.28	-99.84
O=C(NCC1C2CN(C(=O)C3=CC=CC(F)=C3[O-])C1CCC2)C1=CC(=O)[N-]O1	REAL300030449103	0	46	-2.0	-123.30	378.30	3.82	-119.48
O=C(NCC1C2CN(C(=O)C3=CC=CC([O-])=C3F)C1CCC2)C1=CC(=O)[N-]O1	REAL300030449164	1	46	-2.0	-116.47	378.56	2.74	-113.73
O=C(NCC1C2CN(C(=O)C3=CC(=O)N[N-]3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030449227	0	43	-2.0	-98.09	355.60	-0.37	-98.46
C[PH](C)([O-])C(=O)C(=O)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449232	0	48	-2.0	-101.13	393.31	0.80	-100.33
O=C(NCC1C2CN(C(=O)C3=CC(=O)N([O-])C=C3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030449284	0	46	-2.0	-104.24	386.83	3.42	-100.82
O=C(NCC1C2CN(C(=O)C3=NC(=O)N[N-]3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030449301	0	42	-2.0	-96.38	350.70	-1.22	-97.60
O=C(NCC1C2CN(C(=O)C3=CC=CN([O-])C3=O)C1CCC2)C1=CC(=O)[N-]O1	REAL300030449305	0	46	-2.0	-109.90	377.76	3.03	-106.87
O=C(NCC1C2CN(C(=O)C3=CC(F)=CC=C3O)C1CCC2)C1=CC(=O)[N-]O1	REAL300030449407	0	46	-2.0	-112.49	378.52	3.78	-108.71
O=C(NCC1C2CN(C(=O)C3=CC(F)=CC=C3[O-])C1CCC2)C1=CC(=O)[N-]O1	REAL300030449407	1	46	-2.0	-112.49	378.52	3.78	-108.71
CC1=CC=NC(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)=C1O	REAL300030449451	0	48	-2.0	-108.32	379.89	3.63	-104.69
CC1=CC=NC(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300030449451	1	48	-2.0	-108.32	379.89	3.63	-104.69
O=C(NCC1C2CN(C(=O)C3=CN=CC(O)=C3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030449514	0	45	-2.0	-95.51	365.39	0.72	-94.79
O=C(NCC1C2CN(C(=O)C3=CN=CC([O-])=C3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030449514	1	45	-2.0	-95.51	365.39	0.72	-94.79
O=C(CC1=NC([O-])=CS1)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030449605	0	45	-2.0	-113.07	377.80	-0.97	-114.04
CC1=CC(=O)C(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030449707	0	47	-2.0	-91.27	376.26	3.10	-88.17
O=C(NCC1C2CN(C(=O)C3=CC=CC(=O)N3[O-])C1CCC2)C1=CC(=O)[N-]O1	REAL300030449720	0	46	-2.0	-131.02	384.99	3.26	-127.76
N#CC1=CC=C(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030449736	0	46	-2.0	-107.22	395.85	1.09	-106.13
CN1N=C(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030449761	0	45	-2.0	-105.84	372.95	-0.15	-105.99
N#CC1=CC=C([O-])C(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030449797	0	47	-2.0	-107.71	393.69	4.11	-103.60
O=C(NCC1C2CN(C(=O)C3=CC=C(F)C([O-])=C3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030449882	1	46	-2.0	-97.94	376.63	2.55	-95.39
O=C(NCC1C2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030449929	0	44	-2.0	-86.32	361.11	-2.47	-88.79
O=C(NCC1C2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030449929	1	44	-2.0	-86.32	361.11	-2.47	-88.79
NC1=NC=C(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030449960	0	46	-2.0	-112.11	384.29	-0.05	-112.16
NC1=NC=C(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030449960	1	46	-2.0	-112.11	384.29	-0.05	-112.16
O=C(NCC1C2CN(C(=O)C3=CC(=O)[N-]O3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030450044	0	42	-2.0	-90.03	343.07	-0.58	-90.61
CC1SC(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030450058	0	45	-2.0	-100.49	382.83	0.19	-100.30
CC1=C([O-])N=C(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030450058	1	45	-2.0	-100.49	382.83	0.19	-100.30
O=C(NCC1C2CN(C(=O)C(=O)C3=CC=C(O)C=C3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030450129	0	48	-2.0	-87.76	385.55	2.50	-85.26
O=C(NCC1C2CN(C(=O)C(=O)C3=CC=C([O-])C=C3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030450129	1	48	-2.0	-87.76	385.55	2.50	-85.26
O=C(NCC1C2CN(C(=O)C3=CC(=O)NC([O-])=C3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030450161	0	46	-2.0	-84.89	378.53	-1.86	-86.75
CCN1[N-]C(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030450203	0	49	-2.0	-102.05	400.80	2.25	-99.80
CN1[N-]C(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030450215	0	46	-2.0	-100.89	378.99	1.31	-99.58
O=C(CC1=CC(=O)NN1)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450285	0	46	-2.0	-94.69	371.67	-0.21	-94.90
O=C(CC1=CC(=O)N[N-]1)N1CC2CCCC1C2CNC(=O)C1=CC(=O)[N-]O1	REAL300030450285	1	46	-2.0	-94.69	371.67	-0.21	-94.90
O=C(NCC1C2CN(C(=O)C3=CC=C(O)C(F)=C3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030450289	0	46	-2.0	-98.17	380.43	2.70	-95.47
O=C(NCC1C2CN(C(=O)C3=CC=C([O-])C(F)=C3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030450289	1	46	-2.0	-98.17	380.43	2.70	-95.47
CC1=CN=C(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C(O)=C1	REAL300030450347	0	48	-2.0	-116.64	389.01	3.96	-112.68
CC1=CN=C(C(=O)N2CC3CCCC2C3CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030450347	1	48	-2.0	-116.64	389.01	3.96	-112.68
O=C(NCC1C2CN(C(=O)C3=CC([O-])=CS3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030450359	0	43	-2.0	-108.42	362.70	1.62	-106.80
O=C(NCC1C2CN(C(=O)C3=CN([O-])C(=O)C=C3)C1CCC2)C1=CC(=O)[N-]O1	REAL300030450370	0	46	-2.0	-99.18	378.13	3.09	-96.09
CC1CC(NC(=O)C2=CN=C(C3CC3)[N-]C2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451048	1	44	-2.0	-94.00	371.39	0.45	-93.55
CC1CC(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451355	0	44	-2.0	-84.13	378.69	-1.22	-85.35
CC1CC(NC(=O)CCCN2C(=O)[N-]NC2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030451905	0	45	-2.0	-102.86	384.39	-1.87	-104.73
CC(C)CN1[N-]C(CC(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030452102	0	51	-2.0	-111.64	419.27	1.93	-109.71
CC1CC(NC(=O)CCC2=NNC(=O)[N-]C2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452196	0	43	-2.0	-99.76	372.09	-4.60	-104.36
CC(=O)[N-]C1=NC(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030452197	1	41	-2.0	-89.29	366.28	-1.12	-90.41
CC1CC(NC(=O)CCN2C=C[N-]C(=O)C2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452411	1	44	-2.0	-112.52	378.26	-0.43	-112.95
COC1=C(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030452556	1	42	-2.0	-96.78	361.30	-3.47	-100.25
CC1CC(NC(=O)C2=NNC(=O)[N-]C2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452707	0	37	-2.0	-100.69	327.71	-4.76	-105.45
CC1CC(NC(=O)CN2C(=O)[N-]NC2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030452849	0	39	-2.0	-103.85	341.87	-3.07	-106.92
CC1=C(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C(C)C)=N1	REAL300030452892	1	49	-2.0	-93.43	397.43	0.86	-92.57
CC1CC(NC(=O)CN2[N-]C=C3C2=NC=NC3=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453030	0	43	-2.0	-106.62	375.84	-0.16	-106.78
CC1CC([N-]C(=O)C(F)(F)C(F)(F)C(F)F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453927	0	37	-2.0	-96.18	340.62	0.34	-95.84
CC1CC(NC(=O)C2=CN([O-])C(=O)C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030453944	0	39	-2.0	-112.90	338.83	1.42	-111.48
CC1CC(NC(=O)C2=CC(=O)NC([O-])=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454151	0	39	-2.0	-92.85	339.30	-3.51	-96.36
CC1CC(NC(=O)C2=COC(=O)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454167	1	35	-2.0	-91.72	311.44	-3.68	-95.40
CC1CC(NC(=O)C2=CN=C(C3CCC3)[N-]C2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454230	1	47	-2.0	-92.44	388.31	0.96	-91.48
CC1CC([N-]C(=O)C(F)(F)C(F)(F)F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454318	0	34	-2.0	-89.67	316.50	-0.36	-90.03
CCN1[N-]C(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030454451	0	42	-2.0	-97.86	360.71	-0.03	-97.89
CC1CC(NC(=O)CC2=CC(=O)N[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454462	1	39	-2.0	-106.83	337.11	-2.01	-108.84
CC1CC(NC(=O)C2=CC=CC(=S)N2[O-])CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454489	0	39	-2.0	-136.73	347.60	3.41	-133.32
CC1CC(NC(=O)CC2SC(=O)[N-]C2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454508	0	39	-2.0	-99.05	350.05	-3.52	-102.57
CC1CC(NC(=O)C2=NN(C)C(=O)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454528	0	38	-2.0	-101.28	333.47	-2.46	-103.74
CC1=C(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)NC(C2CC2)=N1	REAL300030454660	0	47	-2.0	-94.08	387.62	1.06	-93.02
CC1=C(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300030454660	1	47	-2.0	-94.08	387.62	1.06	-93.02
CC1CC(NC(=O)C2=C[N-]N=CC2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454676	0	37	-2.0	-85.63	320.48	-0.51	-86.14
CC1CC(NC(=O)C2=CC=C3N=NN([O-])C3=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454720	0	41	-2.0	-111.51	355.39	-0.09	-111.60
CC1CC(NC(=O)C2=CC(=O)N[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454847	0	36	-2.0	-94.45	316.26	-2.69	-97.14
CC1CC(NC(=O)C(=O)[PH](C)(C)[O-])CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454852	0	41	-2.0	-90.42	349.25	-1.21	-91.63
CC1CC(NC(=O)CC2=CC(=O)N(C)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454855	0	42	-2.0	-110.08	360.12	-0.28	-110.36
CC1CC(NC(=O)CCC2=NC(=O)[N-]N2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454896	1	41	-2.0	-105.55	352.55	-2.97	-108.52
CC1CC(NC(=O)C2=CC=CN([O-])C2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454906	0	39	-2.0	-103.44	335.64	1.52	-101.92
CSC1=NC=C(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030454932	1	41	-2.0	-92.90	361.80	-0.67	-93.57
CC1=C([O-])N=C(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030454960	1	38	-2.0	-97.19	342.81	-2.56	-99.75
CC1CC(NC(=O)C2=CC(=O)C=C(Cl)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030454984	1	38	-2.0	-90.83	346.30	0.62	-90.21
CC1CC(NC(=O)C2=CC(=O)N([O-])C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455012	0	39	-2.0	-112.58	339.21	1.40	-111.18
CC1CC(NC(=O)C2=CC=CC(=O)N2[O-])CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455087	0	39	-2.0	-132.82	336.49	2.37	-130.45
CC1CC(NC(=O)C[N-]C(=O)C(F)(F)F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455305	0	38	-2.0	-95.15	346.27	-2.79	-97.94
CC1CC(NC(=O)CC2=C([O-])N=C(N)S2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455306	0	40	-2.0	-122.29	357.53	-3.62	-125.91
CC1CC(NC(=O)CC2=NC([O-])=CS2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455385	0	38	-2.0	-122.00	343.14	-2.72	-124.72
CCC1=NC=C(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030455417	1	43	-2.0	-91.23	361.47	-0.18	-91.41
CC1CC(NC(=O)CN2N=CC(=O)[N-]C2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455431	0	40	-2.0	-101.17	351.28	-4.22	-105.39
CC1CC(NC(=O)C2=C(Cl)C(=O)[N-]S2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455531	0	35	-2.0	-94.96	333.71	-1.38	-96.34
COCC1=NC=C(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030455671	0	44	-2.0	-93.25	373.48	-1.96	-95.21
COCC1=NC=C(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030455671	1	44	-2.0	-93.25	373.48	-1.96	-95.21
CC1CC(NC(=O)C2=CN=C(CC3CC3)NC2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455686	0	47	-2.0	-92.31	391.46	1.41	-90.90
CC1CC(NC(=O)C2=CN=C(CC3CC3)[N-]C2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455686	1	47	-2.0	-92.31	391.46	1.41	-90.90
CC1=CC(=O)C(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030455794	0	40	-2.0	-99.73	344.87	1.10	-98.63
CC1CC(NC(=O)C2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455817	0	35	-2.0	-97.99	310.64	-4.13	-102.12
CC1CC(NC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030455847	1	40	-2.0	-92.47	353.38	0.34	-92.13
CC1=NC2=NC=C(C(=O)NC3CC(C)N(C(=O)C4=CC(=O)[N-]O4)C3)C(=O)N2[N-]1	REAL300030455883	0	43	-2.0	-90.98	367.69	2.55	-88.43
CC1CC(NC(=O)C2=CN=C(C=N[O-])S2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456010	0	38	-2.0	-104.03	350.72	-1.13	-105.16
COC1=NC(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030456031	0	41	-2.0	-99.22	356.99	-4.67	-103.89
CC1CC(NC(=O)C2=CC(=O)N(C)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456296	0	39	-2.0	-97.39	339.08	-0.97	-98.36
CC1CC(NC(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456306	1	42	-2.0	-115.00	360.87	-0.60	-115.60
CC1CC(NC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456310	0	39	-2.0	-99.13	353.18	-2.83	-101.96
CC1=C(C(=O)NC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300030456311	1	41	-2.0	-128.68	366.39	-1.36	-130.04
CC1CC(NC(=O)C2=NC(=O)[N-]C(=O)N2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456576	0	37	-2.0	-94.43	328.23	-5.76	-100.19
CC1CC(NC(=O)C2=NC(=O)NC(=O)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456576	1	37	-2.0	-90.07	329.91	-4.97	-95.04
CC1CC(NC(=O)COC2=NC(=O)[N-]C(=O)N2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456676	0	41	-2.0	-99.61	363.09	-6.53	-106.14
CC1CC(NC(=O)COC2=NC(=O)NC(=O)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456676	1	41	-2.0	-96.11	363.46	-6.45	-102.56
CC1CC(NC(=O)CN2[N-]C(=O)C=CC2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030456855	0	41	-2.0	-104.24	358.40	-2.06	-106.30
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NC=CC=C1[O-]	REAL300030457100	1	38	-2.0	-99.58	326.42	1.15	-98.43
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300030457221	1	44	-2.0	-98.32	380.85	-0.36	-98.68
CC(=O)[N-]C1=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)=CS1	REAL300030457234	1	41	-2.0	-91.73	364.76	-0.64	-92.37
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300030457266	0	37	-2.0	-92.82	326.03	-4.60	-97.42
COC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)NC(=O)[N-]C1=O	REAL300030457326	1	42	-2.0	-98.45	358.03	-3.34	-101.79
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CN1C(=O)[N-]NC1=O	REAL300030457508	0	39	-2.0	-99.32	345.30	-2.96	-102.28
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CN1[N-]C=C2C1=NC=NC2=O	REAL300030457563	0	43	-2.0	-92.92	377.45	-0.08	-93.00
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCCN1C(=O)[N-]NC1=O	REAL300030458563	0	45	-2.0	-90.90	386.34	-1.76	-92.66
CC(C)CN1[N-]C(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)=CC1=O	REAL300030458738	0	51	-2.0	-103.58	424.76	2.34	-101.24
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300030458794	1	44	-2.0	-100.50	380.27	0.13	-100.37
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300030459717	0	43	-2.0	-95.56	375.60	-4.48	-100.04
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300030459725	0	41	-2.0	-100.45	358.58	2.38	-98.07
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300030459744	1	39	-2.0	-96.50	348.71	2.07	-94.43
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300030459782	1	40	-2.0	-89.11	347.66	0.67	-88.44
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(N)C(Cl)=C1[O-]	REAL300030459812	0	41	-2.0	-100.31	360.54	0.04	-100.27
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300030459868	0	41	-2.0	-101.74	357.96	3.05	-98.69
CCC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)[N-]1	REAL300030459902	1	43	-2.0	-98.30	369.70	-0.45	-98.75
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=COC(=O)[N-]1	REAL300030459928	1	35	-2.0	-96.77	311.05	-2.45	-99.22
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300030460037	0	38	-2.0	-90.01	348.25	-2.68	-92.69
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1=C([O-])N=C(N)S1	REAL300030460038	0	40	-2.0	-106.48	359.56	-3.51	-109.99
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C([O-])C=C1F	REAL300030460076	1	39	-2.0	-93.64	339.18	0.65	-92.99
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC([O-])=C2SC=CC2=C1	REAL300030460084	1	42	-2.0	-98.21	363.83	1.60	-96.61
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300030460087	0	38	-2.0	-94.38	334.87	0.00	-94.38
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300030460100	1	40	-2.0	-91.46	347.12	0.71	-90.75
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300030460106	0	38	-2.0	-93.19	343.79	0.11	-93.08
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1	REAL300030460110	0	41	-2.0	-93.15	366.40	-2.13	-95.28
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300030460126	0	40	-2.0	-95.70	354.25	-4.10	-99.80
CC1=CC=C([O-])C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)=N1	REAL300030460229	1	41	-2.0	-101.18	349.41	1.90	-99.28
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=C[N-]N=CC1=O	REAL300030460258	0	37	-2.0	-92.72	330.06	-0.75	-93.47
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300030460270	0	39	-2.0	-102.70	338.17	1.63	-101.07
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=CC([O-])=C1F	REAL300030460407	1	39	-2.0	-100.91	338.44	0.65	-100.26
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300030460487	0	41	-2.0	-104.27	358.60	2.35	-101.92
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(=O)N[N-]1	REAL300030460557	0	36	-2.0	-91.46	314.76	-2.43	-93.89
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300030460564	0	41	-2.0	-89.80	349.12	-1.13	-90.93
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C(=O)C=C([O-])C1=CC=CC=N1	REAL300030460596	0	44	-2.0	-110.86	382.83	2.24	-108.62
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN=C(CC2CC2)NC1=O	REAL300030460618	0	47	-2.0	-98.40	400.62	1.15	-97.25
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN=C(CC2CC2)[N-]C1=O	REAL300030460618	1	47	-2.0	-98.40	400.62	1.15	-97.25
COCC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)N1	REAL300030460636	0	44	-2.0	-98.90	382.63	-2.21	-101.11
COCC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)[N-]1	REAL300030460636	1	44	-2.0	-98.90	382.63	-2.21	-101.11
CC1=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)=CC([N+](=O)[O-])=C1[O-]	REAL300030460645	0	44	-2.0	-100.50	379.40	3.08	-97.42
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300030460696	0	39	-2.0	-105.17	347.72	1.41	-103.76
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL300030460735	0	39	-2.0	-95.22	350.94	0.77	-94.45
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NNC(=O)[N-]1	REAL300030460737	0	35	-2.0	-94.32	309.44	-3.92	-98.24
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=CN([O-])C1=O	REAL300030460750	0	39	-2.0	-113.80	344.36	1.31	-112.49
CC1=NC2=NC=C(C(=O)N3CC(NC(=O)C4=CC(=O)[N-]O4)CC3C)C(=O)N2[N-]1	REAL300030460869	0	43	-2.0	-98.21	376.36	2.28	-95.93
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NC(N)=CC(=O)[N-]1	REAL300030460908	0	39	-2.0	-96.73	338.77	-2.73	-99.46
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CN1C=C(C#N)C(=O)[N-]C1=O	REAL300030460923	0	42	-2.0	-98.46	378.58	-1.82	-100.28
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300030460986	0	39	-2.0	-97.89	348.61	1.13	-96.76
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300030460994	1	39	-2.0	-96.33	338.39	1.62	-94.71
CC1=CC=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)=C1[O-]	REAL300030461094	1	41	-2.0	-100.73	348.12	2.00	-98.73
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300030461153	0	39	-2.0	-98.69	354.32	2.13	-96.56
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN=CC([O-])=C1	REAL300030461276	1	38	-2.0	-97.30	327.42	-1.27	-98.57
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300030461290	0	39	-2.0	-118.73	355.38	1.77	-116.96
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN=C(C2CCC2)[N-]C1=O	REAL300030461450	1	47	-2.0	-100.52	396.02	0.66	-99.86
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300030461465	1	41	-2.0	-93.59	355.50	-1.23	-94.82
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300030461469	0	38	-2.0	-91.56	344.72	0.08	-91.48
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N	REAL300030461536	0	43	-2.0	-98.58	370.83	0.50	-98.08
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300030461543	1	39	-2.0	-93.12	347.88	1.09	-92.03
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300030461545	0	42	-2.0	-96.04	365.91	-0.13	-96.17
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1=NC([O-])=CS1	REAL300030461557	0	38	-2.0	-103.16	344.74	-2.64	-105.80
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300030461583	0	41	-2.0	-93.99	360.02	-1.99	-95.98
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300030461588	0	39	-2.0	-97.23	338.94	1.46	-95.77
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1SC(=O)[N-]C1=O	REAL300030461727	0	39	-2.0	-86.96	351.81	-3.43	-90.39
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300030461755	0	39	-2.0	-94.38	344.69	0.73	-93.65
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030461759	1	40	-2.0	-89.02	361.00	-0.67	-89.69
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300030461765	0	39	-2.0	-97.99	347.98	2.11	-95.88
CC1=CC(=O)C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)=N[N-]1	REAL300030461804	0	40	-2.0	-95.03	343.22	1.26	-93.77
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300030461808	0	44	-2.0	-102.56	375.76	0.96	-101.60
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300030461840	0	39	-2.0	-115.51	344.27	1.13	-114.38
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300030461878	0	39	-2.0	-96.96	355.70	-0.91	-97.87
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300030461879	0	41	-2.0	-94.88	365.06	-6.48	-101.36
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300030461879	1	41	-2.0	-89.27	366.06	-6.38	-95.65
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300030461908	0	41	-2.0	-91.30	357.36	1.96	-89.34
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300030461952	0	38	-2.0	-96.56	332.27	-2.27	-98.83
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300030461990	0	41	-2.0	-96.27	361.13	-1.60	-97.87
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300030462036	0	40	-2.0	-93.65	352.82	1.97	-91.68
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300030462176	0	39	-2.0	-95.27	350.04	-1.26	-96.53
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300030462217	0	39	-2.0	-93.49	354.69	2.15	-91.34
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300030462246	1	39	-2.0	-107.89	338.84	0.61	-107.28
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300030462255	1	44	-2.0	-109.72	373.08	2.06	-107.66
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300030462259	0	41	-2.0	-93.75	360.68	2.07	-91.68
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300030462263	0	41	-2.0	-91.12	360.12	2.22	-88.90
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300030462274	1	39	-2.0	-97.20	349.25	1.91	-95.29
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300030462298	0	41	-2.0	-89.08	355.01	0.95	-88.13
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300030462387	0	37	-2.0	-98.99	327.57	-4.92	-103.91
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300030462387	1	37	-2.0	-91.84	328.27	-4.14	-95.98
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300030462427	0	41	-2.0	-109.11	349.12	-0.68	-109.79
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300030462469	1	44	-2.0	-105.32	373.01	3.66	-101.66
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300030462470	0	35	-2.0	-92.33	329.97	-1.58	-93.91
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300030462490	1	39	-2.0	-98.62	343.07	-2.11	-100.73
CC1=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)[N-]C(=O)C(C#N)=C1	REAL300030462530	0	42	-2.0	-95.42	365.73	0.92	-94.50
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(F)C([O-])=C1F	REAL300030462552	0	39	-2.0	-100.52	344.64	0.70	-99.82
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300030462620	0	39	-2.0	-93.72	348.97	0.93	-92.79
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030462626	1	40	-2.0	-98.26	362.06	0.36	-97.90
COC1=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)=CC(=O)[N-]1	REAL300030462633	0	41	-2.0	-92.15	353.55	-3.92	-96.07
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300030462635	0	41	-2.0	-96.37	358.89	-0.71	-97.08
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300030462643	0	38	-2.0	-96.45	344.00	1.83	-94.62
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300030462650	1	42	-2.0	-94.60	375.80	2.20	-92.40
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300030462692	0	39	-2.0	-103.85	348.63	1.10	-102.75
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=NC=C1[O-]	REAL300030462703	0	38	-2.0	-98.29	327.09	-0.30	-98.59
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030462710	0	35	-2.0	-97.13	310.91	-2.20	-99.33
CC1=C([O-])N=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)S1	REAL300030462751	1	38	-2.0	-105.93	342.97	-1.70	-107.63
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300030462823	1	45	-2.0	-103.19	377.27	3.73	-99.46
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300030462832	1	45	-2.0	-104.29	378.38	3.64	-100.65
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300030462881	1	41	-2.0	-91.15	352.45	0.78	-90.37
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN=C(C=N[O-])S1	REAL300030462913	0	38	-2.0	-102.09	347.60	-1.30	-103.39
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300030462945	1	38	-2.0	-87.67	344.39	1.10	-86.57
CSC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)[N-]1	REAL300030462974	1	41	-2.0	-99.31	371.01	-0.94	-100.25
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300030462983	0	39	-2.0	-91.03	345.46	-3.54	-94.57
CCN1[N-]C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)=CC1=O	REAL300030463072	0	42	-2.0	-93.85	359.40	0.20	-93.65
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CNC(=O)C1=NC=CC=C1[O-]	REAL300030463083	1	45	-2.0	-103.93	389.16	-0.63	-104.56
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300030463093	0	39	-2.0	-93.37	337.58	-0.73	-94.10
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300030463108	0	39	-2.0	-96.54	356.61	-2.68	-99.22
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1=CC(=O)N[N-]1	REAL300030463274	1	39	-2.0	-93.89	338.89	-1.92	-95.81
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300030463281	1	39	-2.0	-101.86	338.81	0.66	-101.20
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300030463342	0	39	-2.0	-96.39	341.26	0.60	-95.79
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300030463347	0	38	-2.0	-95.79	343.12	0.13	-95.66
CC1=C(CC(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)N(C)[N-]1	REAL300030463368	0	45	-2.0	-99.80	383.11	0.51	-99.29
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCC(=O)C1=CC=C([O-])C=C1	REAL300030463377	1	47	-2.0	-92.35	402.30	2.30	-90.05
CC1=CN=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC2C)C([O-])=C1	REAL300030463418	1	41	-2.0	-101.03	347.86	1.78	-99.25
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC([O-])=CS1	REAL300030463456	0	36	-2.0	-98.74	321.45	-0.46	-99.20
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300030463480	0	39	-2.0	-103.53	347.51	1.42	-102.11
CC1CC(NC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300030463488	0	39	-2.0	-92.79	354.39	2.17	-90.62
CC1CC(NC(=O)C2=CN([O-])C(=O)NC2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030463536	0	39	-2.0	-93.85	341.67	-0.98	-94.83
CC1CC(NC(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030463576	1	40	-2.0	-84.13	352.76	-0.35	-84.48
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)C1	REAL300030464916	0	39	-2.0	-111.96	340.84	-4.98	-116.94
O=C(CN1C(=O)[N-]NC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465012	0	41	-2.0	-96.08	356.37	-3.50	-99.58
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3=CN([O-])C(=O)C=C3)C2)C1	REAL300030465665	0	41	-2.0	-122.89	349.71	0.65	-122.24
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)C1	REAL300030465787	0	41	-2.0	-102.38	351.17	-4.22	-106.60
O=C(C1=COC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465798	1	37	-2.0	-111.69	324.72	-3.49	-115.18
CCN1[N-]C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=CC1=O	REAL300030465976	0	44	-2.0	-114.18	374.11	-0.29	-114.47
O=C(CC1=CC(=O)N[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030465984	1	41	-2.0	-96.39	351.35	-2.46	-98.85
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3=CC=CC(=S)N3[O-])C2)C1	REAL300030466003	0	41	-2.0	-154.15	358.82	2.73	-151.42
O=C(CC1SC(=O)[N-]C1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466013	0	41	-2.0	-88.39	365.02	-4.00	-92.39
CN1N=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)[N-]C1=O	REAL300030466029	0	40	-2.0	-116.99	347.02	-2.71	-119.70
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3=C[N-]N=CC3=O)C2)C1	REAL300030466121	0	39	-2.0	-93.53	332.50	-0.25	-93.78
O=C(C1=CC(=O)N[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466231	0	38	-2.0	-109.82	329.57	-2.92	-112.74
C[PH](C)([O-])C(=O)C(=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466236	0	43	-2.0	-91.84	367.35	-1.94	-93.78
O=C(CCC1=NC(=O)NN1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466265	0	43	-2.0	-107.55	368.42	-3.18	-110.73
O=C(CCC1=NC(=O)[N-]N1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466265	1	43	-2.0	-107.55	368.42	-3.18	-110.73
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3=CC=CN([O-])C3=O)C2)C1	REAL300030466270	0	41	-2.0	-108.11	354.36	1.20	-106.91
CC1SC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=NC1=O	REAL300030466301	0	40	-2.0	-118.56	356.21	-2.51	-121.07
CC1=C([O-])N=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)S1	REAL300030466301	1	40	-2.0	-118.56	356.21	-2.51	-121.07
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3=CC(=O)C=C(Cl)N3)C2)C1	REAL300030466315	0	40	-2.0	-101.40	359.98	0.58	-100.82
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C2)C1	REAL300030466315	1	40	-2.0	-101.40	359.98	0.58	-100.82
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3=CC(=O)N([O-])C=C3)C2)C1	REAL300030466334	0	41	-2.0	-124.10	350.14	0.65	-123.45
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3=CC=CC(=O)N3[O-])C2)C1	REAL300030466373	0	41	-2.0	-151.44	347.71	1.69	-149.75
NC1=NC([O-])=C(CC(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)S1	REAL300030466504	0	42	-2.0	-114.72	373.19	-3.92	-118.64
O=C(CC1=NC([O-])=CS1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466552	0	40	-2.0	-110.92	358.37	-3.04	-113.96
CCC1=NC=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C(=O)N1	REAL300030466570	0	45	-2.0	-121.41	373.18	0.22	-121.19
CCC1=NC=C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)C(=O)[N-]1	REAL300030466570	1	45	-2.0	-121.41	373.18	0.22	-121.19
CC1=CC(=O)C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=N[N-]1	REAL300030466800	0	42	-2.0	-113.74	358.00	0.88	-112.86
O=C(C1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466816	0	37	-2.0	-113.57	324.19	-4.38	-117.95
O=C(C1=CN=C(C=N[O-])S1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030466938	0	40	-2.0	-115.20	363.03	-1.68	-116.88
COC1=NC(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=CC(=O)[N-]1	REAL300030466953	0	43	-2.0	-114.32	368.60	-4.64	-118.96
CN1[N-]C(C(=O)N2CC3(C2)CN(C(=O)C2=CC(=O)[N-]O2)CCO3)=CC1=O	REAL300030467117	0	41	-2.0	-112.93	352.38	-1.22	-114.15
O=C(CSC1=NNC(=O)[N-]1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467124	0	41	-2.0	-107.26	368.83	-3.12	-110.38
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)C1	REAL300030467291	0	39	-2.0	-113.50	342.38	-5.66	-119.16
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)C1	REAL300030467291	1	39	-2.0	-106.81	342.98	-4.89	-111.70
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030467450	0	43	-2.0	-100.04	372.76	-2.57	-102.61
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NC=CC=C1[O-])CCO2	REAL300030467703	1	40	-2.0	-108.24	341.83	1.05	-107.19
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NNC(=O)[N-]C1=O)CCO2	REAL300030467834	0	39	-2.0	-108.65	341.42	-4.77	-113.42
O=C(CN1C(=O)[N-]NC1=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030468014	0	41	-2.0	-98.25	357.58	-3.44	-101.69
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(Cl)=CC=C1[O-])CCO2	REAL300030469503	1	41	-2.0	-104.30	365.09	1.56	-102.74
N#CC1=CC([O-])=CC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030469529	1	42	-2.0	-90.99	369.49	0.68	-90.31
CCC1=NC=C(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030469621	1	45	-2.0	-87.79	375.76	-1.03	-88.82
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=COC(=O)[N-]1)CCO2	REAL300030469640	1	37	-2.0	-103.63	324.83	-2.52	-106.15
O=C(C[N-]C(=O)C(F)(F)F)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469711	0	40	-2.0	-91.24	361.98	-3.16	-94.40
NC1=NC([O-])=C(CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300030469712	0	42	-2.0	-105.93	373.19	-3.94	-109.87
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C(F)C=C([O-])C=C1F)CCO2	REAL300030469722	0	41	-2.0	-90.41	365.55	0.45	-89.96
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C([O-])C=C1F)CCO2	REAL300030469738	1	41	-2.0	-103.80	352.56	0.35	-103.45
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC([O-])=CC(=O)O1)CCO2	REAL300030469744	0	40	-2.0	-92.22	349.12	-0.59	-92.81
N#CC1=CC=C(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1[O-]	REAL300030469752	1	42	-2.0	-91.91	369.75	0.76	-91.15
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(Cl)=NC=C1[O-])CCO2	REAL300030469755	0	40	-2.0	-101.52	360.50	-0.86	-102.38
O=C(CN1N=CC(=O)[N-]C1=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469773	0	42	-2.0	-99.32	367.86	-4.56	-103.88
CC1=CC=C([O-])C(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300030469838	1	43	-2.0	-109.23	363.43	1.63	-107.60
O=C(CCC1=NC(=O)[N-]N1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030469840	1	43	-2.0	-98.32	367.83	-3.29	-101.61
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C[N-]N=CC1=O)CCO2	REAL300030469859	0	39	-2.0	-84.59	337.98	-1.33	-85.92
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CC(F)=C1[O-])CCO2	REAL300030469870	0	41	-2.0	-113.97	354.58	1.12	-112.85
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CC([O-])=C1F)CCO2	REAL300030469969	1	41	-2.0	-110.57	352.35	0.21	-110.36
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(=O)N[N-]1)CCO2	REAL300030470080	0	38	-2.0	-104.53	329.64	-2.60	-107.13
C[PH](C)([O-])C(=O)C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470086	0	43	-2.0	-86.46	362.35	-1.71	-88.17
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(=O)N([O-])C=C1)CCO2	REAL300030470184	0	41	-2.0	-104.71	360.53	1.07	-103.64
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NC(=O)N[N-]1)CCO2	REAL300030470210	0	37	-2.0	-105.23	324.76	-3.22	-108.45
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C(O)C=CC=C1Cl)CCO2	REAL300030470213	0	41	-2.0	-101.54	369.76	0.98	-100.56
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C([O-])C=CC=C1Cl)CCO2	REAL300030470213	1	41	-2.0	-101.54	369.76	0.98	-100.56
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CN([O-])C1=O)CCO2	REAL300030470218	0	41	-2.0	-98.06	351.03	0.64	-97.42
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C(F)C=CC(O)=C1F)CCO2	REAL300030470247	0	41	-2.0	-106.81	366.57	0.59	-106.22
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C(F)C=CC([O-])=C1F)CCO2	REAL300030470247	1	41	-2.0	-106.81	366.57	0.59	-106.22
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(F)=CC=C1O)CCO2	REAL300030470396	0	41	-2.0	-103.54	354.76	1.12	-102.42
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(F)=CC=C1[O-])CCO2	REAL300030470396	1	41	-2.0	-103.54	354.76	1.12	-102.42
CC1=CC=NC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1O	REAL300030470461	0	43	-2.0	-108.04	362.15	1.73	-106.31
CC1=CC=NC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1[O-]	REAL300030470461	1	43	-2.0	-108.04	362.15	1.73	-106.31
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN=CC(O)=C1)CCO2	REAL300030470582	0	40	-2.0	-107.41	344.75	-1.46	-108.87
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN=CC([O-])=C1)CCO2	REAL300030470582	1	40	-2.0	-107.41	344.75	-1.46	-108.87
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CC(=S)N1[O-])CCO2	REAL300030470592	0	41	-2.0	-133.85	364.84	2.17	-131.68
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C([O-])C(Cl)=N1)CCO2	REAL300030470709	0	40	-2.0	-103.10	360.22	-0.10	-103.20
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C(O)C=C1Cl)CCO2	REAL300030470753	0	41	-2.0	-100.32	365.15	0.86	-99.46
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C([O-])C=C1Cl)CCO2	REAL300030470753	1	41	-2.0	-100.32	365.15	0.86	-99.46
N#CC1=CC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C([O-])C=C1N	REAL300030470755	0	44	-2.0	-113.78	384.77	-0.94	-114.72
O=C(CC1=NC([O-])=CS1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470765	0	40	-2.0	-117.50	359.94	-2.91	-120.41
O=C(CN1[N-]C(=O)C=CC1=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470782	0	43	-2.0	-100.98	373.64	-2.47	-103.45
O=C(CC1SC(=O)[N-]C1=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030470891	0	41	-2.0	-96.82	367.29	-3.67	-100.49
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C([O-])C(F)=C1F)CCO2	REAL300030470916	0	41	-2.0	-105.32	362.27	0.50	-104.82
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CC(Cl)=C1[O-])CCO2	REAL300030470923	0	41	-2.0	-108.16	364.38	1.60	-106.56
CC1=CC(=O)C(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=N[N-]1	REAL300030470952	0	42	-2.0	-104.12	358.61	1.10	-103.02
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=CC(=O)N1[O-])CCO2	REAL300030470978	0	41	-2.0	-129.03	353.72	1.33	-127.70
N#CC1=CC=C(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030471008	0	41	-2.0	-108.63	369.57	-1.27	-109.90
CN1N=C(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300030471060	0	40	-2.0	-110.94	347.17	-2.42	-113.36
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C(F)C=CC(O)=C1O)CCO2	REAL300030471114	0	42	-2.0	-113.77	370.94	-1.33	-115.10
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=C(F)C=CC(O)=C1[O-])CCO2	REAL300030471114	1	42	-2.0	-113.77	370.94	-1.33	-115.10
N#CC1=CC=C([O-])C(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030471123	0	42	-2.0	-111.68	371.84	1.19	-110.49
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN([O-])C(=O)NC1=O)CCO2	REAL300030471218	0	41	-2.0	-101.20	364.96	-1.56	-102.76
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C(F)C(O)=C1)CCO2	REAL300030471274	0	41	-2.0	-95.57	355.76	0.39	-95.18
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C(F)C([O-])=C1)CCO2	REAL300030471274	1	41	-2.0	-95.57	355.76	0.39	-95.18
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C(Cl)C=C1O)CCO2	REAL300030471293	0	41	-2.0	-122.16	362.61	2.10	-120.06
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C(Cl)C=C1[O-])CCO2	REAL300030471293	1	41	-2.0	-122.16	362.61	2.10	-120.06
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NC(=O)[N-]C(=O)N1)CCO2	REAL300030471365	0	39	-2.0	-112.01	342.98	-5.00	-117.01
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NC(=O)NC(=O)[N-]1)CCO2	REAL300030471365	1	39	-2.0	-86.71	342.62	-4.39	-91.10
NC1=NC=C(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030471425	1	41	-2.0	-88.39	349.13	-2.68	-91.07
CC1=C(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C(=O)C(C#N)=C1	REAL300030471447	0	44	-2.0	-103.58	388.48	-0.63	-104.21
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C(F)C([O-])=C1F)CCO2	REAL300030471461	0	41	-2.0	-118.87	362.22	0.48	-118.39
COC1=NC(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC(=O)[N-]1	REAL300030471508	0	43	-2.0	-109.46	368.69	-4.03	-113.49
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=NC=CC(Cl)=C1[O-])CCO2	REAL300030471518	0	40	-2.0	-95.92	358.10	1.54	-94.38
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C(Cl)C([O-])=C1)CCO2	REAL300030471556	0	41	-2.0	-110.74	365.56	0.85	-109.89
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=NC=C1[O-])CCO2	REAL300030471565	0	40	-2.0	-119.47	344.47	-0.71	-120.18
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2	REAL300030471571	0	37	-2.0	-114.94	324.58	-2.60	-117.54
CC1=C([O-])N=C(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300030471596	1	40	-2.0	-112.74	356.99	-1.80	-114.54
O=C(C(=O)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1)C1=CC=C([O-])C=C1	REAL300030471692	1	43	-2.0	-92.10	375.33	0.24	-91.86
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN=C(C=N[O-])S1)CCO2	REAL300030471715	0	40	-2.0	-108.10	365.10	-1.66	-109.76
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)CCO2	REAL300030471739	1	40	-2.0	-99.33	359.92	0.90	-98.43
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(=O)NC([O-])=C1)CCO2	REAL300030471763	0	41	-2.0	-95.33	360.65	-3.86	-99.19
CCN1[N-]C(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300030471824	0	44	-2.0	-107.29	374.62	0.07	-107.22
CN1[N-]C(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300030471845	0	41	-2.0	-106.07	352.74	-0.87	-106.94
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471855	0	41	-2.0	-92.70	368.89	-3.10	-95.80
O=C(CC1=CC(=O)N[N-]1)N1CCOC2(CN(C(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030471992	1	41	-2.0	-100.62	352.53	-2.37	-102.99
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=C([O-])C(F)=C1)CCO2	REAL300030471997	1	41	-2.0	-103.02	355.75	0.41	-102.61
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC(F)=C([O-])C(F)=C1)CCO2	REAL300030472045	0	41	-2.0	-96.48	360.79	0.32	-96.16
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC=NC(Cl)=C1[O-])CCO2	REAL300030472050	0	40	-2.0	-107.50	359.81	-0.81	-108.31
CC1=C(CC(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N(C)[N-]1	REAL300030472065	0	47	-2.0	-106.13	395.45	0.05	-106.08
CC1=CN=C(C(=O)N2CCOC3(CN(C(=O)C4=CC(=O)[N-]O4)C3)C2)C([O-])=C1	REAL300030472102	1	43	-2.0	-109.86	363.28	1.69	-108.17
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CC([O-])=CS1)CCO2	REAL300030472125	0	38	-2.0	-122.89	339.77	-0.77	-123.66
O=C(C1=CC(=O)[N-]O1)N1CC2(C1)CN(C(=O)C1=CN([O-])C(=O)C=C1)CCO2	REAL300030472141	0	41	-2.0	-103.73	360.30	1.05	-102.68
O=C(C1=CC(=O)[N-]O1)N1CCOC2(CN(C(=O)C3=CN([O-])C(=O)NC3=O)C2)C1	REAL300030472171	0	41	-2.0	-112.39	353.60	-0.62	-113.01
O=C(NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=COC(=O)[N-]1	REAL300030472560	1	48	-2.0	-85.41	372.38	-0.22	-85.63
O=C(NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N[N-]1	REAL300030472639	0	49	-2.0	-84.17	377.36	0.77	-83.40
O=C(NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)N[N-]1	REAL300030472705	0	48	-2.0	-96.85	371.84	-0.59	-97.44
O=C(NC1CCCCC12CCCN(C(=O)C1=COC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030473162	1	48	-2.0	-83.10	372.33	1.37	-81.73
O=C(NC1CCCCC12CCCN(C(=O)C1=CC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030473226	0	49	-2.0	-95.58	377.18	1.23	-94.35
O=C(NC1CCCCC12CCCN(C(=O)C1=NC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030473240	0	48	-2.0	-95.35	371.77	0.63	-94.72
O=C(NC1CCCCC12CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)[N-]O1	REAL300030473415	0	48	-2.0	-101.14	371.99	1.18	-99.96
CC1CN(C(=O)C2=NNC(=O)[N-]C2=O)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474804	0	43	-2.0	-108.92	348.14	-1.65	-110.57
CC1CN(C(=O)CN2C(=O)[N-]NC2=O)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030474900	0	45	-2.0	-114.69	365.91	-0.50	-115.19
CC1CN(C(=O)C2=CN([O-])C(=O)C=C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475553	0	45	-2.0	-104.76	368.92	4.00	-100.76
CC1CN(C(=O)C2=CC(=O)NC([O-])=C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475675	0	45	-2.0	-103.05	369.32	-0.86	-103.91
CC1CN(C(=O)C2=COC(=O)[N-]2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475686	1	41	-2.0	-99.20	328.36	1.11	-98.09
CCN1[N-]C(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)=CC1=O	REAL300030475864	0	48	-2.0	-108.35	376.28	2.98	-105.37
CC1CN(C(=O)CC2=CC(=O)N[N-]2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475872	1	45	-2.0	-112.78	360.66	0.59	-112.19
CC1CN(C(=O)C2=CC=CC(=S)N2[O-])CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475891	0	45	-2.0	-110.52	371.61	3.97	-106.55
CC1CN(C(=O)CC2SC(=O)[N-]C2=O)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475901	0	45	-2.0	-99.04	373.74	-0.74	-99.78
CC1CN(C(=O)C2=NN(C)C(=O)[N-]2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030475917	0	44	-2.0	-112.43	348.90	0.37	-112.06
CC1CN(C(=O)C2=C[N-]N=CC2=O)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476009	0	43	-2.0	-93.61	333.25	1.39	-92.22
CC1CN(C(=O)C2=CC(=O)N[N-]2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476119	0	42	-2.0	-104.60	324.89	0.10	-104.50
CC1CN(C(=O)C(=O)[PH](C)(C)[O-])CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476124	0	47	-2.0	-83.52	367.48	1.38	-82.14
CC1CN(C(=O)C2=CC=CN([O-])C2=O)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476158	0	45	-2.0	-107.69	345.43	2.91	-104.78
CC1SC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)=NC1=O	REAL300030476189	0	44	-2.0	-107.43	357.01	1.87	-105.56
CC1=C([O-])N=C(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)S1	REAL300030476189	1	44	-2.0	-107.43	357.01	1.87	-105.56
CC1CN(C(=O)C2=CC(=O)C=C(Cl)N2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476203	0	44	-2.0	-98.19	364.87	4.27	-93.92
CC1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476203	1	44	-2.0	-98.19	364.87	4.27	-93.92
CC1CN(C(=O)C2=CC(=O)N([O-])C=C2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476222	0	45	-2.0	-106.56	369.21	4.04	-102.52
CC1CN(C(=O)C2=CC=CC(=O)N2[O-])CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476261	0	45	-2.0	-112.56	360.50	3.34	-109.22
CC1CN(C(=O)CC2=C([O-])N=C(N)S2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476392	0	46	-2.0	-136.57	381.26	-1.00	-137.57
CC1CN(C(=O)CC2=NC([O-])=CS2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476440	0	44	-2.0	-103.22	366.12	0.02	-103.20
CCC1=NC=C(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C(=O)N1	REAL300030476458	0	49	-2.0	-125.61	391.75	2.04	-123.57
CCC1=NC=C(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)C(=O)[N-]1	REAL300030476458	1	49	-2.0	-125.61	391.75	2.04	-123.57
CC1=CC(=O)C(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)C(C)C2)=N[N-]1	REAL300030476688	0	46	-2.0	-112.16	352.40	3.93	-108.23
CC1CN(C(=O)C2=NNC(=O)[N-]2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476704	0	41	-2.0	-109.10	327.04	-1.28	-110.38
CC1CN(C(=O)C2=CN=C(C=N[O-])S2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030476826	0	44	-2.0	-96.53	363.51	0.86	-95.67
CC1CN(C(=O)C2=CC(=O)N(C)[N-]2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477005	0	45	-2.0	-106.11	356.17	2.07	-104.04
CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477012	0	45	-2.0	-105.61	376.97	-0.05	-105.66
CC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477179	0	43	-2.0	-97.35	333.18	-1.71	-99.06
CC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477179	1	43	-2.0	-97.37	334.42	-1.06	-98.43
CC1CN(C(=O)CN2[N-]C(=O)C=CC2=O)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030477338	0	47	-2.0	-111.24	381.72	0.49	-110.75
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=NC=CC=C2[O-])C1	REAL300030477591	1	44	-2.0	-111.41	344.44	3.89	-107.52
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300030477711	0	43	-2.0	-106.77	342.95	-2.09	-108.86
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300030477867	0	45	-2.0	-108.69	356.56	-0.89	-109.58
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300030479107	1	45	-2.0	-105.31	361.12	3.29	-102.02
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300030479131	1	46	-2.0	-103.46	368.61	3.32	-100.14
CCC1=NC=C(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)[N-]1	REAL300030479205	1	49	-2.0	-102.21	374.98	1.78	-100.43
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=COC(=O)[N-]2)C1	REAL300030479221	1	41	-2.0	-102.20	327.48	0.25	-101.95
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300030479291	0	44	-2.0	-103.14	365.75	-0.31	-103.45
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300030479292	0	46	-2.0	-111.73	378.48	-0.97	-112.70
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300030479313	1	45	-2.0	-102.11	353.08	3.07	-99.04
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300030479319	0	44	-2.0	-83.97	354.18	2.60	-81.37
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300030479326	1	46	-2.0	-112.21	370.39	3.52	-108.69
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300030479329	0	44	-2.0	-108.78	350.59	2.64	-106.14
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300030479343	0	46	-2.0	-103.63	373.16	-1.57	-105.20
CC1=CC=C([O-])C(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)=N1	REAL300030479402	1	47	-2.0	-119.01	359.39	4.31	-114.70
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CCC2=NNC(=O)[N-]2)C1	REAL300030479403	0	47	-2.0	-104.17	371.36	0.11	-104.06
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=C[N-]N=CC2=O)C1	REAL300030479421	0	43	-2.0	-112.12	341.13	1.27	-110.85
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300030479429	0	45	-2.0	-108.68	350.58	2.87	-105.81
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300030479517	1	45	-2.0	-105.32	350.85	2.69	-102.63
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC(=O)N[N-]2)C1	REAL300030479609	0	42	-2.0	-103.09	331.91	0.22	-102.87
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300030479614	0	47	-2.0	-81.78	367.92	1.24	-80.54
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300030479698	0	45	-2.0	-112.00	353.81	3.50	-108.50
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=NNC(=O)[N-]2)C1	REAL300030479724	0	41	-2.0	-110.13	332.54	-0.88	-111.01
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300030479729	0	45	-2.0	-117.80	350.19	3.23	-114.57
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300030479871	0	45	-2.0	-104.46	366.27	3.67	-100.79
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300030479876	1	45	-2.0	-105.81	350.80	2.82	-102.99
CC1=CC=NC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)=C1[O-]	REAL300030479936	1	47	-2.0	-122.96	365.75	5.21	-117.75
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CN=CC([O-])=C2)C1	REAL300030480044	1	44	-2.0	-109.54	338.67	0.81	-108.73
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300030480054	0	45	-2.0	-111.99	357.14	3.91	-108.08
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300030480160	0	44	-2.0	-99.26	361.39	2.83	-96.43
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300030480203	1	45	-2.0	-101.30	361.35	3.50	-97.80
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1	REAL300030480204	0	48	-2.0	-106.25	379.77	2.50	-103.75
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2=NC([O-])=CS2)C1	REAL300030480211	0	44	-2.0	-112.17	364.10	-0.13	-112.30
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300030480225	0	47	-2.0	-111.17	378.92	0.53	-110.64
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300030480226	0	45	-2.0	-106.56	352.81	4.32	-102.24
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300030480313	0	45	-2.0	-104.17	366.73	-1.19	-105.36
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300030480333	0	45	-2.0	-100.91	357.12	2.79	-98.12
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300030480340	0	45	-2.0	-104.88	360.38	3.35	-101.53
CC1=CC(=O)C(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)=N[N-]1	REAL300030480364	0	46	-2.0	-106.67	360.18	3.81	-102.86
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300030480384	0	45	-2.0	-109.10	346.04	3.07	-106.03
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300030480406	0	45	-2.0	-121.26	367.14	1.14	-120.12
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300030480453	0	44	-2.0	-113.93	356.04	0.69	-113.24
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300030480503	0	46	-2.0	-104.14	365.20	3.23	-100.91
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300030480588	0	45	-2.0	-99.72	354.71	0.93	-98.79
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300030480636	0	45	-2.0	-117.59	356.50	3.15	-114.44
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300030480636	1	45	-2.0	-117.59	356.50	3.15	-114.44
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=C(Cl)C=C2O)C1	REAL300030480652	0	45	-2.0	-106.77	363.13	4.77	-102.00
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300030480652	1	45	-2.0	-106.77	363.13	4.77	-102.00
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300030480712	0	43	-2.0	-101.55	337.76	-1.96	-103.51
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300030480712	1	43	-2.0	-79.41	347.86	-1.38	-80.79
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300030480761	1	45	-2.0	-102.47	348.41	0.16	-102.31
CC1=C(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)[N-]C(=O)C(C#N)=C1	REAL300030480782	0	48	-2.0	-117.14	393.63	1.98	-115.16
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300030480794	0	45	-2.0	-103.93	357.07	2.77	-101.16
COC1=NC(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)=CC(=O)[N-]1	REAL300030480839	0	47	-2.0	-106.53	355.70	-1.31	-107.84
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300030480845	0	44	-2.0	-118.75	361.61	5.03	-113.72
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300030480876	0	45	-2.0	-114.12	366.29	3.63	-110.49
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=NC=C2[O-])C1	REAL300030480884	0	44	-2.0	-107.07	341.45	2.43	-104.64
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030480889	0	41	-2.0	-106.46	320.76	-0.16	-106.62
CC1=C([O-])N=C(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)S1	REAL300030480909	1	44	-2.0	-107.85	361.36	1.04	-106.81
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300030480996	1	47	-2.0	-100.40	385.27	3.43	-96.97
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300030481016	0	44	-2.0	-95.84	368.00	1.38	-94.46
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300030481036	1	44	-2.0	-97.62	354.50	3.73	-93.89
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300030481058	0	45	-2.0	-98.68	346.55	-1.81	-100.49
CCN1[N-]C(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)=CC1=O	REAL300030481115	0	48	-2.0	-85.18	378.45	2.93	-82.25
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300030481131	0	45	-2.0	-84.48	356.64	2.00	-82.48
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300030481140	0	45	-2.0	-104.84	372.34	-0.22	-105.06
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300030481251	1	45	-2.0	-108.21	358.38	0.59	-107.62
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300030481256	1	45	-2.0	-107.99	356.47	3.19	-104.80
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300030481294	0	45	-2.0	-103.44	352.70	2.71	-100.73
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300030481298	0	44	-2.0	-112.81	349.89	2.67	-110.14
CC1=C(CC(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)N(C)[N-]1	REAL300030481312	0	51	-2.0	-105.76	394.39	2.60	-103.16
CC1=CN=C(C(=O)N2CC(C)CN(C(=O)C3=CC(=O)[N-]O3)CC2C)C([O-])=C1	REAL300030481348	1	47	-2.0	-127.06	366.83	5.09	-121.97
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CC([O-])=CS2)C1	REAL300030481369	0	42	-2.0	-113.26	331.22	1.31	-111.95
CC1CN(C(=O)C2=CC(=O)[N-]O2)CC(C)N(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300030481382	0	45	-2.0	-110.76	353.40	3.52	-107.24
CC1CN(C(=O)C2=CN([O-])C(=O)NC2=O)CC(C)N(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030481409	0	45	-2.0	-100.19	355.21	0.85	-99.34
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300030482327	0	44	-2.0	-100.20	353.42	-2.78	-102.98
O=C(CN1C(=O)[N-]NC1=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030482388	0	46	-2.0	-105.89	369.45	-0.98	-106.87
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300030482816	0	46	-2.0	-112.66	366.42	3.51	-109.15
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300030482904	0	46	-2.0	-92.20	364.98	-1.52	-93.72
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300030482915	1	42	-2.0	-90.68	337.01	-1.69	-92.37
O=C([N-]C1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300030482981	0	41	-2.0	-89.44	341.49	1.86	-87.58
CCN1[N-]C(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030483039	0	49	-2.0	-97.50	386.51	1.98	-95.52
O=C(CC1=CC(=O)N[N-]1)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483046	1	46	-2.0	-107.84	364.45	0.05	-107.79
CN1N=C(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030483073	0	45	-2.0	-100.64	359.27	-0.47	-101.11
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300030483136	0	44	-2.0	-102.97	345.66	1.85	-101.12
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300030483207	0	43	-2.0	-93.53	341.97	-0.66	-94.19
C[PH](C)([O-])C(=O)C(=O)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483212	0	48	-2.0	-102.17	376.88	1.02	-101.15
O=C(CCC1=NC(=O)NN1)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483234	0	48	-2.0	-105.85	382.41	-0.80	-106.65
O=C(CCC1=NC(=O)[N-]N1)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483234	1	48	-2.0	-105.85	382.41	-0.80	-106.65
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300030483237	0	46	-2.0	-100.49	362.02	3.54	-96.95
CC1SC(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030483258	0	45	-2.0	-95.77	368.71	-0.55	-96.32
CC1=C([O-])N=C(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)S1	REAL300030483258	1	45	-2.0	-95.77	368.71	-0.55	-96.32
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300030483276	0	46	-2.0	-112.15	366.79	3.49	-108.66
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300030483301	0	46	-2.0	-125.03	361.54	4.75	-120.28
O=C(CC1=NC([O-])=CS1)NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030483420	0	45	-2.0	-116.96	370.30	-0.67	-117.63
CC1=CC(=O)C(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030483590	0	47	-2.0	-100.11	370.69	3.11	-97.00
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300030483601	0	42	-2.0	-91.30	336.45	-1.99	-93.29
CN1[N-]C(C(=O)NC2CCCC3CCC2N3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030483802	0	46	-2.0	-96.48	364.70	1.05	-95.43
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300030483908	0	44	-2.0	-103.78	357.60	-2.62	-106.40
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300030483908	1	44	-2.0	-103.78	357.60	-2.62	-106.40
O=C(NC1CCCC2CCC1N2C(=O)C1=NC=CC=C1O)C1=CC(=O)[N-]O1	REAL300030484263	0	45	-2.0	-116.94	357.90	3.49	-113.45
O=C(NC1CCCC2CCC1N2C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030484263	1	45	-2.0	-116.94	357.90	3.49	-113.45
O=C(NC1CCCC2CCC1N2C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300030484366	0	44	-2.0	-100.50	352.69	-2.22	-102.72
O=C(CN1C(=O)[N-]NC1=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030484474	0	46	-2.0	-108.22	375.33	-0.73	-108.95
N#CC1=CC([O-])=CC(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)=C1	REAL300030485410	1	47	-2.0	-97.17	383.80	3.12	-94.05
O=C(NC1CCCC2CCC1N2C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030485480	1	42	-2.0	-89.85	336.47	0.20	-89.65
O=C(NC1CCCC2CCC1N2C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300030485553	1	46	-2.0	-97.22	369.27	2.84	-94.38
O=C(NC1CCCC2CCC1N2C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300030485558	0	45	-2.0	-103.60	364.07	2.46	-101.14
N#CC1=CC=C(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)C=C1[O-]	REAL300030485561	1	47	-2.0	-92.98	378.39	3.03	-89.95
CC1=CC=C([O-])C(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)=N1	REAL300030485620	1	48	-2.0	-130.18	374.71	4.23	-125.95
O=C(NC1CCCC2CCC1N2C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300030485632	0	44	-2.0	-100.36	357.42	1.31	-99.05
O=C(NC1CCCC2CCC1N2C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300030485639	0	46	-2.0	-137.63	360.00	4.38	-133.25
O=C(NC1CCCC2CCC1N2C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300030485711	1	46	-2.0	-130.72	360.33	2.87	-127.85
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300030485786	0	43	-2.0	-93.56	341.34	-0.17	-93.73
C[PH](C)([O-])C(=O)C(=O)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030485792	0	48	-2.0	-108.34	383.10	0.65	-107.69
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030485851	0	46	-2.0	-123.35	361.85	3.34	-120.01
O=C(NC1CCCC2CCC1N2C(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300030485868	0	42	-2.0	-95.23	341.21	-0.89	-96.12
O=C(NC1CCCC2CCC1N2C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300030485873	0	46	-2.0	-120.71	332.51	1.75	-118.96
NC1=CC(=O)[N-]C(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)=N1	REAL300030485960	0	46	-2.0	-120.46	366.32	-0.22	-120.68
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030485993	1	46	-2.0	-114.19	371.96	3.45	-110.74
CC1=CC=NC(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)=C1[O-]	REAL300030486040	1	48	-2.0	-111.39	373.38	4.43	-106.96
O=C(NC1CCCC2CCC1N2C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030486108	1	45	-2.0	-104.78	354.28	0.79	-103.99
O=C(CC1=NC([O-])=CS1)N1C2CCC1C(NC(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030486210	0	45	-2.0	-119.53	376.35	-0.41	-119.94
O=C(NC1CCCC2CCC1N2C(=O)C1=C([O-])C=CC=C1F)C1=CC(=O)[N-]O1	REAL300030486223	0	46	-2.0	-117.74	374.13	3.34	-114.40
O=C(NC1CCCC2CCC1N2C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300030486224	0	46	-2.0	-112.34	369.04	3.78	-108.56
CC1=CC(=O)C(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)=N[N-]1	REAL300030486333	0	47	-2.0	-105.40	374.59	3.56	-101.84
O=C(NC1CCCC2CCC1N2C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300030486351	0	46	-2.0	-134.96	363.49	4.00	-130.96
N#CC1=CC=C(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)C(=O)[N-]1	REAL300030486371	0	46	-2.0	-101.04	382.34	1.17	-99.87
CN1N=C(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)[N-]C1=O	REAL300030486401	0	45	-2.0	-106.63	363.88	0.04	-106.59
N#CC1=CC=C(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)C([O-])=C1	REAL300030486436	0	47	-2.0	-109.57	383.45	4.12	-105.45
N#CC1=CC=C([O-])C(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)=C1	REAL300030486442	0	47	-2.0	-120.34	374.63	4.72	-115.62
O=C(NC1CCCC2CCC1N2C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300030486540	1	46	-2.0	-114.53	364.46	2.65	-111.88
O=C(NC1CCCC2CCC1N2C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300030486598	0	44	-2.0	-88.90	357.04	-1.43	-90.33
O=C(NC1CCCC2CCC1N2C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030486598	1	44	-2.0	-88.90	357.04	-1.43	-90.33
NC1=NC=C(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)C(=O)N1	REAL300030486638	0	46	-2.0	-107.75	335.50	-3.26	-111.01
NC1=NC=C(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)C(=O)[N-]1	REAL300030486638	1	46	-2.0	-107.75	335.50	-3.26	-111.01
O=C(NC1CCCC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300030486735	0	42	-2.0	-107.91	337.29	0.33	-107.58
CC1SC(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)=NC1=O	REAL300030486752	0	45	-2.0	-97.97	373.29	0.51	-97.46
CC1=C([O-])N=C(C(=O)N2C3CCC2C(NC(=O)C2=CC(=O)[N-]O2)CCC3)S1	REAL300030486752	1	45	-2.0	-97.97	373.29	0.51	-97.46
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O=C(CCC1=NC(=O)[N-]N1)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494026	1	48	-2.0	-101.15	399.98	-1.07	-102.22
O=C(NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300030494029	0	46	-2.0	-123.59	378.80	4.35	-119.24
CC1SC(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300030494050	0	45	-2.0	-96.05	390.87	-0.52	-96.57
CC1=C([O-])N=C(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030494050	1	45	-2.0	-96.05	390.87	-0.52	-96.57
O=C(NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300030494068	0	46	-2.0	-102.89	386.98	3.40	-99.49
O=C(NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300030494093	0	46	-2.0	-117.54	384.10	4.42	-113.12
O=C(CC1=NC([O-])=CS1)NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030494212	0	45	-2.0	-119.65	390.57	-0.82	-120.47
CC1=CC(=O)C(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030494382	0	47	-2.0	-99.89	393.04	3.14	-96.75
O=C(NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)N[N-]1	REAL300030494393	0	42	-2.0	-91.81	358.92	-1.93	-93.74
CN1[N-]C(C(=O)NC2CC2C2CCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030494594	0	46	-2.0	-88.70	386.82	1.06	-87.64
O=C(NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300030494700	0	44	-2.0	-92.38	377.43	-3.69	-96.07
O=C(NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300030494700	1	44	-2.0	-82.44	377.77	-2.96	-85.40
O=C(NC1CC1C1CCCN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030495055	1	45	-2.0	-112.15	378.76	2.85	-109.30
O=C(NC1CC1C1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300030495158	0	44	-2.0	-100.50	375.84	-2.44	-102.94
O=C(CN1C(=O)[N-]NC1=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030495266	0	46	-2.0	-120.92	387.08	-0.16	-121.08
N#CC1=CC([O-])=CC(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030496202	1	47	-2.0	-86.50	399.04	3.87	-82.63
O=C(NC1CC1C1CCCN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030496272	1	42	-2.0	-90.18	359.23	-0.16	-90.34
O=C(NC1CC1C1CCCN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300030496345	1	46	-2.0	-96.47	390.86	2.81	-93.66
O=C(NC1CC1C1CCCN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300030496350	0	45	-2.0	-104.34	380.81	2.94	-101.40
N#CC1=CC=C(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300030496353	1	47	-2.0	-97.50	398.37	3.93	-93.57
CC1=CC=C([O-])C(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030496412	1	48	-2.0	-113.24	397.86	3.98	-109.26
O=C(NC1CC1C1CCCN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300030496424	0	44	-2.0	-84.57	377.85	1.27	-83.30
O=C(NC1CC1C1CCCN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030496431	0	46	-2.0	-104.00	390.06	3.09	-100.91
O=C(NC1CC1C1CCCN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300030496503	1	46	-2.0	-100.42	390.33	2.76	-97.66
O=C(NC1CC1C1CCCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030496578	0	43	-2.0	-85.48	363.81	-0.24	-85.72
C[PH](C)([O-])C(=O)C(=O)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030496584	0	48	-2.0	-86.35	391.73	1.54	-84.81
O=C(NC1CC1C1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300030496643	0	46	-2.0	-103.28	394.22	3.41	-99.87
O=C(NC1CC1C1CCCN(C(=O)C2=NC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030496660	0	42	-2.0	-91.29	358.86	-0.86	-92.15
O=C(NC1CC1C1CCCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300030496665	0	46	-2.0	-100.87	387.56	3.18	-97.69
O=C(NC1CC1C1CCCN(C(=O)C2=CC(F)=CC=C2O)C1)C1=CC(=O)[N-]O1	REAL300030496785	0	46	-2.0	-99.42	382.06	4.78	-94.64
O=C(NC1CC1C1CCCN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030496785	1	46	-2.0	-99.42	382.06	4.78	-94.64
CC1=CC=NC(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)=C1O	REAL300030496832	0	48	-2.0	-112.10	399.09	3.54	-108.56
CC1=CC=NC(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300030496832	1	48	-2.0	-112.10	399.09	3.54	-108.56
O=C(NC1CC1C1CCCN(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030496900	1	45	-2.0	-95.61	372.75	1.60	-94.01
O=C(CC1=NC([O-])=CS1)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497002	0	45	-2.0	-115.79	393.71	-0.56	-116.35
O=C(NC1CC1C1CCCN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=CC(=O)[N-]O1	REAL300030497015	0	46	-2.0	-105.66	394.35	2.97	-102.69
O=C(NC1CC1C1CCCN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030497016	0	46	-2.0	-109.25	390.62	3.11	-106.14
CC1=CC(=O)C(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030497125	0	47	-2.0	-100.59	393.03	3.46	-97.13
O=C(NC1CC1C1CCCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300030497143	0	46	-2.0	-119.05	394.03	3.17	-115.88
N#CC1=CC=C(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030497163	0	46	-2.0	-90.78	397.78	1.00	-89.78
CN1N=C(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030497193	0	45	-2.0	-91.80	380.87	-0.10	-91.90
N#CC1=CC=C(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030497228	0	47	-2.0	-124.12	398.93	4.28	-119.84
N#CC1=CC=C([O-])C(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030497234	0	47	-2.0	-92.12	405.74	3.50	-88.62
O=C(NC1CC1C1CCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030497332	1	46	-2.0	-92.90	384.40	3.56	-89.34
O=C(NC1CC1C1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300030497390	0	44	-2.0	-81.61	377.73	-2.00	-83.61
O=C(NC1CC1C1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030497390	1	44	-2.0	-81.61	377.73	-2.00	-83.61
NC1=NC=C(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030497430	0	46	-2.0	-88.03	386.10	-0.16	-88.19
NC1=NC=C(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030497430	1	46	-2.0	-88.03	386.10	-0.16	-88.19
O=C(NC1CC1C1CCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300030497527	0	42	-2.0	-96.42	359.05	-0.16	-96.58
CC1SC(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300030497544	0	45	-2.0	-95.39	391.10	0.53	-94.86
CC1=C([O-])N=C(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030497544	1	45	-2.0	-95.39	391.10	0.53	-94.86
O=C(NC1CC1C1CCCN(C(=O)C(=O)C2=CC=C(O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300030497623	0	48	-2.0	-94.66	410.56	2.73	-91.93
O=C(NC1CC1C1CCCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300030497623	1	48	-2.0	-94.66	410.56	2.73	-91.93
O=C(NC1CC1C1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030497661	0	46	-2.0	-102.32	389.33	-0.71	-103.03
CCN1[N-]C(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030497706	0	49	-2.0	-97.78	408.68	2.40	-95.38
CN1[N-]C(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030497722	0	46	-2.0	-88.02	386.56	1.47	-86.55
O=C(CC1=CC(=O)NN1)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497812	0	46	-2.0	-105.97	387.86	0.16	-105.81
O=C(CC1=CC(=O)N[N-]1)N1CCCC(C2CC2NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030497812	1	46	-2.0	-105.97	387.86	0.16	-105.81
O=C(NC1CC1C1CCCN(C(=O)C2=CC=C(O)C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300030497816	0	46	-2.0	-93.00	384.37	3.58	-89.42
O=C(NC1CC1C1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300030497816	1	46	-2.0	-93.00	384.37	3.58	-89.42
CC1=CN=C(C(=O)N2CCCC(C3CC3NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030497885	1	48	-2.0	-113.90	397.68	4.04	-109.86
O=C(NC1CC1C1CCCN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300030497898	0	43	-2.0	-98.98	368.51	2.44	-96.54
O=C(NC1CC1C1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300030497911	0	46	-2.0	-105.89	382.53	4.00	-101.89
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300030499638	0	42	-2.0	-100.45	352.23	-5.65	-106.10
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CN2C(=O)[N-]NC2=O)C1	REAL300030499729	0	44	-2.0	-107.58	366.11	-4.23	-111.81
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300030500355	0	44	-2.0	-108.24	363.26	0.48	-107.76
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300030500475	0	44	-2.0	-96.75	363.54	-4.65	-101.40
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=COC(=O)[N-]2)C1	REAL300030500486	1	40	-2.0	-100.57	335.61	-4.81	-105.38
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(C[N-]C(=O)C(F)(F)C(F)(F)F)C1	REAL300030500580	1	39	-2.0	-96.93	342.08	-1.35	-98.28
CCN1[N-]C(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030500662	0	47	-2.0	-102.71	385.18	-0.95	-103.66
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=CC=CC(=S)N2[O-])C1	REAL300030500688	0	44	-2.0	-126.76	372.08	2.53	-124.23
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2SC(=O)[N-]C2=O)C1	REAL300030500698	0	44	-2.0	-96.66	374.45	-4.44	-101.10
CN1N=C(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030500714	0	43	-2.0	-104.63	357.95	-3.40	-108.03
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=C[N-]N=CC2=O)C1	REAL300030500805	0	42	-2.0	-94.76	344.66	-1.68	-96.44
CC1=C(CC(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300030500849	0	50	-2.0	-116.20	403.92	-0.79	-116.99
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=CC(=O)N[N-]2)C1	REAL300030500912	0	41	-2.0	-99.87	340.43	-3.83	-103.70
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C(=O)[PH](C)(C)[O-])C1	REAL300030500917	0	46	-2.0	-96.91	374.62	-2.09	-99.00
CN1[N-]C(CC(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030500920	0	47	-2.0	-106.66	383.93	-1.48	-108.14
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CCC2=NC(=O)[N-]N2)C1	REAL300030500945	1	46	-2.0	-105.66	376.36	-4.17	-109.83
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=CC=CN([O-])C2=O)C1	REAL300030500949	0	44	-2.0	-114.55	360.83	0.59	-113.96
CC1=C([O-])N=C(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300030500978	1	43	-2.0	-109.00	367.21	-3.45	-112.45
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300030500992	1	43	-2.0	-95.19	370.82	-0.29	-95.48
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300030501011	0	44	-2.0	-109.13	363.68	0.49	-108.64
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=CC=CC(=O)N2[O-])C1	REAL300030501046	0	44	-2.0	-125.85	360.97	1.50	-124.35
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300030501175	0	43	-2.0	-99.19	370.56	-3.94	-103.13
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2=C([O-])N=C(N)S2)C1	REAL300030501176	0	45	-2.0	-111.04	381.76	-4.79	-115.83
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CC2=NC([O-])=CS2)C1	REAL300030501224	0	43	-2.0	-108.55	366.95	-3.92	-112.47
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300030501251	0	45	-2.0	-101.39	376.45	-5.35	-106.74
CC1=CC(=O)C(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030501470	0	45	-2.0	-104.94	369.38	0.22	-104.72
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=NNC(=O)[N-]2)C1	REAL300030501485	0	40	-2.0	-101.65	335.16	-5.04	-106.69
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=CN=C(C=N[O-])S2)C1	REAL300030501602	0	43	-2.0	-104.29	376.05	-1.98	-106.27
COC1=NC(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030501617	0	46	-2.0	-101.43	381.39	-5.57	-107.00
CN1[N-]C(C(=O)NCC2CN(C)CCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030501778	0	44	-2.0	-102.95	363.25	-2.12	-105.07
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CSC2=NNC(=O)[N-]2)C1	REAL300030501785	0	44	-2.0	-98.71	377.41	-4.00	-102.71
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300030501947	0	42	-2.0	-101.55	353.79	-6.64	-108.19
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300030502098	0	46	-2.0	-107.67	382.22	-3.25	-110.92
CN1CCN(C(=O)C2=NC=CC=C2O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502351	0	43	-2.0	-113.05	355.76	-0.39	-113.44
CN1CCN(C(=O)C2=NC=CC=C2[O-])C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502351	1	43	-2.0	-113.05	355.76	-0.39	-113.44
CN1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502467	0	42	-2.0	-106.51	352.32	-5.60	-112.11
CN1CCN(C(=O)CN2C(=O)[N-]NC2=O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030502616	0	44	-2.0	-99.69	370.22	-4.88	-104.57
CN1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503801	1	44	-2.0	-106.60	378.18	0.48	-106.12
CN1CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503824	1	45	-2.0	-92.94	381.16	0.01	-92.93
CN1CCN(C(=O)C2=COC(=O)[N-]2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503911	1	40	-2.0	-92.85	335.39	-3.10	-95.95
CN1CCN(C(=O)C[N-]C(=O)C(F)(F)F)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503980	0	43	-2.0	-90.38	375.35	-4.59	-94.97
CN1CCN(C(=O)CC2=C([O-])N=C(N)S2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030503981	0	45	-2.0	-110.86	386.52	-5.33	-116.19
CN1CCN(C(=O)C2=CC=C([O-])C=C2F)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504001	1	44	-2.0	-98.60	368.11	-0.26	-98.86
CN1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504007	0	43	-2.0	-98.76	361.16	-1.21	-99.97
CN1CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504013	1	45	-2.0	-94.23	382.41	0.11	-94.12
CN1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504016	0	43	-2.0	-107.07	369.30	-0.72	-107.79
CN1CCN(C(=O)CN2N=CC(=O)[N-]C2=O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504030	0	45	-2.0	-103.88	381.13	-5.98	-109.86
CN1CCN(C(=O)C2=C[N-]N=CC2=O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504104	0	42	-2.0	-90.66	350.02	-1.87	-92.53
CN1CCN(C(=O)C2=CC=CC(F)=C2[O-])C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504111	0	44	-2.0	-117.99	364.14	0.84	-117.15
CN1CCN(C(=O)C2=CC=CC([O-])=C2F)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504196	1	44	-2.0	-114.45	364.44	-0.26	-114.71
CN1CCN(C(=O)C2=CC(=O)N[N-]2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504285	0	41	-2.0	-98.72	340.45	-3.16	-101.88
CN1CCN(C(=O)C(=O)[PH](C)(C)[O-])C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504290	0	46	-2.0	-97.01	374.93	-2.20	-99.21
CN1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504372	0	44	-2.0	-113.82	366.33	0.18	-113.64
CN1CCN(C(=O)C2=NNC(=O)[N-]2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504397	0	40	-2.0	-103.52	335.15	-4.65	-108.17
CN1CCN(C(=O)C2=CC=CN([O-])C2=O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504402	0	44	-2.0	-109.48	366.33	0.13	-109.35
CN1CCN(C(=O)C2=CC(F)=CC=C2O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504544	0	44	-2.0	-105.85	367.87	0.04	-105.81
CN1CCN(C(=O)C2=CC(F)=CC=C2[O-])C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504544	1	44	-2.0	-105.85	367.87	0.04	-105.81
CC1=CC=NC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1O	REAL300030504604	0	46	-2.0	-112.76	375.93	0.40	-112.36
CC1=CC=NC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300030504604	1	46	-2.0	-112.76	375.93	0.40	-112.36
CN1CCN(C(=O)C2=CC=CC(=S)N2[O-])C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504716	0	44	-2.0	-131.07	378.20	1.04	-130.03
CN1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504818	0	43	-2.0	-90.23	371.21	-0.74	-90.97
CN1CCN(C(=O)C2=CC=C([O-])C=C2Cl)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504859	1	44	-2.0	-96.93	376.74	0.17	-96.76
CN1CCN(C(=O)CC2=NC([O-])=CS2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504866	0	43	-2.0	-114.61	371.67	-4.49	-119.10
CN1CCN(C(=O)CN2[N-]C(=O)C=CC2=O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504880	0	46	-2.0	-100.59	386.94	-3.89	-104.48
CN1CCN(C(=O)C2=CC=C(F)C=C2[O-])C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504881	0	44	-2.0	-108.92	367.85	0.05	-108.87
CN1CCN(C(=O)CC2SC(=O)[N-]C2=O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504967	0	44	-2.0	-89.81	378.80	-5.26	-95.07
CN1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504987	0	44	-2.0	-102.52	370.64	-0.20	-102.72
CN1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030504994	0	44	-2.0	-112.14	373.95	1.29	-110.85
CC1=CC(=O)C(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030505018	0	45	-2.0	-103.71	369.53	0.28	-103.43
CN1CCN(C(=O)C2=CC=CC(=O)N2[O-])C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505037	0	44	-2.0	-127.86	367.09	0.38	-127.48
CN1CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505059	0	44	-2.0	-86.03	370.35	-2.42	-88.45
CN1N=C(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030505103	0	43	-2.0	-106.94	357.91	-2.99	-109.93
CN1CCN(C(=O)C2=CC(C#N)=CC=C2[O-])C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505153	0	45	-2.0	-102.57	382.29	0.40	-102.17
CN1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505237	0	44	-2.0	-96.98	371.34	-2.39	-99.37
CN1CCN(C(=O)C2=CC=C(F)C(O)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505282	0	44	-2.0	-98.42	368.46	-0.27	-98.69
CN1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505282	1	44	-2.0	-98.42	368.46	-0.27	-98.69
CN1CCN(C(=O)C2=CC=C(Cl)C=C2O)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505298	0	44	-2.0	-108.74	378.18	0.50	-108.24
CN1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505298	1	44	-2.0	-108.74	378.18	0.50	-108.24
CN1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505356	0	42	-2.0	-96.27	353.62	-5.61	-101.88
CN1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505437	0	44	-2.0	-113.71	370.61	-0.22	-113.93
COC1=NC(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030505480	0	46	-2.0	-103.99	380.56	-4.77	-108.76
CN1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505486	0	43	-2.0	-113.06	368.90	0.59	-112.47
CN1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505517	0	44	-2.0	-94.97	378.25	0.23	-94.74
CN1CCN(C(=O)C2=CC=NC=C2[O-])C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505525	0	43	-2.0	-108.81	356.63	-1.93	-110.74
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505530	0	40	-2.0	-102.39	335.18	-3.34	-105.73
CC1=C([O-])N=C(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030505549	1	43	-2.0	-96.61	367.47	-2.51	-99.12
CN1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505634	1	46	-2.0	-104.22	378.60	-0.16	-104.38
CN1CCN(C(=O)C2=CN=C(C=N[O-])S2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505652	0	43	-2.0	-106.37	377.19	-2.32	-108.69
CN1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505672	1	43	-2.0	-94.71	370.94	0.27	-94.44
CN1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505692	0	44	-2.0	-94.70	364.77	-4.84	-99.54
CCN1[N-]C(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030505749	0	47	-2.0	-103.17	385.00	-0.53	-103.70
CN1[N-]C(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030505765	0	44	-2.0	-102.39	362.97	-1.63	-104.02
CN1CCN(C(=O)CSC2=NNC(=O)[N-]2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505774	0	44	-2.0	-93.89	382.20	-4.54	-98.43
CN1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505889	1	44	-2.0	-98.12	368.43	-0.22	-98.34
CN1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505926	0	44	-2.0	-98.78	370.94	-0.30	-99.08
CN1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030505930	0	43	-2.0	-112.38	368.61	-0.70	-113.08
CC1=C(CC(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300030505944	0	50	-2.0	-103.04	408.03	-1.38	-104.42
CC1=CN=C(C(=O)N2CCN(C)CC2CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030505979	1	46	-2.0	-114.83	377.04	0.34	-114.49
CN1CCN(C(=O)C2=CC([O-])=CS2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030506000	0	41	-2.0	-106.80	351.60	-1.46	-108.26
CN1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030506013	0	44	-2.0	-113.67	365.50	0.21	-113.46
CN1CCN(C(=O)C2=CC(=O)[N-]O2)C(CNC(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300030506039	0	44	-2.0	-98.56	366.01	-2.10	-100.66
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1=NNC(=O)[N-]C1=O	REAL300030506957	0	44	-2.0	-96.93	368.87	-3.21	-100.14
O=C(CN1C(=O)[N-]NC1=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507018	0	46	-2.0	-100.66	378.29	-1.24	-101.90
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1=CN([O-])C(=O)C=C1	REAL300030507446	0	46	-2.0	-107.85	379.88	2.95	-104.90
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1=CC(=O)NC([O-])=C1	REAL300030507534	0	46	-2.0	-90.14	380.15	-1.96	-92.10
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1=COC(=O)[N-]1	REAL300030507545	1	42	-2.0	-91.54	352.49	-2.13	-93.67
O=C([N-]C1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C(F)(F)C(F)(F)F	REAL300030507611	0	41	-2.0	-90.44	357.78	1.17	-89.27
CCN1[N-]C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)=CC1=O	REAL300030507669	0	49	-2.0	-95.25	401.58	1.48	-93.77
O=C(CC1=CC(=O)N[N-]1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507676	1	46	-2.0	-102.36	373.32	-0.18	-102.54
CN1N=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)[N-]C1=O	REAL300030507703	0	45	-2.0	-97.89	374.28	-0.95	-98.84
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1=C[N-]N=CC1=O	REAL300030507766	0	44	-2.0	-84.97	357.08	1.32	-83.65
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1=CC(=O)N[N-]1	REAL300030507837	0	43	-2.0	-91.51	357.03	-1.16	-92.67
C[PH](C)([O-])C(=O)C(=O)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507842	0	48	-2.0	-92.13	391.19	0.50	-91.63
O=C(CCC1=NC(=O)[N-]N1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030507864	1	48	-2.0	-100.48	388.58	-1.14	-101.62
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1=CC=CN([O-])C1=O	REAL300030507867	0	46	-2.0	-103.83	377.77	3.09	-100.74
CC1=C([O-])N=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)S1	REAL300030507888	1	45	-2.0	-97.41	384.08	-1.02	-98.43
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1=CC(=O)N([O-])C=C1	REAL300030507906	0	46	-2.0	-107.19	375.94	3.24	-103.95
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1=CC=CC(=O)N1[O-]	REAL300030507931	0	46	-2.0	-124.23	373.19	4.22	-120.01
O=C(CC1=NC([O-])=CS1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12	REAL300030508050	0	45	-2.0	-116.23	379.17	-0.90	-117.13
CC1=CC(=O)C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)=N[N-]1	REAL300030508220	0	47	-2.0	-97.08	386.07	2.64	-94.44
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1=NC(=O)N[N-]1	REAL300030508231	0	42	-2.0	-91.35	351.63	-2.44	-93.79
CN1[N-]C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3CCCCC23)=CC1=O	REAL300030508432	0	46	-2.0	-94.20	375.71	0.86	-93.34
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1=NC(=O)[N-]C(=O)N1	REAL300030508538	0	44	-2.0	-88.00	366.47	-3.15	-91.15
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1=NC(=O)NC(=O)[N-]1	REAL300030508538	1	44	-2.0	-88.00	366.47	-3.15	-91.15
O=C(NC1CN(C(=O)C2=NC=CC=C2[O-])C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030508893	1	45	-2.0	-101.60	363.79	3.04	-98.56
O=C(NC1CN(C(=O)C2=NNC(=O)[N-]C2=O)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030508990	0	44	-2.0	-91.97	368.11	-3.03	-95.00
O=C(CN1C(=O)[N-]NC1=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030509086	0	46	-2.0	-95.64	381.20	-1.13	-96.77
N#CC1=CC([O-])=CC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)=C1	REAL300030509873	1	47	-2.0	-91.67	390.30	2.82	-88.85
O=C(NC1CN(C(=O)C2=COC(=O)[N-]2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030509931	1	42	-2.0	-95.77	352.12	-1.18	-96.95
O=C(NC1CN(C(=O)C2=CC=C([O-])C=C2F)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030510001	1	46	-2.0	-92.26	380.23	2.23	-90.03
O=C(NC1CN(C(=O)C2=CC([O-])=CC(=O)O2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030510006	0	45	-2.0	-92.35	376.74	1.60	-90.75
N#CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C=C1[O-]	REAL300030510008	1	47	-2.0	-95.02	394.38	2.62	-92.40
CC1=CC=C([O-])C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)=N1	REAL300030510059	1	48	-2.0	-103.01	385.87	3.59	-99.42
O=C(NC1CN(C(=O)C2=C[N-]N=CC2=O)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030510071	0	44	-2.0	-89.67	370.31	0.81	-88.86
O=C(NC1CN(C(=O)C2=CC=CC(F)=C2[O-])C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030510076	0	46	-2.0	-102.13	379.93	3.23	-98.90
O=C(NC1CN(C(=O)C2=CC=CC([O-])=C2F)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030510137	1	46	-2.0	-99.64	380.09	2.22	-97.42
O=C(NC1CN(C(=O)C2=CC(=O)N[N-]2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030510200	0	43	-2.0	-90.25	356.69	-0.87	-91.12
C[PH](C)([O-])C(=O)C(=O)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510205	0	48	-2.0	-90.18	390.03	0.25	-89.93
O=C(NC1CN(C(=O)C2=CC(=O)N([O-])C=C2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030510257	0	46	-2.0	-105.42	387.17	2.95	-102.47
O=C(NC1CN(C(=O)C2=NC(=O)N[N-]2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030510274	0	42	-2.0	-92.72	346.91	-1.40	-94.12
O=C(NC1CN(C(=O)C2=CC=CN([O-])C2=O)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030510278	0	46	-2.0	-112.91	386.74	2.91	-110.00
O=C(NC1CN(C(=O)C2=CC(F)=CC=C2O)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030510380	0	46	-2.0	-95.96	379.95	3.34	-92.62
O=C(NC1CN(C(=O)C2=CC(F)=CC=C2[O-])C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030510380	1	46	-2.0	-95.96	379.95	3.34	-92.62
CC1=CC=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)=C1O	REAL300030510424	0	48	-2.0	-101.81	384.10	3.72	-98.09
CC1=CC=NC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)=C1[O-]	REAL300030510424	1	48	-2.0	-101.81	384.10	3.72	-98.09
O=C(NC1CN(C(=O)C2=CN=CC(O)=C2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030510487	0	45	-2.0	-95.78	365.98	0.25	-95.53
O=C(NC1CN(C(=O)C2=CN=CC([O-])=C2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030510487	1	45	-2.0	-95.78	365.98	0.25	-95.53
O=C(CC1=NC([O-])=CS1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030510578	0	45	-2.0	-102.46	381.92	-0.75	-103.21
CC1=CC(=O)C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)=N[N-]1	REAL300030510680	0	47	-2.0	-94.80	385.30	2.84	-91.96
O=C(NC1CN(C(=O)C2=CC=CC(=O)N2[O-])C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030510693	0	46	-2.0	-115.15	386.13	2.74	-112.41
N#CC1=CC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C(=O)[N-]1	REAL300030510709	0	46	-2.0	-93.55	396.08	0.67	-92.88
CN1N=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)[N-]C1=O	REAL300030510734	0	45	-2.0	-96.05	369.66	-0.37	-96.42
N#CC1=CC=C([O-])C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)=C1	REAL300030510770	0	47	-2.0	-93.25	394.39	3.70	-89.55
O=C(NC1CN(C(=O)C2=CC=C(F)C([O-])=C2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030510855	1	46	-2.0	-99.40	380.39	2.23	-97.17
O=C(NC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030510902	0	44	-2.0	-89.25	365.77	-2.35	-91.60
O=C(NC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030510902	1	44	-2.0	-89.25	365.77	-2.35	-91.60
NC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C(=O)N1	REAL300030510933	0	46	-2.0	-98.57	385.01	-0.54	-99.11
NC1=NC=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C(=O)[N-]1	REAL300030510933	1	46	-2.0	-98.57	385.01	-0.54	-99.11
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030511017	0	42	-2.0	-94.47	347.60	-0.36	-94.83
CC1SC(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)=NC1=O	REAL300030511031	0	45	-2.0	-101.02	379.05	0.06	-100.96
CC1=C([O-])N=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)S1	REAL300030511031	1	45	-2.0	-101.02	379.05	0.06	-100.96
O=C(NC1CN(C(=O)C(=O)C2=CC=C(O)C=C2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030511102	0	48	-2.0	-90.30	389.94	2.61	-87.69
O=C(NC1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030511102	1	48	-2.0	-90.30	389.94	2.61	-87.69
O=C(NC1CN(C(=O)C2=CC(=O)NC([O-])=C2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030511134	0	46	-2.0	-89.01	382.45	-1.68	-90.69
CCN1[N-]C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)=CC1=O	REAL300030511176	0	49	-2.0	-92.83	401.24	1.78	-91.05
CN1[N-]C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)=CC1=O	REAL300030511188	0	46	-2.0	-92.21	379.43	0.84	-91.37
O=C(CC1=CC(=O)NN1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030511258	0	46	-2.0	-95.26	376.19	-0.07	-95.33
O=C(CC1=CC(=O)N[N-]1)N1CC(NC(=O)C2=CC(=O)[N-]O2)C2CCCCC21	REAL300030511258	1	46	-2.0	-95.26	376.19	-0.07	-95.33
O=C(NC1CN(C(=O)C2=CC=C(O)C(F)=C2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030511262	0	46	-2.0	-94.25	380.38	2.28	-91.97
O=C(NC1CN(C(=O)C2=CC=C([O-])C(F)=C2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030511262	1	46	-2.0	-94.25	380.38	2.28	-91.97
CC1=CN=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C(O)=C1	REAL300030511320	0	48	-2.0	-103.24	385.23	3.67	-99.57
CC1=CN=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)C3CCCCC32)C([O-])=C1	REAL300030511320	1	48	-2.0	-103.24	385.23	3.67	-99.57
O=C(NC1CN(C(=O)C2=CC([O-])=CS2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030511332	0	43	-2.0	-97.24	363.31	1.14	-96.10
O=C(NC1CN(C(=O)C2=CN([O-])C(=O)C=C2)C2CCCCC12)C1=CC(=O)[N-]O1	REAL300030511343	0	46	-2.0	-100.63	382.54	3.26	-97.37
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C2=NNC(=O)[N-]C2=O)O1	REAL300030512149	0	44	-2.0	-92.06	374.04	-4.95	-97.01
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)CN2C(=O)[N-]NC2=O)O1	REAL300030512199	0	46	-2.0	-95.26	388.50	-3.18	-98.44
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C2=CN([O-])C(=O)C=C2)O1	REAL300030512565	0	46	-2.0	-102.74	385.11	1.19	-101.55
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C2=CC(=O)NC([O-])=C2)O1	REAL300030512640	0	46	-2.0	-85.52	385.65	-3.52	-89.04
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C2=COC(=O)[N-]2)O1	REAL300030512651	1	42	-2.0	-87.96	357.65	-3.88	-91.84
CCN1[N-]C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)=CC1=O	REAL300030512760	0	49	-2.0	-90.93	407.09	-0.06	-90.99
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)CC2=CC(=O)N[N-]2)O1	REAL300030512767	1	46	-2.0	-97.29	382.88	-2.18	-99.47
CN1N=C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)[N-]C1=O	REAL300030512788	0	45	-2.0	-93.87	379.73	-2.68	-96.55
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C2=C[N-]N=CC2=O)O1	REAL300030512842	0	44	-2.0	-82.36	366.44	-0.65	-83.01
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C2=CC(=O)N[N-]2)O1	REAL300030512905	0	43	-2.0	-87.68	362.48	-2.89	-90.57
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C(=O)[PH](C)(C)[O-])O1	REAL300030512910	0	48	-2.0	-88.62	397.00	-1.27	-89.89
CN1[N-]C(CC(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)=CC1=O	REAL300030512912	0	49	-2.0	-99.79	405.71	-0.46	-100.25
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)CCC2=NC(=O)[N-]N2)O1	REAL300030512930	1	48	-2.0	-96.64	398.76	-3.10	-99.74
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C2=CC=CN([O-])C2=O)O1	REAL300030512932	0	46	-2.0	-100.98	382.70	1.35	-99.63
CC1=C([O-])N=C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)S1	REAL300030512952	1	45	-2.0	-93.18	389.08	-2.56	-95.74
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C2=CC(=O)N([O-])C=C2)O1	REAL300030512968	0	46	-2.0	-102.74	385.83	1.30	-101.44
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C2=CC=CC(=O)N2[O-])O1	REAL300030512992	0	46	-2.0	-119.34	382.36	2.27	-117.07
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)CC2=NC([O-])=CS2)O1	REAL300030513101	0	45	-2.0	-108.65	388.72	-2.90	-111.55
CC1=CC(=O)C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)=N[N-]1	REAL300030513249	0	47	-2.0	-92.68	391.26	1.10	-91.58
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C2=NC(=O)N[N-]2)O1	REAL300030513259	0	42	-2.0	-87.02	357.14	-3.99	-91.01
CN1[N-]C(C(=O)NCC2CN(C(=O)C3=CC(=O)[N-]O3)CC(C)(C)O2)=CC1=O	REAL300030513432	0	46	-2.0	-90.10	385.36	-0.99	-91.09
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C2=NC(=O)[N-]C(=O)N2)O1	REAL300030513520	0	44	-2.0	-84.27	376.25	-5.19	-89.46
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C2=NC(=O)NC(=O)[N-]2)O1	REAL300030513520	1	44	-2.0	-84.27	376.25	-5.19	-89.46
CC1(C)CN(C(=O)C2=NC=CC=C2[O-])CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030513870	1	45	-2.0	-97.47	376.81	0.84	-96.63
CC1(C)CN(C(=O)C2=NNC(=O)[N-]C2=O)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030513963	0	44	-2.0	-90.17	374.33	-4.54	-94.71
CC1(C)CN(C(=O)CN2C(=O)[N-]NC2=O)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030514053	0	46	-2.0	-91.90	391.09	-3.03	-94.93
CC1(C)CN(C(=O)C2=COC(=O)[N-]2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030514897	1	42	-2.0	-86.26	357.48	-2.24	-88.50
CC1(C)CN(C(=O)C2=CC=C([O-])C=C2F)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030514964	1	46	-2.0	-90.09	388.66	0.70	-89.39
CC1(C)CN(C(=O)C2=CC([O-])=CC(=O)O2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030514967	0	45	-2.0	-88.06	384.90	0.03	-88.03
CC1=CC=C([O-])C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)=N1	REAL300030515017	1	48	-2.0	-97.48	396.34	1.85	-95.63
CC1(C)CN(C(=O)C2=C[N-]N=CC2=O)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515027	0	44	-2.0	-80.71	369.02	-0.92	-81.63
CC1(C)CN(C(=O)C2=CC=CC(F)=C2[O-])CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515034	0	46	-2.0	-102.53	388.31	1.51	-101.02
CC1(C)CN(C(=O)C2=CC=CC([O-])=C2F)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515092	1	46	-2.0	-100.38	388.54	0.62	-99.76
CC1(C)CN(C(=O)C2=CC(=O)N[N-]2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515162	0	43	-2.0	-85.39	362.63	-2.35	-87.74
CC1(C)CN(C(=O)C(=O)[PH](C)(C)[O-])CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515167	0	48	-2.0	-83.97	397.45	-0.83	-84.80
CC1(C)CN(C(=O)C2=CC(=O)N([O-])C=C2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515215	0	46	-2.0	-102.61	387.69	1.15	-101.46
CC1(C)CN(C(=O)C2=NNC(=O)[N-]2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515231	0	42	-2.0	-88.78	357.04	-3.79	-92.57
CC1(C)CN(C(=O)C2=CC=CN([O-])C2=O)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515236	0	46	-2.0	-99.01	385.61	1.13	-97.88
CC1(C)CN(C(=O)C2=CC(F)=CC=C2O)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515338	0	46	-2.0	-93.93	388.50	1.53	-92.40
CC1(C)CN(C(=O)C2=CC(F)=CC=C2[O-])CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515338	1	46	-2.0	-93.93	388.50	1.53	-92.40
CC1=CC=NC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)=C1O	REAL300030515380	0	48	-2.0	-96.90	395.07	1.95	-94.95
CC1=CC=NC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)=C1[O-]	REAL300030515380	1	48	-2.0	-96.90	395.07	1.95	-94.95
CC1(C)CN(C(=O)C2=CN=CC(O)=C2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515436	0	45	-2.0	-91.60	375.66	-1.38	-92.98
CC1(C)CN(C(=O)C2=CN=CC([O-])=C2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515436	1	45	-2.0	-91.60	375.66	-1.38	-92.98
CC1(C)CN(C(=O)CC2=NC([O-])=CS2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515521	0	45	-2.0	-105.04	391.94	-2.64	-107.68
CC1=CC(=O)C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)=N[N-]1	REAL300030515620	0	47	-2.0	-88.80	391.53	1.34	-87.46
CC1(C)CN(C(=O)C2=CC=CC(=O)N2[O-])CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515635	0	46	-2.0	-106.94	392.11	1.04	-105.90
CN1N=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)[N-]C1=O	REAL300030515679	0	45	-2.0	-91.31	379.80	-2.12	-93.43
CC1(C)CN(C(=O)C2=CC=C(F)C(O)=C2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515798	0	46	-2.0	-97.60	388.15	0.60	-97.00
CC1(C)CN(C(=O)C2=CC=C(F)C([O-])=C2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515798	1	46	-2.0	-97.60	388.15	0.60	-97.00
CC1(C)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515845	0	44	-2.0	-89.14	375.89	-4.79	-93.93
CC1(C)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515845	1	44	-2.0	-82.26	376.00	-3.98	-86.24
CC1(C)CN(C(=O)C2=CN=C(N)[N-]C2=O)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515880	1	46	-2.0	-85.94	383.08	-2.32	-88.26
CC1(C)CN(C(=O)C2=CC=NC=C2[O-])CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515962	0	45	-2.0	-96.71	377.39	-0.92	-97.63
CC1(C)CN(C(=O)C2=CC(=O)[N-]O2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030515967	0	42	-2.0	-90.56	357.22	-2.40	-92.96
CC1=C([O-])N=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)S1	REAL300030515982	1	45	-2.0	-93.07	389.35	-1.50	-94.57
CC1(C)CN(C(=O)C2=CC(=O)NC([O-])=C2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030516078	0	46	-2.0	-83.42	390.36	-3.75	-87.17
CCN1[N-]C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)=CC1=O	REAL300030516119	0	49	-2.0	-87.98	406.81	0.26	-87.72
CN1[N-]C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)=CC1=O	REAL300030516135	0	46	-2.0	-87.61	385.39	-0.65	-88.26
CC1(C)CN(C(=O)CC2=CC(=O)N[N-]2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030516213	1	46	-2.0	-94.01	386.09	-1.94	-95.95
CC1(C)CN(C(=O)C2=CC=C([O-])C(F)=C2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030516217	1	46	-2.0	-92.20	388.14	0.63	-91.57
CC1=CN=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)OC(C)(C)C2)C([O-])=C1	REAL300030516278	1	48	-2.0	-98.69	398.27	1.48	-97.21
CC1(C)CN(C(=O)C2=CC([O-])=CS2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030516291	0	43	-2.0	-95.49	372.39	-0.48	-95.97
CC1(C)CN(C(=O)C2=CN([O-])C(=O)C=C2)CC(CNC(=O)C2=CC(=O)[N-]O2)O1	REAL300030516302	0	46	-2.0	-102.37	392.87	1.27	-101.10
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3=NNC(=O)[N-]C3=O)C2)CC1	REAL300030517211	0	44	-2.0	-96.33	370.09	-2.05	-98.38
O=C(CN1C(=O)[N-]NC1=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517272	0	46	-2.0	-97.93	387.03	-0.43	-98.36
O=C(C1=CN([O-])C(=O)C=C1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517700	0	46	-2.0	-107.83	379.30	3.64	-104.19
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3=CC(=O)NC([O-])=C3)C2)CC1	REAL300030517788	0	46	-2.0	-90.49	379.90	-1.16	-91.65
O=C(C1=COC(=O)[N-]1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517799	1	42	-2.0	-89.43	354.04	-0.50	-89.93
CCN1[N-]C(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC1=O	REAL300030517923	0	49	-2.0	-94.21	403.61	2.65	-91.56
O=C(CC1=CC(=O)N[N-]1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030517930	1	46	-2.0	-100.29	382.02	0.62	-99.67
CN1N=C(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)[N-]C1=O	REAL300030517957	0	45	-2.0	-97.55	376.85	0.25	-97.30
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3=C[N-]N=CC3=O)C2)CC1	REAL300030518020	0	44	-2.0	-93.63	362.01	2.79	-90.84
O=C(C1=CC(=O)N[N-]1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518091	0	43	-2.0	-90.54	359.07	0.02	-90.52
C[PH](C)([O-])C(=O)C(=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518096	0	48	-2.0	-91.72	392.16	1.15	-90.57
O=C(CCC1=NC(=O)NN1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518118	0	48	-2.0	-99.33	397.35	-0.29	-99.62
O=C(CCC1=NC(=O)[N-]N1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518118	1	48	-2.0	-99.33	397.35	-0.29	-99.62
O=C(C1=CC=CN([O-])C1=O)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518121	0	46	-2.0	-111.61	388.02	3.91	-107.70
CC1SC(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=NC1=O	REAL300030518142	0	45	-2.0	-95.22	385.69	0.41	-94.81
CC1=C([O-])N=C(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)S1	REAL300030518142	1	45	-2.0	-95.22	385.69	0.41	-94.81
O=C(C1=CC(=O)N([O-])C=C1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518160	0	46	-2.0	-108.23	379.46	3.63	-104.60
O=C(C1=CC=CC(=O)N1[O-])N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518185	0	46	-2.0	-126.44	376.61	4.62	-121.82
O=C(CC1=NC([O-])=CS1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518304	0	45	-2.0	-110.10	387.87	-0.09	-110.19
CC1=CC(=O)C(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=N[N-]1	REAL300030518474	0	47	-2.0	-95.06	387.82	3.86	-91.20
O=C(C1=NC(=O)N[N-]1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030518485	0	42	-2.0	-89.86	353.63	-0.95	-90.81
CN1[N-]C(C(=O)N2CC(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC1=O	REAL300030518686	0	46	-2.0	-93.25	381.80	1.72	-91.53
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C2)CC1	REAL300030518792	0	44	-2.0	-91.50	371.63	-2.71	-94.21
O=C(C1=CC(=O)[N-]O1)N1CCC(C2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C2)CC1	REAL300030518792	1	44	-2.0	-86.91	372.47	-1.95	-88.86
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=NC=CC=C3[O-])CC2)C1	REAL300030519147	1	45	-2.0	-103.93	374.26	3.49	-100.44
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=NNC(=O)[N-]C3=O)CC2)C1	REAL300030519250	0	44	-2.0	-95.96	372.26	-2.05	-98.01
O=C(CN1C(=O)[N-]NC1=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030519358	0	46	-2.0	-97.57	388.21	-0.36	-97.93
N#CC1=CC([O-])=CC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300030520294	1	47	-2.0	-86.86	399.36	3.70	-83.16
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=COC(=O)[N-]3)CC2)C1	REAL300030520364	1	42	-2.0	-89.92	354.38	0.49	-89.43
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=C([O-])C=C3F)CC2)C1	REAL300030520437	1	46	-2.0	-94.46	383.32	3.29	-91.17
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC([O-])=CC(=O)O3)CC2)C1	REAL300030520442	0	45	-2.0	-92.54	381.97	2.74	-89.80
N#CC1=CC=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C=C1[O-]	REAL300030520445	1	47	-2.0	-89.23	398.41	3.74	-85.49
CC1=CC=C([O-])C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=N1	REAL300030520504	1	48	-2.0	-103.86	393.24	4.55	-99.31
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)C1	REAL300030520516	0	44	-2.0	-85.11	367.21	1.77	-83.34
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=CC(F)=C3[O-])CC2)C1	REAL300030520523	0	46	-2.0	-109.62	385.27	4.18	-105.44
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=CC([O-])=C3F)CC2)C1	REAL300030520595	1	46	-2.0	-106.14	385.26	3.34	-102.80
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC(=O)N[N-]3)CC2)C1	REAL300030520670	0	43	-2.0	-90.18	359.54	0.46	-89.72
C[PH](C)([O-])C(=O)C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030520676	0	48	-2.0	-89.83	392.72	1.36	-88.47
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC(=O)N([O-])C=C3)CC2)C1	REAL300030520735	0	46	-2.0	-106.97	385.37	3.90	-103.07
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=NC(=O)N[N-]3)CC2)C1	REAL300030520752	0	42	-2.0	-88.08	354.09	-0.20	-88.28
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=CN([O-])C3=O)CC2)C1	REAL300030520757	0	46	-2.0	-106.39	385.39	3.87	-102.52
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC(F)=CC=C3[O-])CC2)C1	REAL300030520877	1	46	-2.0	-100.06	385.40	4.21	-95.85
CC1=CC=NC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1[O-]	REAL300030520924	1	48	-2.0	-103.02	392.01	4.74	-98.28
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CN=CC([O-])=C3)CC2)C1	REAL300030520992	1	45	-2.0	-96.12	374.79	1.49	-94.63
O=C(CC1=NC([O-])=CS1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521094	0	45	-2.0	-111.03	389.05	0.01	-111.02
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=C([O-])C=CC=C3F)CC2)C1	REAL300030521107	0	46	-2.0	-100.34	389.77	3.54	-96.80
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=C(F)C=C3[O-])CC2)C1	REAL300030521108	0	46	-2.0	-103.61	385.37	4.22	-99.39
CC1=CC(=O)C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=N[N-]1	REAL300030521217	0	47	-2.0	-93.53	388.39	4.01	-89.52
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=CC(=O)N3[O-])CC2)C1	REAL300030521235	0	46	-2.0	-123.38	384.47	4.41	-118.97
N#CC1=CC=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C(=O)[N-]1	REAL300030521255	0	46	-2.0	-85.45	391.10	1.52	-83.93
CN1N=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)[N-]C1=O	REAL300030521285	0	45	-2.0	-96.63	376.81	0.48	-96.15
N#CC1=CC=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C([O-])=C1	REAL300030521320	0	47	-2.0	-101.23	400.06	4.50	-96.73
N#CC1=CC=C([O-])C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=C1	REAL300030521326	0	47	-2.0	-97.16	399.70	4.60	-92.56
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=C(F)C([O-])=C3)CC2)C1	REAL300030521424	1	46	-2.0	-92.91	384.47	3.37	-89.54
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=NC(=O)[N-]C(=O)N3)CC2)C1	REAL300030521482	0	44	-2.0	-86.92	373.61	-1.40	-88.32
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=NC(=O)NC(=O)[N-]3)CC2)C1	REAL300030521482	1	44	-2.0	-86.92	373.61	-1.40	-88.32
NC1=NC=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C(=O)N1	REAL300030521522	0	46	-2.0	-92.93	383.40	0.37	-92.56
NC1=NC=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C(=O)[N-]1	REAL300030521522	1	46	-2.0	-92.93	383.40	0.37	-92.56
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030521619	0	42	-2.0	-94.22	354.15	0.38	-93.84
CC1SC(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=NC1=O	REAL300030521636	0	45	-2.0	-93.80	386.28	1.12	-92.68
CC1=C([O-])N=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)S1	REAL300030521636	1	45	-2.0	-93.80	386.28	1.12	-92.68
O=C(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC=C(O)C=C1	REAL300030521715	0	48	-2.0	-91.47	405.73	3.37	-88.10
O=C(C(=O)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1)C1=CC=C([O-])C=C1	REAL300030521715	1	48	-2.0	-91.47	405.73	3.37	-88.10
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC(=O)NC([O-])=C3)CC2)C1	REAL300030521753	0	46	-2.0	-90.26	390.51	-0.91	-91.17
CCN1[N-]C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC1=O	REAL300030521798	0	49	-2.0	-92.82	404.04	2.98	-89.84
CN1[N-]C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC1=O	REAL300030521814	0	46	-2.0	-92.68	382.35	2.16	-90.52
O=C(CC1=CC(=O)N[N-]1)N1CCC(C2CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030521904	1	46	-2.0	-98.68	383.24	0.73	-97.95
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC=C([O-])C(F)=C3)CC2)C1	REAL300030521908	1	46	-2.0	-93.61	384.43	3.41	-90.20
CC1=CN=C(C(=O)N2CCC(C3CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)C([O-])=C1	REAL300030521977	1	48	-2.0	-104.57	393.10	4.61	-99.96
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CC([O-])=CS3)CC2)C1	REAL300030521990	0	43	-2.0	-101.21	369.77	2.20	-99.01
O=C(C1=CC(=O)[N-]O1)N1CC(C2CCN(C(=O)C3=CN([O-])C(=O)C=C3)CC2)C1	REAL300030522003	0	46	-2.0	-107.11	384.54	3.89	-103.22
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]C1=O	REAL300030523273	0	41	-2.0	-101.55	349.13	-5.45	-107.00
O=C(CN1C(=O)[N-]NC1=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030523359	0	43	-2.0	-105.40	364.66	-3.74	-109.14
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)C=C1	REAL300030523973	0	43	-2.0	-110.99	360.30	0.69	-110.30
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)NC([O-])=C1	REAL300030524089	0	43	-2.0	-95.29	362.09	-4.17	-99.46
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300030524100	1	39	-2.0	-99.35	332.74	-4.38	-103.73
O=C([N-]CC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)(F)F	REAL300030524191	1	38	-2.0	-97.96	340.05	-0.91	-98.87
CCN1[N-]C(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030524272	0	46	-2.0	-101.98	382.11	-0.75	-102.73
O=C(CC1=CC(=O)N[N-]1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524280	1	43	-2.0	-106.40	358.33	-2.74	-109.14
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=S)N1[O-]	REAL300030524298	0	43	-2.0	-131.74	368.90	2.71	-129.03
O=C(CC1SC(=O)[N-]C1=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524307	0	43	-2.0	-93.26	372.77	-4.19	-97.45
CN1N=C(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030524323	0	42	-2.0	-103.54	356.31	-3.14	-106.68
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300030524413	0	41	-2.0	-94.26	341.79	-1.23	-95.49
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300030524519	0	40	-2.0	-97.28	338.98	-3.35	-100.63
C[PH](C)([O-])C(=O)C(=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524524	0	45	-2.0	-98.85	371.88	-2.02	-100.87
O=C(CCC1=NC(=O)NN1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524552	0	45	-2.0	-105.41	374.91	-3.66	-109.07
O=C(CCC1=NC(=O)[N-]N1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524552	1	45	-2.0	-105.41	374.91	-3.66	-109.07
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300030524556	0	43	-2.0	-112.42	359.21	0.89	-111.53
CC1SC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300030524584	0	42	-2.0	-105.71	364.11	-3.27	-108.98
CC1=C([O-])N=C(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030524584	1	42	-2.0	-105.71	364.11	-3.27	-108.98
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)N1	REAL300030524598	0	42	-2.0	-94.87	367.72	-0.10	-94.97
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300030524598	1	42	-2.0	-94.87	367.72	-0.10	-94.97
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300030524615	0	43	-2.0	-111.16	360.67	0.68	-110.48
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300030524650	0	43	-2.0	-129.50	357.78	1.69	-127.81
NC1=NC([O-])=C(CC(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030524777	0	44	-2.0	-124.76	378.99	-4.33	-129.09
O=C(CC1=NC([O-])=CS1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524825	0	42	-2.0	-111.06	365.50	-3.42	-114.48
CCC1=NC=C(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030524843	0	47	-2.0	-100.57	384.10	-0.82	-101.39
CCC1=NC=C(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030524843	1	47	-2.0	-100.57	384.10	-0.82	-101.39
O=C(CN1N=CC(=O)[N-]C1=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030524852	0	44	-2.0	-112.21	373.68	-4.90	-117.11
CC1=CC(=O)C(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030525063	0	44	-2.0	-103.34	367.70	0.46	-102.88
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]1	REAL300030525078	0	39	-2.0	-101.08	332.15	-4.84	-105.92
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C=N[O-])S1	REAL300030525193	0	42	-2.0	-105.40	374.36	-1.76	-107.16
COC1=NC(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030525207	0	45	-2.0	-100.43	379.70	-5.33	-105.76
CN1[N-]C(C(=O)NCC2COCCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030525363	0	43	-2.0	-101.02	360.38	-1.68	-102.70
O=C(CSC1=NNC(=O)[N-]1)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525370	0	43	-2.0	-99.02	375.97	-3.50	-102.52
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300030525530	0	41	-2.0	-98.55	352.11	-6.40	-104.95
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300030525530	1	41	-2.0	-94.14	352.75	-5.63	-99.77
O=C(CN1[N-]C(=O)C=CC1=O)NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030525675	0	45	-2.0	-104.42	379.45	-2.79	-107.21
O=C(NCC1COCCN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030525928	1	42	-2.0	-101.55	349.31	1.01	-100.54
O=C(NCC1COCCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300030526054	0	41	-2.0	-97.95	349.11	-5.00	-102.95
O=C(CN1C(=O)[N-]NC1=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030526219	0	43	-2.0	-100.42	368.02	-3.62	-104.04
O=C(NCC1COCCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030527613	1	43	-2.0	-97.28	371.43	0.45	-96.83
N#CC1=CC([O-])=CC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030527638	1	44	-2.0	-97.12	375.48	0.23	-96.89
CCC1=NC=C(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030527723	1	47	-2.0	-103.55	394.30	-1.11	-104.66
O=C(NCC1COCCN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030527742	1	39	-2.0	-95.42	331.70	-2.16	-97.58
O=C(C[N-]C(=O)C(F)(F)F)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527809	0	42	-2.0	-91.35	372.45	-3.36	-94.71
NC1=NC([O-])=C(CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030527810	0	44	-2.0	-115.02	383.63	-4.13	-119.15
O=C(NCC1COCCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300030527820	0	43	-2.0	-89.58	375.92	0.29	-89.29
O=C(NCC1COCCN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300030527835	1	43	-2.0	-96.29	361.38	-0.09	-96.38
O=C(NCC1COCCN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300030527841	0	42	-2.0	-97.21	354.99	-0.84	-98.05
N#CC1=CC=C(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300030527848	1	44	-2.0	-88.53	379.43	0.43	-88.10
O=C(NCC1COCCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030527851	0	42	-2.0	-94.40	366.57	-1.41	-95.81
O=C(CN1N=CC(=O)[N-]C1=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030527869	0	44	-2.0	-105.79	378.39	-4.76	-110.55
CC1=CC=C([O-])C(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030527931	1	45	-2.0	-102.13	363.82	1.26	-100.87
O=C(NCC1COCCN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300030527949	0	41	-2.0	-93.82	352.76	-1.44	-95.26
O=C(NCC1COCCN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030527958	0	43	-2.0	-102.38	360.45	0.00	-102.38
O=C(NCC1COCCN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300030528047	1	43	-2.0	-100.91	360.83	-0.10	-101.01
O=C(NCC1COCCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030528151	0	40	-2.0	-92.88	338.42	-2.88	-95.76
C[PH](C)([O-])C(=O)C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528157	0	45	-2.0	-91.37	377.34	-1.94	-93.31
O=C(NCC1COCCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300030528251	0	43	-2.0	-101.18	369.80	0.74	-100.44
O=C(NCC1COCCN(C(=O)C2=NC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030528276	0	39	-2.0	-95.51	331.98	-3.17	-98.68
O=C(NCC1COCCN(C(=O)C2=C(O)C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030528279	0	43	-2.0	-96.94	378.88	0.66	-96.28
O=C(NCC1COCCN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030528279	1	43	-2.0	-96.94	378.88	0.66	-96.28
O=C(NCC1COCCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300030528283	0	43	-2.0	-106.15	354.95	0.05	-106.10
O=C(NCC1COCCN(C(=O)C2=C(F)C=CC(O)=C2F)C1)C1=CC(=O)[N-]O1	REAL300030528312	0	43	-2.0	-94.39	375.80	0.26	-94.13
O=C(NCC1COCCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300030528312	1	43	-2.0	-94.39	375.80	0.26	-94.13
O=C(NCC1COCCN(C(=O)C2=CC(F)=CC=C2O)C1)C1=CC(=O)[N-]O1	REAL300030528453	0	43	-2.0	-97.51	361.04	0.00	-97.51
O=C(NCC1COCCN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030528453	1	43	-2.0	-97.51	361.04	0.00	-97.51
CC1=CC=NC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1O	REAL300030528517	0	45	-2.0	-100.92	367.40	1.80	-99.12
CC1=CC=NC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300030528517	1	45	-2.0	-100.92	367.40	1.80	-99.12
O=C(NCC1COCCN(C(=O)C2=CN=CC(O)=C2)C1)C1=CC(=O)[N-]O1	REAL300030528625	0	42	-2.0	-89.79	354.10	-1.79	-91.58
O=C(NCC1COCCN(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030528625	1	42	-2.0	-89.79	354.10	-1.79	-91.58
O=C(NCC1COCCN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300030528635	0	43	-2.0	-126.01	380.55	1.12	-124.89
O=C(NCC1COCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=CC(=O)[N-]O1	REAL300030528745	0	42	-2.0	-91.50	361.98	-0.36	-91.86
O=C(NCC1COCCN(C(=O)C2=CC=C(O)C=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030528785	0	43	-2.0	-95.81	370.36	0.35	-95.46
O=C(NCC1COCCN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030528785	1	43	-2.0	-95.81	370.36	0.35	-95.46
O=C(CC1=NC([O-])=CS1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528796	0	42	-2.0	-114.43	368.89	-3.26	-117.69
O=C(CN1[N-]C(=O)C=CC1=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528813	0	45	-2.0	-100.88	384.12	-2.66	-103.54
CC1=CC=C(F)C([O-])=C1C(=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528847	0	46	-2.0	-100.46	388.91	0.84	-99.62
O=C(CC1SC(=O)[N-]C1=O)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030528913	0	43	-2.0	-89.18	376.59	-4.01	-93.19
O=C(NCC1COCCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=CC(=O)[N-]O1	REAL300030528938	0	43	-2.0	-97.42	365.57	-0.09	-97.51
O=C(NCC1COCCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030528944	0	43	-2.0	-97.91	370.42	0.47	-97.44
CC1=CC(=O)C(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030528973	0	44	-2.0	-95.54	366.28	0.89	-94.65
O=C(NCC1COCCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300030528998	0	43	-2.0	-122.27	369.44	0.49	-121.78
N#CC1=CC=C(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030529027	0	43	-2.0	-99.45	378.76	-1.60	-101.05
CN1N=C(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030529075	0	42	-2.0	-99.02	354.82	-2.66	-101.68
O=C(NCC1COCCN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C1=CC(=O)[N-]O1	REAL300030529128	0	44	-2.0	-98.75	380.23	-1.63	-100.38
O=C(NCC1COCCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030529128	1	44	-2.0	-98.75	380.23	-1.63	-100.38
N#CC1=CC=C([O-])C(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030529137	0	44	-2.0	-96.62	375.08	0.35	-96.27
O=C(NCC1COCCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=CC(=O)[N-]O1	REAL300030529225	0	43	-2.0	-92.17	358.35	-2.24	-94.41
O=C(NCC1COCCN(C(=O)C2=CC=C(F)C(O)=C2)C1)C1=CC(=O)[N-]O1	REAL300030529277	0	43	-2.0	-92.30	365.45	0.04	-92.26
O=C(NCC1COCCN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030529277	1	43	-2.0	-92.30	365.45	0.04	-92.26
O=C(NCC1COCCN(C(=O)C2=CC=C(Cl)C=C2O)C1)C1=CC(=O)[N-]O1	REAL300030529295	0	43	-2.0	-97.57	371.37	0.45	-97.12
O=C(NCC1COCCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030529295	1	43	-2.0	-97.57	371.37	0.45	-97.12
O=C(NCC1COCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300030529364	0	41	-2.0	-99.69	346.49	-4.65	-104.34
O=C(NCC1COCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030529364	1	41	-2.0	-90.92	349.09	-4.11	-95.03
NC1=NC=C(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030529421	1	43	-2.0	-91.04	351.06	-3.05	-94.09
O=C(NCC1COCCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300030529455	0	43	-2.0	-101.37	365.66	-0.09	-101.46
COC1=NC(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030529498	0	45	-2.0	-95.73	378.51	-4.30	-100.03
O=C(NCC1COCCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030529508	0	42	-2.0	-97.48	363.20	1.60	-95.88
O=C(NCC1COCCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030529546	0	43	-2.0	-88.97	375.25	0.53	-88.44
O=C(NCC1COCCN(C(=O)C2=CC=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030529555	0	42	-2.0	-93.30	355.21	-1.59	-94.89
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300030529561	0	39	-2.0	-100.68	332.31	-2.91	-103.59
CC1=C([O-])N=C(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030529584	1	42	-2.0	-101.86	365.36	-1.91	-103.77
O=C(NCC1COCCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300030529677	1	45	-2.0	-95.73	385.95	0.07	-95.66
O=C(NCC1COCCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=CC(=O)[N-]O1	REAL300030529697	0	42	-2.0	-109.36	366.41	-2.30	-111.66
O=C(NCC1COCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030529719	1	42	-2.0	-88.49	361.74	0.68	-87.81
O=C(NCC1COCCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030529739	0	43	-2.0	-90.16	369.86	-4.18	-94.34
CCN1[N-]C(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030529800	0	46	-2.0	-94.60	381.18	-0.16	-94.76
CN1[N-]C(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030529819	0	43	-2.0	-94.71	359.41	-1.11	-95.82
O=C(CSC1=NNC(=O)[N-]1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529829	0	43	-2.0	-94.56	379.35	-3.29	-97.85
O=C(CC1=CC(=O)N[N-]1)N1CCOCC(CNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030529959	1	43	-2.0	-101.91	363.04	-2.53	-104.44
O=C(NCC1COCCN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300030529964	1	43	-2.0	-94.20	365.45	0.08	-94.12
O=C(NCC1COCCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300030530011	0	43	-2.0	-100.52	366.63	-0.04	-100.56
O=C(NCC1COCCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030530016	0	42	-2.0	-105.97	370.41	-1.04	-107.01
CC1=C(CC(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300030530031	0	49	-2.0	-100.71	405.93	-0.13	-100.84
CC1=CN=C(C(=O)N2CCOCC(CNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030530067	1	45	-2.0	-102.42	368.69	1.76	-100.66
O=C(NCC1COCCN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300030530089	0	40	-2.0	-104.11	340.30	-1.44	-105.55
O=C(NCC1COCCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300030530105	0	43	-2.0	-100.05	369.49	0.71	-99.34
O=C(NCC1COCCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)NC1=O	REAL300030530133	0	43	-2.0	-98.43	363.21	-1.69	-100.12
O=C(NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1=COC(=O)[N-]1	REAL300030530526	1	46	-2.0	-86.05	375.30	-2.62	-88.67
O=C(NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1=CC(=O)N[N-]1	REAL300030530610	0	47	-2.0	-85.47	380.12	-1.63	-87.10
O=C(NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1=NC(=O)N[N-]1	REAL300030530684	0	46	-2.0	-85.64	374.72	-2.93	-88.57
O=C(NC1CCC2(CC1)CN(C(=O)C1=COC(=O)[N-]1)CCO2)C1=CC(=O)[N-]O1	REAL300030531119	1	46	-2.0	-83.19	375.04	-1.03	-84.22
O=C(NC1CCC2(CC1)CN(C(=O)C1=CC(=O)N[N-]1)CCO2)C1=CC(=O)[N-]O1	REAL300030531176	0	47	-2.0	-88.42	380.23	-1.12	-89.54
O=C(NC1CCC2(CC1)CN(C(=O)C1=NC(=O)N[N-]1)CCO2)C1=CC(=O)[N-]O1	REAL300030531189	0	46	-2.0	-97.95	370.59	-1.32	-99.27
O=C(NC1CCC2(CC1)CN(C(=O)C1=CC(=O)[N-]O1)CCO2)C1=CC(=O)[N-]O1	REAL300030531342	0	46	-2.0	-95.80	370.70	-0.60	-96.40
O=C(NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F)C1=COC(=O)[N-]1	REAL300030531810	1	38	-2.0	-88.95	350.64	-2.73	-91.68
O=C(NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F)C1=CC(=O)N[N-]1	REAL300030531901	0	39	-2.0	-89.72	355.47	-1.74	-91.46
O=C(NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F)C1=NC(=O)N[N-]1	REAL300030531983	0	38	-2.0	-89.13	350.34	-3.04	-92.17
O=C(NC[C@@H]1CN(C(=O)C2=COC(=O)[N-]2)C[C@H]1C(F)(F)F)C1=CC(=O)[N-]O1	REAL300030532457	1	38	-2.0	-87.34	351.05	-1.53	-88.87
O=C(NC[C@@H]1CN(C(=O)C2=CC(=O)N[N-]2)C[C@H]1C(F)(F)F)C1=CC(=O)[N-]O1	REAL300030532521	0	39	-2.0	-89.81	355.87	-1.42	-91.23
O=C(NC[C@@H]1CN(C(=O)C2=NNC(=O)[N-]2)C[C@H]1C(F)(F)F)C1=CC(=O)[N-]O1	REAL300030532535	0	38	-2.0	-94.11	350.18	-2.88	-96.99
O=C(NC[C@@H]1CN(C(=O)C2=CC(=O)[N-]O2)C[C@H]1C(F)(F)F)C1=CC(=O)[N-]O1	REAL300030532710	0	38	-2.0	-93.35	350.21	-1.25	-94.60
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1CO	REAL300030534036	0	41	-2.0	-111.86	335.26	-4.40	-116.26
O=C(CN1C(=O)[N-]NC1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534122	0	43	-2.0	-110.87	352.78	-3.61	-114.48
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1CO	REAL300030534736	0	43	-2.0	-117.05	343.28	0.95	-116.10
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1CO	REAL300030534852	0	43	-2.0	-101.14	344.39	-4.02	-105.16
O=C(C1=COC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030534863	1	39	-2.0	-99.60	320.51	-2.46	-102.06
CCN1[N-]C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)=CC1=O	REAL300030535035	0	46	-2.0	-106.35	369.95	-0.16	-106.51
O=C(CC1=CC(=O)N[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535043	1	43	-2.0	-111.61	347.80	-2.51	-114.12
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CC(=S)N2[O-])CC1CO	REAL300030535061	0	43	-2.0	-116.11	358.37	1.63	-114.48
O=C(CC1SC(=O)[N-]C1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535070	0	43	-2.0	-107.54	360.81	-3.56	-111.10
CN1N=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)[N-]C1=O	REAL300030535086	0	42	-2.0	-110.27	342.93	-2.66	-112.93
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C[N-]N=CC2=O)CC1CO	REAL300030535176	0	41	-2.0	-95.23	327.76	-1.20	-96.43
O=C(C1=CC(=O)N[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535282	0	40	-2.0	-102.46	325.38	-2.77	-105.23
C[PH](C)([O-])C(=O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535287	0	45	-2.0	-84.47	364.60	-1.30	-85.77
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CN([O-])C2=O)CC1CO	REAL300030535319	0	43	-2.0	-106.32	355.93	0.97	-105.35
CC1SC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)=NC1=O	REAL300030535347	0	42	-2.0	-105.40	352.28	-1.80	-107.20
CC1=C([O-])N=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)S1	REAL300030535347	1	42	-2.0	-105.40	352.28	-1.80	-107.20
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(=O)C=C(Cl)N2)CC1CO	REAL300030535361	0	42	-2.0	-98.28	354.59	0.98	-97.30
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1CO	REAL300030535361	1	42	-2.0	-98.28	354.59	0.98	-97.30
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1CO	REAL300030535378	0	43	-2.0	-116.12	345.12	0.49	-115.63
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CC(=O)N2[O-])CC1CO	REAL300030535413	0	43	-2.0	-113.03	347.29	0.82	-112.21
NC1=NC([O-])=C(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)S1	REAL300030535540	0	44	-2.0	-114.63	368.45	-4.11	-118.74
O=C(CC1=NC([O-])=CS1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535588	0	42	-2.0	-116.26	353.10	-2.79	-119.05
CCC1=NC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C(=O)N1	REAL300030535606	0	47	-2.0	-86.29	368.77	-0.92	-87.21
CCC1=NC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)C(=O)[N-]1	REAL300030535606	1	47	-2.0	-86.29	368.77	-0.92	-87.21
CC1=CC(=O)C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)=N[N-]1	REAL300030535826	0	44	-2.0	-109.87	352.44	1.47	-108.40
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NNC(=O)[N-]2)CC1CO	REAL300030535841	0	39	-2.0	-106.84	320.09	-4.31	-111.15
O=C(C1=CN=C(C=N[O-])S1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030535956	0	42	-2.0	-115.19	355.75	-1.66	-116.85
COC1=NC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)=CC(=O)[N-]1	REAL300030535970	0	45	-2.0	-106.89	355.99	-4.14	-111.03
CN1[N-]C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)C(CO)C2)=CC1=O	REAL300030536126	0	43	-2.0	-105.21	348.14	-1.09	-106.30
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536133	0	43	-2.0	-104.81	364.12	-3.28	-108.09
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1CO	REAL300030536293	0	41	-2.0	-88.50	338.43	-4.49	-92.99
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1CO	REAL300030536293	1	41	-2.0	-97.97	338.41	-4.09	-102.06
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030536438	0	45	-2.0	-116.83	368.38	-2.19	-119.02
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NC=CC=C2[O-])C(CO)C1	REAL300030536691	1	42	-2.0	-97.37	337.78	0.96	-96.41
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NNC(=O)[N-]C2=O)C(CO)C1	REAL300030536806	0	41	-2.0	-88.35	338.18	-5.06	-93.41
O=C(CN1C(=O)[N-]NC1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030536949	0	43	-2.0	-113.93	350.67	-2.58	-116.51
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(Cl)=CC=C2[O-])C(CO)C1	REAL300030538111	1	43	-2.0	-107.73	350.70	2.20	-105.53
N#CC1=CC([O-])=CC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)=C1	REAL300030538134	1	44	-2.0	-83.73	366.03	1.40	-82.33
CCC1=NC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C(=O)[N-]1	REAL300030538203	1	47	-2.0	-100.80	369.34	-2.15	-102.95
O=C(C1=COC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538219	1	39	-2.0	-105.65	318.27	-2.13	-107.78
O=C(C[N-]C(=O)C(F)(F)F)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538285	0	42	-2.0	-83.56	359.06	-2.81	-86.37
NC1=NC([O-])=C(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)S1	REAL300030538286	0	44	-2.0	-113.09	366.35	-3.12	-116.21
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C([O-])C=C2F)C(CO)C1	REAL300030538306	1	43	-2.0	-105.09	340.60	0.92	-104.17
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC([O-])=CC(=O)O2)C(CO)C1	REAL300030538312	0	42	-2.0	-106.25	341.03	0.15	-106.10
N#CC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C=C1[O-]	REAL300030538318	1	44	-2.0	-94.03	361.71	1.38	-92.65
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(Cl)=NC=C2[O-])C(CO)C1	REAL300030538321	0	42	-2.0	-104.24	346.24	0.26	-103.98
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538335	0	44	-2.0	-92.88	362.23	-3.67	-96.55
CC1=CC=C([O-])C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)=N1	REAL300030538391	1	45	-2.0	-98.34	359.38	1.55	-96.79
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=C[N-]N=CC2=O)C(CO)C1	REAL300030538408	0	41	-2.0	-93.67	329.12	-0.42	-94.09
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CC(F)=C2[O-])C(CO)C1	REAL300030538415	0	43	-2.0	-103.42	350.31	1.52	-101.90
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CC([O-])=C2F)C(CO)C1	REAL300030538493	1	43	-2.0	-100.70	350.59	1.11	-99.59
O=C(C1=CC(=O)N[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538580	0	40	-2.0	-105.18	320.65	-1.93	-107.11
C[PH](C)([O-])C(=O)C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030538585	0	45	-2.0	-84.44	362.47	-0.82	-85.26
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(=O)N([O-])C=C2)C(CO)C1	REAL300030538665	0	43	-2.0	-102.77	347.47	1.50	-101.27
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NC(=O)N[N-]2)C(CO)C1	REAL300030538690	0	39	-2.0	-100.47	320.36	-3.38	-103.85
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CN([O-])C2=O)C(CO)C1	REAL300030538695	0	43	-2.0	-105.14	344.20	1.51	-103.63
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(F)=CC=C2O)C(CO)C1	REAL300030538835	0	43	-2.0	-108.01	340.38	1.74	-106.27
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(F)=CC=C2[O-])C(CO)C1	REAL300030538835	1	43	-2.0	-108.01	340.38	1.74	-106.27
CC1=CC=NC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)=C1[O-]	REAL300030538894	1	45	-2.0	-115.08	354.34	1.89	-113.19
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN=CC([O-])=C2)C(CO)C1	REAL300030538989	1	42	-2.0	-91.72	336.34	-0.91	-92.63
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CC(=S)N2[O-])C(CO)C1	REAL300030538999	0	43	-2.0	-120.72	360.29	2.59	-118.13
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C(CO)C1	REAL300030539099	0	42	-2.0	-82.89	353.86	0.78	-82.11
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C([O-])C=C2Cl)C(CO)C1	REAL300030539138	1	43	-2.0	-104.44	348.93	1.30	-103.14
O=C(CC1=NC([O-])=CS1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539145	0	42	-2.0	-102.18	355.12	-2.57	-104.75
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539159	0	45	-2.0	-114.03	367.44	-1.55	-115.58
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C(F)C=C2[O-])C(CO)C1	REAL300030539160	0	43	-2.0	-107.63	340.35	1.74	-105.89
O=C(CC1SC(=O)[N-]C1=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030539242	0	43	-2.0	-103.15	361.75	-3.96	-107.11
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C([O-])C(F)=C2F)C(CO)C1	REAL300030539262	0	43	-2.0	-105.30	346.69	0.99	-104.31
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CC(Cl)=C2[O-])C(CO)C1	REAL300030539268	0	43	-2.0	-98.07	360.12	2.01	-96.06
CC1=CC(=O)C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)=N[N-]1	REAL300030539292	0	44	-2.0	-87.82	355.36	0.80	-87.02
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=CC(=O)N2[O-])C(CO)C1	REAL300030539311	0	43	-2.0	-116.83	349.15	1.81	-115.02
N#CC1=CC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C(=O)[N-]1	REAL300030539332	0	43	-2.0	-90.61	354.83	-0.67	-91.28
CN1N=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)[N-]C1=O	REAL300030539375	0	42	-2.0	-108.59	343.04	-2.61	-111.20
N#CC1=CC=C([O-])C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)=C1	REAL300030539425	0	44	-2.0	-105.47	354.86	2.10	-103.37
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN([O-])C(=O)NC2=O)C(CO)C1	REAL300030539503	0	43	-2.0	-106.00	349.16	-1.04	-107.04
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C(F)C(O)=C2)C(CO)C1	REAL300030539547	0	43	-2.0	-98.15	347.80	0.99	-97.16
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C(F)C([O-])=C2)C(CO)C1	REAL300030539547	1	43	-2.0	-98.15	347.80	0.99	-97.16
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C(Cl)C=C2O)C(CO)C1	REAL300030539562	0	43	-2.0	-107.74	350.67	2.20	-105.54
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C(Cl)C=C2[O-])C(CO)C1	REAL300030539562	1	43	-2.0	-107.74	350.67	2.20	-105.54
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C(CO)C1	REAL300030539620	0	41	-2.0	-101.14	338.71	-5.14	-106.28
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C(CO)C1	REAL300030539620	1	41	-2.0	-96.46	339.46	-4.38	-100.84
NC1=NC=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C(=O)[N-]1	REAL300030539666	1	43	-2.0	-101.23	342.82	-3.80	-105.03
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C(F)C([O-])=C2F)C(CO)C1	REAL300030539697	0	43	-2.0	-109.68	346.66	0.95	-108.73
COC1=NC(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)=CC(=O)[N-]1	REAL300030539738	0	45	-2.0	-88.57	362.32	-3.13	-91.70
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=NC=CC(Cl)=C2[O-])C(CO)C1	REAL300030539744	0	42	-2.0	-111.34	350.20	1.73	-109.61
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C(CO)C1	REAL300030539775	0	43	-2.0	-93.96	357.51	1.50	-92.46
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=NC=C2[O-])C(CO)C1	REAL300030539783	0	42	-2.0	-126.87	334.55	-0.15	-127.02
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)C(CO)C1	REAL300030539788	0	39	-2.0	-106.32	320.64	-2.81	-109.13
CC1=C([O-])N=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)S1	REAL300030539807	1	42	-2.0	-92.63	352.96	-1.60	-94.23
O=C(C(=O)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO)C1=CC=C([O-])C=C1	REAL300030539891	1	45	-2.0	-100.89	361.76	0.18	-100.71
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN=C(C=N[O-])S2)C(CO)C1	REAL300030539908	0	42	-2.0	-96.68	361.61	-1.34	-98.02
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C(CO)C1	REAL300030539926	1	42	-2.0	-99.37	351.81	1.65	-97.72
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(=O)NC([O-])=C2)C(CO)C1	REAL300030539944	0	43	-2.0	-104.59	341.57	-3.47	-108.06
CCN1[N-]C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)=CC1=O	REAL300030540001	0	46	-2.0	-107.72	366.44	0.77	-106.95
CN1[N-]C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)=CC1=O	REAL300030540015	0	43	-2.0	-108.07	343.38	-0.21	-108.28
O=C(CSC1=NNC(=O)[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030540024	0	43	-2.0	-102.90	364.75	-3.03	-105.93
O=C(CC1=CC(=O)N[N-]1)N1CCCN(C(=O)C2=CC(=O)[N-]O2)CC1CO	REAL300030540128	1	43	-2.0	-91.07	349.77	-2.09	-93.16
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=C([O-])C(F)=C2)C(CO)C1	REAL300030540133	1	43	-2.0	-91.88	347.78	1.04	-90.84
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C(CO)C1	REAL300030540170	0	43	-2.0	-108.61	347.83	1.06	-107.55
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC=NC(Cl)=C2[O-])C(CO)C1	REAL300030540174	0	42	-2.0	-105.26	345.55	0.30	-104.96
CC1=C(CC(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C(=O)N(C)[N-]1	REAL300030540188	0	49	-2.0	-121.85	388.48	0.90	-120.95
CC1=CN=C(C(=O)N2CCCN(C(=O)C3=CC(=O)[N-]O3)CC2CO)C([O-])=C1	REAL300030540223	1	45	-2.0	-117.68	354.20	1.80	-115.88
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CC([O-])=CS2)C(CO)C1	REAL300030540243	0	40	-2.0	-110.52	327.90	-0.11	-110.63
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN([O-])C(=O)C=C2)C(CO)C1	REAL300030540256	0	43	-2.0	-102.43	350.94	1.62	-100.81
O=C(C1=CC(=O)[N-]O1)N1CCCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1CO	REAL300030540281	0	43	-2.0	-101.17	349.68	-1.73	-102.90
CC1(CNC(=O)C2=CN([O-])C(=O)C=C2)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541279	0	42	-2.0	-105.70	365.01	2.74	-102.96
CC1(CNC(=O)C2=CC(=O)NC([O-])=C2)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541342	0	42	-2.0	-93.42	365.90	-2.25	-95.67
CC1(CNC(=O)C2=COC(=O)[N-]2)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541350	1	38	-2.0	-96.55	337.97	-2.41	-98.96
CCN1[N-]C(C(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030541441	0	45	-2.0	-97.82	387.40	1.23	-96.59
CC1(CNC(=O)CC2=CC(=O)N[N-]2)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541447	1	42	-2.0	-102.08	363.47	-0.79	-102.87
CN1N=C(C(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030541460	0	41	-2.0	-96.15	359.60	-1.42	-97.57
CC1(CNC(=O)C2=C[N-]N=CC2=O)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541501	0	40	-2.0	-93.19	335.92	1.83	-91.36
CC1(CNC(=O)C2=CC(=O)N[N-]2)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541548	0	39	-2.0	-89.29	342.35	-1.63	-90.92
CC1(CNC(=O)C(=O)[PH](C)(C)[O-])CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541552	0	44	-2.0	-88.64	376.17	0.08	-88.56
CC1(CNC(=O)C2=CC=CN([O-])C2=O)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541569	0	42	-2.0	-110.35	362.70	2.82	-107.53
CC1(CNC(=O)C2=CC(=O)N([O-])C=C2)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541594	0	42	-2.0	-106.54	365.36	2.73	-103.81
CC1(CNC(=O)C2=CC=CC(=O)N2[O-])CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541614	0	42	-2.0	-121.83	362.94	3.67	-118.16
CC1=CC(=O)C(C(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030541813	0	43	-2.0	-95.74	371.07	2.18	-93.56
CC1(CNC(=O)C2=NC(=O)N[N-]2)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030541820	0	38	-2.0	-87.23	336.94	-2.92	-90.15
CN1[N-]C(C(=O)NCC2(C)CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030541961	0	42	-2.0	-97.06	365.68	0.30	-96.76
CC1(CNC(=O)C(F)(F)C(F)F)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030542001	0	37	-2.0	-93.99	336.33	2.22	-91.77
CC1(C[N-]C(=O)C(F)(F)C(F)F)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030542001	1	37	-2.0	-93.99	336.33	2.22	-91.77
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=NC=CC=C1O	REAL300030542356	0	41	-2.0	-103.51	353.76	2.57	-100.94
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=NC=CC=C1[O-]	REAL300030542356	1	41	-2.0	-103.51	353.76	2.57	-100.94
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=COC(=O)[N-]1	REAL300030543014	1	38	-2.0	-94.78	337.76	-1.29	-96.07
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=CC=C([O-])C=C1F	REAL300030543063	1	42	-2.0	-105.76	359.24	2.43	-103.33
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300030543066	0	41	-2.0	-88.29	362.40	1.16	-87.13
CC1=CC=C([O-])C(C(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030543102	1	44	-2.0	-106.27	376.16	3.09	-103.18
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=C[N-]N=CC1=O	REAL300030543110	0	40	-2.0	-91.67	346.45	0.85	-90.82
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300030543115	0	42	-2.0	-121.33	358.61	3.69	-117.64
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=CC=CC([O-])=C1F	REAL300030543156	1	42	-2.0	-117.95	358.91	2.40	-115.55
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=CC(=O)N[N-]1	REAL300030543204	0	39	-2.0	-93.87	342.16	-1.04	-94.91
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300030543207	0	44	-2.0	-92.95	376.28	0.20	-92.75
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300030543238	0	42	-2.0	-115.42	360.23	2.90	-112.52
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=NC(=O)N[N-]1	REAL300030543251	0	38	-2.0	-94.08	336.93	-1.78	-95.86
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=CC=CN([O-])C1=O	REAL300030543253	0	42	-2.0	-97.73	367.57	2.35	-95.38
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=CC(F)=CC=C1O	REAL300030543324	0	42	-2.0	-110.69	358.80	3.69	-107.00
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300030543324	1	42	-2.0	-110.69	358.80	3.69	-107.00
CC1=CC=NC(C(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)=C1O	REAL300030543360	0	44	-2.0	-105.32	374.88	3.21	-102.11
CC1=CC=NC(C(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300030543360	1	44	-2.0	-105.32	374.88	3.21	-102.11
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=CN=CC(O)=C1	REAL300030543405	0	41	-2.0	-106.52	348.85	0.25	-106.27
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=CN=CC([O-])=C1	REAL300030543405	1	41	-2.0	-106.52	348.85	0.25	-106.27
CC1=CC(=O)C(C(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030543529	0	43	-2.0	-93.01	370.69	2.44	-90.57
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300030543536	0	42	-2.0	-137.19	357.68	3.62	-133.57
CN1N=C(C(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030543564	0	41	-2.0	-99.13	359.60	-0.80	-99.93
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=CC=C(F)C(O)=C1	REAL300030543642	0	42	-2.0	-96.64	360.12	2.16	-94.48
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300030543642	1	42	-2.0	-96.64	360.12	2.16	-94.48
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=CC=NC=C1[O-]	REAL300030543747	0	41	-2.0	-114.55	347.43	1.81	-112.74
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030543752	0	38	-2.0	-98.49	337.54	-0.93	-99.42
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300030543830	0	42	-2.0	-99.10	360.11	-1.93	-101.03
CCN1[N-]C(C(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030543860	0	45	-2.0	-97.43	386.69	1.60	-95.83
CN1[N-]C(C(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030543871	0	42	-2.0	-96.63	364.97	0.67	-95.96
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)CC1=CC(=O)N[N-]1	REAL300030543925	1	42	-2.0	-99.23	365.93	-0.80	-100.03
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300030543927	1	42	-2.0	-98.96	360.11	2.19	-96.77
CC1=CN=C(C(=O)N2CC(F)(F)CC2(C)CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030543965	1	44	-2.0	-104.10	375.39	3.01	-101.09
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=CC([O-])=CS1	REAL300030543975	0	39	-2.0	-111.19	345.51	1.22	-109.97
CC1(CNC(=O)C2=CC(=O)[N-]O2)CC(F)(F)CN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300030543983	0	42	-2.0	-116.28	359.35	2.64	-113.64
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300030544522	1	42	-2.0	-86.67	360.81	0.34	-86.33
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030544829	0	42	-2.0	-78.84	366.82	-1.32	-80.16
O=C(CCCN1C(=O)[N-]NC1=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545379	0	43	-2.0	-89.51	373.21	-1.92	-91.43
CC(C)CN1[N-]C(CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030545577	0	49	-2.0	-95.98	407.72	1.84	-94.14
O=C(CCC1=NNC(=O)[N-]C1=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545671	0	41	-2.0	-89.00	360.95	-4.64	-93.64
CC(=O)[N-]C1=NC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030545672	1	39	-2.0	-82.70	355.07	-1.12	-83.82
O=C(CCN1C=C[N-]C(=O)C1=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030545886	1	42	-2.0	-98.32	366.70	-0.52	-98.84
COC1=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030546031	1	40	-2.0	-95.07	350.26	-3.47	-98.54
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]C1=O	REAL300030546182	0	35	-2.0	-91.71	316.51	-4.78	-96.49
O=C(CN1C(=O)[N-]NC1=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030546324	0	37	-2.0	-92.29	330.37	-3.14	-95.43
CC1=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C(C)C)=N1	REAL300030546367	1	47	-2.0	-101.47	387.76	0.86	-100.61
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030546505	0	41	-2.0	-97.05	364.18	-0.22	-97.27
O=C([N-]C1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)(F)C(F)F	REAL300030547403	0	35	-2.0	-90.19	328.21	0.27	-89.92
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)C=C1	REAL300030547420	0	37	-2.0	-103.97	327.20	1.35	-102.62
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)NC([O-])=C1	REAL300030547627	0	37	-2.0	-90.70	328.16	-3.55	-94.25
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300030547643	1	33	-2.0	-85.44	300.12	-3.69	-89.13
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C2CCC2)[N-]C1=O	REAL300030547706	1	45	-2.0	-86.60	376.56	0.88	-85.72
O=C([N-]C1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)(F)F	REAL300030547794	0	32	-2.0	-86.85	304.09	-0.44	-87.29
CCN1[N-]C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030547927	0	40	-2.0	-89.89	349.49	-0.06	-89.95
O=C(CC1=CC(=O)N[N-]1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547938	1	37	-2.0	-92.35	325.73	-2.08	-94.43
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=S)N1[O-]	REAL300030547965	0	37	-2.0	-124.35	336.14	3.40	-120.95
O=C(CC1SC(=O)[N-]C1=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030547984	0	37	-2.0	-86.69	338.73	-3.54	-90.23
CN1N=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030548004	0	36	-2.0	-95.64	322.40	-2.50	-98.14
CC1=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)NC(C2CC2)=N1	REAL300030548136	0	45	-2.0	-102.04	377.94	1.06	-100.98
CC1=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300030548136	1	45	-2.0	-102.04	377.94	1.06	-100.98
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300030548152	0	35	-2.0	-79.36	309.17	-0.55	-79.91
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C2N=NN([O-])C2=C1	REAL300030548196	0	39	-2.0	-101.63	344.09	-0.12	-101.75
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300030548323	0	34	-2.0	-86.17	304.95	-2.70	-88.87
C[PH](C)([O-])C(=O)C(=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548328	0	39	-2.0	-88.84	343.59	-1.39	-90.23
O=C(CCC1=NC(=O)NN1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548372	0	39	-2.0	-101.07	340.98	-3.04	-104.11
O=C(CCC1=NC(=O)[N-]N1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548372	1	39	-2.0	-101.07	340.98	-3.04	-104.11
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300030548382	0	37	-2.0	-96.51	325.29	1.53	-94.98
CSC1=NC=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030548408	0	39	-2.0	-85.99	350.96	-0.73	-86.72
CSC1=NC=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030548408	1	39	-2.0	-85.99	350.96	-0.73	-86.72
CC1SC(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300030548436	0	36	-2.0	-105.49	331.85	-2.59	-108.08
CC1=C([O-])N=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030548436	1	36	-2.0	-105.49	331.85	-2.59	-108.08
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)N1	REAL300030548460	0	36	-2.0	-83.17	335.10	0.59	-82.58
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300030548460	1	36	-2.0	-83.17	335.10	0.59	-82.58
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300030548488	0	37	-2.0	-103.80	327.96	1.36	-102.44
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300030548563	0	37	-2.0	-120.99	325.03	2.37	-118.62
NC1=NC([O-])=C(CC(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030548782	0	38	-2.0	-104.83	346.34	-3.67	-108.50
O=C(CC1=NC([O-])=CS1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548861	0	36	-2.0	-101.05	331.57	-2.79	-103.84
CCC1=NC=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030548893	1	41	-2.0	-85.34	349.72	-0.26	-85.60
O=C(CN1N=CC(=O)[N-]C1=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030548907	0	38	-2.0	-93.68	341.03	-4.23	-97.91
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C(Cl)C(=O)[N-]S1	REAL300030549006	0	33	-2.0	-86.88	322.51	-1.40	-88.28
COCC1=NC=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030549146	0	42	-2.0	-86.37	362.64	-2.01	-88.38
COCC1=NC=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030549146	1	42	-2.0	-86.37	362.64	-2.01	-88.38
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(CC2CC2)NC1=O	REAL300030549161	0	45	-2.0	-85.49	380.69	1.39	-84.10
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(CC2CC2)[N-]C1=O	REAL300030549161	1	45	-2.0	-85.49	380.69	1.39	-84.10
CC1=CC(=O)C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030549269	0	38	-2.0	-91.66	333.70	1.09	-90.57
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)N[N-]1	REAL300030549292	0	33	-2.0	-85.48	299.54	-4.00	-89.48
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300030549322	0	38	-2.0	-91.31	342.23	0.32	-90.99
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030549322	1	38	-2.0	-91.31	342.23	0.32	-90.99
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C=N[O-])S1	REAL300030549485	0	36	-2.0	-97.75	340.33	-1.13	-98.88
CN1[N-]C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030549771	0	37	-2.0	-88.88	327.69	-1.00	-89.88
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC2=C1C(=O)NC2=O	REAL300030549781	0	40	-2.0	-108.12	350.48	-0.59	-108.71
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300030549781	1	40	-2.0	-108.12	350.48	-0.59	-108.71
O=C(CSC1=NNC(=O)[N-]1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030549785	0	37	-2.0	-90.74	342.04	-2.90	-93.64
CC1=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)NC(=O)N1	REAL300030549786	0	39	-2.0	-104.60	355.02	-1.64	-106.24
CC1=C(C(=O)NC2C=CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300030549786	1	39	-2.0	-104.60	355.02	-1.64	-106.24
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)F	REAL300030549952	0	32	-2.0	-89.50	299.09	-0.57	-90.07
O=C([N-]C1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)F	REAL300030549952	1	32	-2.0	-89.50	299.09	-0.57	-90.07
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300030550051	0	35	-2.0	-82.61	318.72	-4.99	-87.60
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300030550051	1	35	-2.0	-82.61	318.72	-4.99	-87.60
O=C(COC1=NC(=O)[N-]C(=O)N1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030550151	0	39	-2.0	-87.35	351.52	-6.55	-93.90
O=C(COC1=NC(=O)NC(=O)[N-]1)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030550151	1	39	-2.0	-87.35	351.52	-6.55	-93.90
O=C(CN1[N-]C(=O)C=CC1=O)NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030550329	0	39	-2.0	-95.98	346.74	-2.12	-98.10
O=C(NC1C=CCN(C(=O)C2=NC=CC=C2O)C1)C1=CC(=O)[N-]O1	REAL300030550574	0	36	-2.0	-102.08	316.55	1.35	-100.73
O=C(NC1C=CCN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030550574	1	36	-2.0	-102.08	316.55	1.35	-100.73
O=C(CCN1C=CNC(=O)C1=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030550704	0	42	-2.0	-98.89	369.34	-0.36	-99.25
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030550704	1	42	-2.0	-98.89	369.34	-0.36	-99.25
CC(=O)NC1=NC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030550722	0	39	-2.0	-81.19	354.60	-0.48	-81.67
CC(=O)[N-]C1=NC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030550722	1	39	-2.0	-81.19	354.60	-0.48	-81.67
O=C(NC1C=CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300030550763	0	35	-2.0	-92.80	316.42	-4.44	-97.24
COC1=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)NC1=O	REAL300030550833	0	40	-2.0	-88.41	359.12	-4.82	-93.23
COC1=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030550833	1	40	-2.0	-88.41	359.12	-4.82	-93.23
O=C(CN1C(=O)[N-]NC1=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030551046	0	37	-2.0	-101.02	333.53	-3.02	-104.04
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CC(C)CN1[N-]C(CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030552525	0	49	-2.0	-101.78	412.77	2.33	-99.45
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CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030552839	0	42	-2.0	-77.62	364.64	-0.41	-78.03
CC1=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C(C)C)=N1	REAL300030553394	1	47	-2.0	-108.64	400.51	0.43	-108.21
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NC1=CC=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1Cl	REAL300030553848	0	39	-2.0	-114.19	351.73	0.15	-114.04
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CCC1=NC=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030553959	1	41	-2.0	-97.62	359.30	-0.49	-98.11
O=C(NC1C=CCN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030553989	1	33	-2.0	-83.72	299.51	-2.20	-85.92
O=C(NC1C=CCN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300030554086	0	39	-2.0	-118.34	353.13	1.66	-116.68
O=C(C[N-]C(=O)C(F)(F)F)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554106	0	36	-2.0	-86.90	337.83	-2.73	-89.63
NC1=NC([O-])=C(CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030554107	0	38	-2.0	-105.10	349.07	-3.51	-108.61
O=C(NC1C=CCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300030554120	0	37	-2.0	-84.83	341.20	0.88	-83.95
O=C(NC1C=CCN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300030554153	1	37	-2.0	-91.13	329.85	0.67	-90.46
O=C(NC1C=CCN(C(=O)C2=CC([O-])=C3SC=CC3=C2)C1)C1=CC(=O)[N-]O1	REAL300030554164	1	40	-2.0	-90.84	361.09	1.92	-88.92
O=C(NC1C=CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300030554167	0	36	-2.0	-85.88	324.90	-0.15	-86.03
N#CC1=CC=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300030554182	1	38	-2.0	-85.33	344.29	1.04	-84.29
O=C(NC1C=CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030554188	0	36	-2.0	-103.13	334.96	0.21	-102.92
N#CC1=CC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=C(N)[N-]C1=O	REAL300030554197	0	39	-2.0	-85.36	355.64	-2.41	-87.77
O=C(CN1N=CC(=O)[N-]C1=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554218	0	38	-2.0	-98.46	343.75	-4.13	-102.59
CC1=CC=C([O-])C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030554331	1	39	-2.0	-102.70	338.14	1.93	-100.77
O=C(CCC1=NNC(=O)[N-]1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554335	0	39	-2.0	-91.66	343.75	-2.35	-94.01
O=C(NC1C=CCN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300030554364	0	35	-2.0	-88.48	318.22	-0.83	-89.31
O=C(NC1C=CCN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030554379	0	37	-2.0	-109.35	330.23	1.32	-108.03
O=C(NC1C=CCN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300030554537	1	37	-2.0	-104.60	330.49	0.68	-103.92
O=C(NC1C=CCN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030554635	0	39	-2.0	-97.74	348.65	2.35	-95.39
O=C(NC1C=CCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030554714	0	34	-2.0	-85.90	304.74	-2.30	-88.20
C[PH](C)([O-])C(=O)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554722	0	39	-2.0	-87.15	343.42	-1.38	-88.53
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030554757	0	42	-2.0	-98.05	372.57	2.12	-95.93
O=C(NC1C=CCN(C(=O)C2=CN=C(CC3CC3)NC2=O)C1)C1=CC(=O)[N-]O1	REAL300030554781	0	45	-2.0	-85.56	383.20	1.04	-84.52
O=C(NC1C=CCN(C(=O)C2=CN=C(CC3CC3)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300030554781	1	45	-2.0	-85.56	383.20	1.04	-84.52
COCC1=NC=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030554807	0	42	-2.0	-86.30	364.40	-2.36	-88.66
COCC1=NC=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030554807	1	42	-2.0	-86.30	364.40	-2.36	-88.66
CC1=CC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300030554817	0	42	-2.0	-100.31	368.80	3.05	-97.26
O=C(NC1C=CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300030554883	0	37	-2.0	-104.35	330.82	1.17	-103.18
O=C(NC1C=CCN(C(=O)C2=CC(F)=C(F)C([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300030554924	0	37	-2.0	-96.29	343.11	0.81	-95.48
O=C(NC1C=CCN(C(=O)C2=NC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030554926	0	33	-2.0	-84.24	299.51	-2.96	-87.20
O=C(NC1C=CCN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030554931	1	37	-2.0	-93.48	344.20	1.25	-92.23
O=C(NC1C=CCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300030554941	0	37	-2.0	-115.53	334.68	1.31	-114.22
O=C(NC1C=CCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300030554990	1	37	-2.0	-90.33	341.14	0.84	-89.49
CC1=NC2=NC=C(C(=O)N3CC=CC(NC(=O)C4=CC(=O)[N-]O4)C3)C(=O)N2[N-]1	REAL300030555085	0	41	-2.0	-84.93	360.21	2.17	-82.76
NC1=CC(=O)[N-]C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030555135	0	37	-2.0	-96.06	329.00	-2.65	-98.71
N#CC1=CN(CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C1=O	REAL300030555151	0	40	-2.0	-102.59	368.15	-1.83	-104.42
O=C(NC1C=CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1)C1=CC(=O)[N-]O1	REAL300030555228	0	37	-2.0	-88.81	340.09	1.15	-87.66
O=C(NC1C=CCN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030555237	1	37	-2.0	-106.41	329.32	1.76	-104.65
CC1=CC=NC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300030555353	1	39	-2.0	-101.94	337.22	2.08	-99.86
O=C(NC1C=CCN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030555422	0	37	-2.0	-113.54	345.58	2.23	-111.31
O=C(NC1C=CCN(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030555563	1	36	-2.0	-88.98	317.60	-1.26	-90.24
O=C(NC1C=CCN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300030555579	0	37	-2.0	-120.17	345.83	1.73	-118.44
O=C(NC1C=CCN(C(=O)C2=CN=C(C3CCC3)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300030555754	1	45	-2.0	-98.84	385.99	0.72	-98.12
NC1=CC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=CC([O-])=C1Cl	REAL300030555773	1	39	-2.0	-106.85	351.49	-0.98	-107.83
O=C(NC1C=CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=CC(=O)[N-]O1	REAL300030555778	0	36	-2.0	-81.54	334.90	0.18	-81.36
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555856	0	41	-2.0	-89.35	362.50	0.50	-88.85
O=C(NC1C=CCN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030555863	1	37	-2.0	-89.59	338.04	1.09	-88.50
N#CC1=CC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=C([O-])C=C1N	REAL300030555866	0	40	-2.0	-105.70	358.02	-0.49	-106.19
O=C(CC1=NC([O-])=CS1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555881	0	36	-2.0	-107.95	334.23	-2.63	-110.58
O=C(NC1C=CCN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=CC(=O)[N-]O1	REAL300030555909	0	37	-2.0	-98.69	334.70	0.86	-97.83
O=C(CN1[N-]C(=O)C=CC1=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555913	0	39	-2.0	-97.23	349.52	-2.03	-99.26
O=C(NC1C=CCN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030555918	0	37	-2.0	-102.76	329.56	1.72	-101.04
CC1=CC=C(F)C([O-])=C1C(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030555978	0	40	-2.0	-104.55	354.22	1.42	-103.13
O=C(CC1SC(=O)[N-]C1=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556091	0	37	-2.0	-88.37	342.02	-3.39	-91.76
O=C(NC1C=CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=CC(=O)[N-]O1	REAL300030556125	0	37	-2.0	-100.30	335.86	0.72	-99.58
O=C(NC1C=CCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300030556129	1	38	-2.0	-87.08	350.81	-0.72	-87.80
O=C(NC1C=CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030556136	0	37	-2.0	-111.72	339.19	2.19	-109.53
CC1=CC(=O)C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030556180	0	38	-2.0	-91.15	333.62	1.44	-89.71
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556185	0	42	-2.0	-106.26	365.05	1.04	-105.22
O=C(NC1C=CCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300030556224	0	37	-2.0	-116.18	334.72	1.10	-115.08
N#CC1=CC=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030556274	0	37	-2.0	-94.48	344.23	-0.99	-95.47
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556275	0	39	-2.0	-92.57	354.62	-6.39	-98.96
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030556275	1	39	-2.0	-87.60	354.53	-6.34	-93.94
O=C(NC1C=CCN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300030556307	0	39	-2.0	-85.52	350.38	2.15	-83.37
CN1N=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030556357	0	36	-2.0	-92.94	321.83	-2.12	-95.06
[N-]=[N+]=NC1=CC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=CC=C1[O-]	REAL300030556404	0	39	-2.0	-88.55	351.98	-1.56	-90.11
O=C(NC1C=CCN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C1=CC(=O)[N-]O1	REAL300030556451	0	38	-2.0	-99.30	345.52	-1.07	-100.37
O=C(NC1C=CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030556451	1	38	-2.0	-99.30	345.52	-1.07	-100.37
N#CC1=CC=C([O-])C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030556465	0	38	-2.0	-103.16	343.81	2.12	-101.04
O=C(NC1C=CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=CC(=O)[N-]O1	REAL300030556628	0	37	-2.0	-95.90	339.90	-1.31	-97.21
O=C(NC1C=CCN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030556672	0	37	-2.0	-103.82	345.77	2.23	-101.59
O=C(NC1C=CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030556712	1	37	-2.0	-100.98	330.32	0.66	-100.32
O=C(NC1C=CCN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030556722	1	42	-2.0	-123.71	364.08	2.16	-121.55
O=C(NC1C=CCN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030556726	0	39	-2.0	-99.71	351.30	2.33	-97.38
O=C(NC1C=CCN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030556730	0	39	-2.0	-97.87	351.09	2.36	-95.51
O=C(NC1C=CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030556744	1	37	-2.0	-102.59	339.37	2.24	-100.35
O=C(NC1C=CCN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030556776	0	39	-2.0	-86.75	350.97	1.20	-85.55
O=C(NC1C=CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300030556885	0	35	-2.0	-85.82	317.97	-4.68	-90.50
O=C(NC1C=CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030556885	1	35	-2.0	-81.73	318.55	-3.92	-85.65
O=C(NC1C=CCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1)C1=CC(=O)[N-]O1	REAL300030556935	0	39	-2.0	-89.42	346.39	-0.36	-89.78
O=C(NC1C=CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1)C1=CC(=O)[N-]O1	REAL300030556984	1	42	-2.0	-107.41	361.80	3.65	-103.76
O=C(NC1C=CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=CC(=O)[N-]O1	REAL300030556985	0	33	-2.0	-94.45	320.85	-1.70	-96.15
NC1=NC=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030557014	1	37	-2.0	-86.04	325.60	-2.19	-88.23
CC1=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300030557057	0	40	-2.0	-91.96	363.58	-0.52	-92.48
O=C(NC1C=CCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300030557086	0	37	-2.0	-113.19	335.81	0.71	-112.48
O=C(NC1C=CCN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1)C1=CC(=O)[N-]O1	REAL300030557158	0	37	-2.0	-88.19	344.95	1.18	-87.01
O=C(NC1C=CCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030557167	1	38	-2.0	-87.74	349.51	0.27	-87.47
COC1=NC(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030557174	0	39	-2.0	-90.64	343.38	-3.73	-94.37
O=C(NC1C=CCN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1)C1=CC(=O)[N-]O1	REAL300030557177	0	39	-2.0	-97.13	349.13	-0.73	-97.86
O=C(NC1C=CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030557190	0	36	-2.0	-98.32	332.73	1.86	-96.46
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557197	1	40	-2.0	-101.52	365.36	2.18	-99.34
O=C(NC1C=CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030557249	0	37	-2.0	-96.81	340.11	1.14	-95.67
O=C(NC1C=CCN(C(=O)C2=CC=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030557261	0	36	-2.0	-102.29	319.10	-0.72	-103.01
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300030557271	0	33	-2.0	-89.63	299.33	-2.26	-91.89
CC1=C([O-])N=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030557322	1	36	-2.0	-89.37	331.36	-1.49	-90.86
O=C(NC1C=CCN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300030557384	1	43	-2.0	-100.07	373.79	3.03	-97.04
O=C(NC1C=CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030557403	1	43	-2.0	-108.34	368.24	4.02	-104.32
O=C(NC1C=CCN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030557412	1	43	-2.0	-111.63	370.14	3.57	-108.06
O=C(NC1C=CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300030557471	1	39	-2.0	-90.09	351.05	0.63	-89.46
O=C(NC1C=CCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=CC(=O)[N-]O1	REAL300030557511	0	36	-2.0	-99.88	338.59	-1.44	-101.32
O=C(NC1C=CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030557549	1	36	-2.0	-82.53	334.57	1.19	-81.34
CSC1=NC=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030557580	1	39	-2.0	-86.06	353.56	-1.04	-87.10
O=C(NC1C=CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030557590	0	37	-2.0	-85.41	335.30	-3.59	-89.00
CCN1[N-]C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030557688	0	40	-2.0	-89.55	349.31	0.33	-89.22
O=C(CNC(=O)C1=NC=CC=C1[O-])N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557700	1	43	-2.0	-100.22	378.72	-0.69	-100.91
CN1[N-]C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030557714	0	37	-2.0	-88.67	327.50	-0.60	-89.27
O=C(NC1C=CCN(C(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)C1)C1=CC(=O)[N-]O1	REAL300030557728	1	40	-2.0	-111.67	356.37	-1.57	-113.24
O=C(CSC1=NNC(=O)[N-]1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557733	0	37	-2.0	-91.66	344.71	-2.69	-94.35
CC1=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300030557735	1	39	-2.0	-107.92	358.31	-1.51	-109.43
CC1=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]C(C2CC2)=N1	REAL300030557746	1	45	-2.0	-101.44	389.75	0.57	-100.87
O=C(NC1C=CCN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300030557813	1	42	-2.0	-99.44	368.36	1.11	-98.33
O=C(CC1=CC(=O)N[N-]1)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030557941	1	37	-2.0	-98.51	328.39	-1.92	-100.43
O=C(NC1C=CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300030557948	1	37	-2.0	-92.88	330.30	0.67	-92.21
O=C(NC1C=CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300030558022	0	37	-2.0	-91.03	336.51	0.74	-90.29
O=C(NC1C=CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030558028	0	36	-2.0	-108.90	334.27	0.25	-108.65
CC1=C(CC(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300030558053	0	43	-2.0	-101.74	371.99	0.51	-101.23
O=C(CCC(=O)N1CC=CC(NC(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C([O-])C=C1	REAL300030558065	1	45	-2.0	-93.22	390.80	2.30	-90.92
CC1=CN=C(C(=O)N2CC=CC(NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030558109	1	39	-2.0	-103.56	338.39	2.03	-101.53
O=C(NC1C=CCN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030558128	0	38	-2.0	-96.82	355.24	-1.43	-98.25
O=C(NC1C=CCN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300030558154	0	34	-2.0	-98.22	312.48	-0.60	-98.82
O=C(NC1C=CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300030558182	0	37	-2.0	-96.84	334.96	1.32	-95.52
O=C(NC1C=CCN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030558190	0	37	-2.0	-95.56	345.65	2.25	-93.31
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)NC1=O	REAL300030558248	0	37	-2.0	-86.55	330.06	-1.05	-87.60
O=C(NC1C=CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030558288	1	38	-2.0	-77.97	341.02	-0.45	-78.42
O=C(NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=COC(=O)[N-]1	REAL300030559136	1	45	-2.0	-94.72	355.66	-0.84	-95.56
O=C(CC1=CC(=O)N[N-]1)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559218	1	49	-2.0	-114.52	381.24	0.82	-113.70
CN1N=C(C(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)[N-]C1=O	REAL300030559228	0	48	-2.0	-106.58	377.74	0.36	-106.22
O=C(NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=C[N-]N=CC1=O	REAL300030559261	0	47	-2.0	-91.44	364.71	2.31	-89.13
O=C(NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC(=O)N[N-]1	REAL300030559297	0	46	-2.0	-99.14	360.49	0.15	-98.99
C[PH](C)([O-])C(=O)C(=O)NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2	REAL300030559301	0	51	-2.0	-101.53	393.75	1.48	-100.05
O=C(NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=NC(=O)N[N-]1	REAL300030559491	0	45	-2.0	-96.11	355.08	-1.15	-97.26
CN1[N-]C(C(=O)NCC23CCCC2N(C(=O)C2=CC(=O)[N-]O2)CCC3)=CC1=O	REAL300030559590	0	49	-2.0	-102.53	383.30	1.86	-100.67
O=C(NCC12CCCC1N(C(=O)C1=NC=CC=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300030559957	1	48	-2.0	-110.49	372.79	4.14	-106.35
O=C(NCC12CCCC1N(C(=O)C1=COC(=O)[N-]1)CCC2)C1=CC(=O)[N-]O1	REAL300030560420	1	45	-2.0	-93.16	355.75	0.68	-92.48
O=C(NCC12CCCC1N(C(=O)C1=C[N-]N=CC1=O)CCC2)C1=CC(=O)[N-]O1	REAL300030560496	0	47	-2.0	-102.75	374.22	2.07	-100.68
O=C(NCC12CCCC1N(C(=O)C1=CC(=O)N[N-]1)CCC2)C1=CC(=O)[N-]O1	REAL300030560557	0	46	-2.0	-96.77	360.61	0.61	-96.16
C[PH](C)([O-])C(=O)C(=O)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030560560	0	51	-2.0	-98.91	394.13	1.49	-97.42
O=C(NCC12CCCC1N(C(=O)C1=NC(=O)N[N-]1)CCC2)C1=CC(=O)[N-]O1	REAL300030560588	0	45	-2.0	-95.78	355.40	0.00	-95.78
O=C(NCC12CCCC1N(C(=O)C1=CN=CC([O-])=C1)CCC2)C1=CC(=O)[N-]O1	REAL300030560705	1	48	-2.0	-107.05	375.83	1.67	-105.38
CN1N=C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)[N-]C1=O	REAL300030560808	0	48	-2.0	-104.67	378.16	0.80	-103.87
O=C(NCC12CCCC1N(C(=O)C1=CC=NC=C1[O-])CCC2)C1=CC(=O)[N-]O1	REAL300030560941	0	48	-2.0	-114.93	371.50	2.97	-111.96
O=C(NCC12CCCC1N(C(=O)C1=CC(=O)[N-]O1)CCC2)C1=CC(=O)[N-]O1	REAL300030560944	0	45	-2.0	-101.84	355.56	0.65	-101.19
CN1[N-]C(C(=O)N2CCCC3(CNC(=O)C4=CC(=O)[N-]O4)CCCC23)=CC1=O	REAL300030561029	0	49	-2.0	-99.70	383.35	2.32	-97.38
O=C(CC1=CC(=O)N[N-]1)N1CCCC2(CNC(=O)C3=CC(=O)[N-]O3)CCCC12	REAL300030561072	1	49	-2.0	-105.63	384.60	1.00	-104.63
O=C(NCC12CCCC1N(C(=O)C1=CC([O-])=CS1)CCC2)C1=CC(=O)[N-]O1	REAL300030561111	0	46	-2.0	-109.10	369.54	2.42	-106.68
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NNC(=O)[N-]C1=O	REAL300030562007	0	44	-2.0	-98.85	364.12	-2.97	-101.82
O=C(CN1C(=O)[N-]NC1=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562068	0	46	-2.0	-98.92	378.28	-1.32	-100.24
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)C=C1	REAL300030562496	0	46	-2.0	-108.67	375.24	3.17	-105.50
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)NC([O-])=C1	REAL300030562584	0	46	-2.0	-96.86	375.72	-1.74	-98.60
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=COC(=O)[N-]1	REAL300030562595	1	42	-2.0	-101.83	347.78	-1.89	-103.72
O=C([N-]CC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C(F)(F)C(F)(F)F	REAL300030562661	1	41	-2.0	-92.44	356.57	1.70	-90.74
CCN1[N-]C(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030562719	0	49	-2.0	-100.69	397.17	1.74	-98.95
O=C(CC1=CC(=O)N[N-]1)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562726	1	46	-2.0	-101.46	373.27	-0.28	-101.74
CN1N=C(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300030562753	0	45	-2.0	-102.70	369.81	-0.70	-103.40
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]N=CC1=O	REAL300030562816	0	44	-2.0	-94.33	356.84	1.25	-93.08
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N[N-]1	REAL300030562887	0	43	-2.0	-97.61	352.62	-0.91	-98.52
C[PH](C)([O-])C(=O)C(=O)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562892	0	48	-2.0	-98.93	385.41	0.43	-98.50
CN1[N-]C(CC(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030562894	0	49	-2.0	-104.32	396.11	1.44	-102.88
O=C(CCC1=NC(=O)[N-]N1)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030562914	1	48	-2.0	-107.07	388.53	-1.24	-108.31
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CN([O-])C1=O	REAL300030562917	0	46	-2.0	-118.66	372.83	3.33	-115.33
CC1=C([O-])N=C(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030562938	1	45	-2.0	-109.80	379.10	-0.78	-110.58
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N([O-])C=C1	REAL300030562956	0	46	-2.0	-109.92	375.63	3.16	-106.76
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=O)N1[O-]	REAL300030562981	0	46	-2.0	-120.43	372.74	4.17	-116.26
O=C(CC1=NC([O-])=CS1)NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030563100	0	45	-2.0	-106.23	379.06	-0.99	-107.22
CC1=CC(=O)C(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300030563270	0	47	-2.0	-101.54	381.28	2.90	-98.64
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)N[N-]1	REAL300030563281	0	42	-2.0	-100.83	347.20	-2.20	-103.03
CN1[N-]C(C(=O)NCC23CCC(CC2)N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030563482	0	46	-2.0	-99.92	375.44	0.80	-99.12
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)[N-]C(=O)N1	REAL300030563588	0	44	-2.0	-96.16	366.31	-3.21	-99.37
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)NC(=O)[N-]1	REAL300030563588	1	44	-2.0	-96.16	366.31	-3.21	-99.37
O=C(NCC12CCC(CC1)N(C(=O)C1=NC=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030563943	1	45	-2.0	-103.90	363.99	3.19	-100.71
O=C(NCC12CCC(CC1)N(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030564046	0	44	-2.0	-98.17	363.61	-2.63	-100.80
O=C(CN1C(=O)[N-]NC1=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030564154	0	46	-2.0	-98.78	381.76	-1.12	-99.90
N#CC1=CC([O-])=CC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=C1	REAL300030565090	1	47	-2.0	-98.98	387.42	2.53	-96.45
O=C(NCC12CCC(CC1)N(C(=O)C1=COC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030565160	1	42	-2.0	-100.87	347.41	-0.61	-101.48
O=C(NCC12CCC(CC1)N(C(=O)C1=CC=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300030565233	1	46	-2.0	-100.41	377.38	2.51	-97.90
O=C(NCC12CCC(CC1)N(C(=O)C1=CC([O-])=CC(=O)O1)C2)C1=CC(=O)[N-]O1	REAL300030565238	0	45	-2.0	-99.45	372.32	1.83	-97.62
N#CC1=CC=C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C=C1[O-]	REAL300030565241	1	47	-2.0	-103.53	386.71	2.59	-100.94
CC1=CC=C([O-])C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=N1	REAL300030565300	1	48	-2.0	-104.35	385.60	3.75	-100.60
O=C(NCC12CCC(CC1)N(C(=O)C1=C[N-]N=CC1=O)C2)C1=CC(=O)[N-]O1	REAL300030565312	0	44	-2.0	-94.04	365.77	1.00	-93.04
O=C(NCC12CCC(CC1)N(C(=O)C1=CC=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030565319	0	46	-2.0	-104.35	377.08	3.21	-101.14
O=C(NCC12CCC(CC1)N(C(=O)C1=CC=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030565391	1	46	-2.0	-109.83	377.24	2.49	-107.34
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030565466	0	43	-2.0	-95.94	352.22	-0.55	-96.49
C[PH](C)([O-])C(=O)C(=O)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030565472	0	48	-2.0	-93.75	391.02	0.56	-93.19
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300030565531	0	46	-2.0	-110.47	382.74	3.16	-107.31
O=C(NCC12CCC(CC1)N(C(=O)C1=NC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030565548	0	42	-2.0	-100.05	347.06	-1.29	-101.34
O=C(NCC12CCC(CC1)N(C(=O)C1=CC=CN([O-])C1=O)C2)C1=CC(=O)[N-]O1	REAL300030565553	0	46	-2.0	-111.12	382.00	3.12	-108.00
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(F)=CC=C1O)C2)C1=CC(=O)[N-]O1	REAL300030565673	0	46	-2.0	-100.33	377.26	3.21	-97.12
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(F)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030565673	1	46	-2.0	-100.33	377.26	3.21	-97.12
CC1=CC=NC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=C1O	REAL300030565720	0	48	-2.0	-103.89	384.31	3.88	-100.01
CC1=CC=NC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=C1[O-]	REAL300030565720	1	48	-2.0	-103.89	384.31	3.88	-100.01
O=C(NCC12CCC(CC1)N(C(=O)C1=CN=CC(O)=C1)C2)C1=CC(=O)[N-]O1	REAL300030565788	0	45	-2.0	-103.18	361.51	0.39	-102.79
O=C(NCC12CCC(CC1)N(C(=O)C1=CN=CC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030565788	1	45	-2.0	-103.18	361.51	0.39	-102.79
O=C(CC1=NC([O-])=CS1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030565890	0	45	-2.0	-109.84	382.55	-0.82	-110.66
O=C(NCC12CCC(CC1)N(C(=O)C1=C([O-])C=CC=C1F)C2)C1=CC(=O)[N-]O1	REAL300030565903	0	46	-2.0	-106.87	382.85	2.73	-104.14
O=C(NCC12CCC(CC1)N(C(=O)C1=CC=C(F)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030565904	0	46	-2.0	-99.58	377.14	3.00	-96.58
CC1=CC(=O)C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=N[N-]1	REAL300030566013	0	47	-2.0	-99.38	380.76	3.23	-96.15
O=C(NCC12CCC(CC1)N(C(=O)C1=CC=CC(=O)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300030566031	0	46	-2.0	-112.33	382.51	2.97	-109.36
N#CC1=CC=C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C(=O)[N-]1	REAL300030566051	0	46	-2.0	-95.25	391.46	0.82	-94.43
CN1N=C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)[N-]C1=O	REAL300030566081	0	45	-2.0	-100.97	369.72	-0.38	-101.35
N#CC1=CC=C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C([O-])=C1	REAL300030566116	0	47	-2.0	-96.94	391.55	3.34	-93.60
N#CC1=CC=C([O-])C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=C1	REAL300030566122	0	47	-2.0	-99.56	391.57	3.41	-96.15
O=C(NCC12CCC(CC1)N(C(=O)C1=CC=C(F)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030566220	1	46	-2.0	-105.04	372.78	2.21	-102.83
O=C(NCC12CCC(CC1)N(C(=O)C1=NC(=O)[N-]C(=O)N1)C2)C1=CC(=O)[N-]O1	REAL300030566278	0	44	-2.0	-95.20	365.71	-2.11	-97.31
O=C(NCC12CCC(CC1)N(C(=O)C1=NC(=O)NC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030566278	1	44	-2.0	-95.20	365.71	-2.11	-97.31
NC1=NC=C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C(=O)N1	REAL300030566318	0	46	-2.0	-101.60	379.91	-0.33	-101.93
NC1=NC=C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C(=O)[N-]1	REAL300030566318	1	46	-2.0	-101.60	379.91	-0.33	-101.93
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)[N-]O1	REAL300030566415	0	42	-2.0	-101.83	347.36	-0.42	-102.25
CC1SC(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=NC1=O	REAL300030566432	0	45	-2.0	-109.57	378.98	0.16	-109.41
CC1=C([O-])N=C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)S1	REAL300030566432	1	45	-2.0	-109.57	378.98	0.16	-109.41
O=C(NCC12CCC(CC1)N(C(=O)C(=O)C1=CC=C(O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300030566511	0	48	-2.0	-94.65	389.89	2.63	-92.02
O=C(NCC12CCC(CC1)N(C(=O)C(=O)C1=CC=C([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300030566511	1	48	-2.0	-94.65	389.89	2.63	-92.02
O=C(NCC12CCC(CC1)N(C(=O)C1=CC(=O)NC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030566549	0	46	-2.0	-96.47	382.85	-1.76	-98.23
CCN1[N-]C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=CC1=O	REAL300030566594	0	49	-2.0	-98.21	396.80	2.09	-96.12
CN1[N-]C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)=CC1=O	REAL300030566610	0	46	-2.0	-97.63	375.04	1.15	-96.48
O=C(CC1=CC(=O)NN1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030566700	0	46	-2.0	-98.36	376.75	-0.08	-98.44
O=C(CC1=CC(=O)N[N-]1)N1CC2(CNC(=O)C3=CC(=O)[N-]O3)CCC1CC2	REAL300030566700	1	46	-2.0	-98.36	376.75	-0.08	-98.44
O=C(NCC12CCC(CC1)N(C(=O)C1=CC=C(O)C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300030566704	0	46	-2.0	-104.23	372.73	2.25	-101.98
O=C(NCC12CCC(CC1)N(C(=O)C1=CC=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300030566704	1	46	-2.0	-104.23	372.73	2.25	-101.98
CC1=CN=C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C(O)=C1	REAL300030566773	0	48	-2.0	-105.25	385.40	3.82	-101.43
CC1=CN=C(C(=O)N2CC3(CNC(=O)C4=CC(=O)[N-]O4)CCC2CC3)C([O-])=C1	REAL300030566773	1	48	-2.0	-105.25	385.40	3.82	-101.43
O=C(NCC12CCC(CC1)N(C(=O)C1=CC([O-])=CS1)C2)C1=CC(=O)[N-]O1	REAL300030566786	0	43	-2.0	-105.27	358.81	1.32	-103.95
O=C(NCC12CCC(CC1)N(C(=O)C1=CN([O-])C(=O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300030566799	0	46	-2.0	-108.94	382.47	3.14	-105.80
COC1(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030567760	1	45	-2.0	-89.16	389.91	-1.57	-90.73
COC1(CNC(=O)CCCN2C(=O)[N-]NC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568426	0	46	-2.0	-100.04	403.23	-3.76	-103.80
COC1(CNC(=O)CCC2=NNC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568652	0	44	-2.0	-95.05	390.65	-6.59	-101.64
COC1(CNC(=O)C2=CSC([N-]C(C)=O)=N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568653	1	42	-2.0	-91.15	384.87	-3.07	-94.22
COC1(CNC(=O)CCN2C=C[N-]C(=O)C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030568820	1	45	-2.0	-97.80	395.09	-2.56	-100.36
COC1=C(C(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030568934	1	43	-2.0	-92.53	379.61	-5.49	-98.02
COC1(CNC(=O)C2=NNC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569055	0	38	-2.0	-96.88	346.51	-6.68	-103.56
COC1(CNC(=O)CN2C(=O)[N-]NC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030569176	0	40	-2.0	-102.46	360.70	-4.96	-107.42
COC1(CNC(=O)C2=CN([O-])C(=O)C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570065	0	40	-2.0	-103.11	356.43	-0.69	-103.80
COC1(CNC(=O)C2=CC(=O)NC([O-])=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570234	0	40	-2.0	-87.04	356.89	-5.60	-92.64
COC1(CNC(=O)C2=COC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570247	1	36	-2.0	-94.10	330.12	-5.62	-99.72
COC1(C[N-]C(=O)C(F)(F)C(F)(F)F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570371	0	35	-2.0	-90.23	336.03	-2.29	-92.52
CCN1[N-]C(C(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030570481	0	43	-2.0	-96.79	379.49	-2.00	-98.79
COC1(CNC(=O)CC2=CC(=O)N[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570489	1	40	-2.0	-101.45	355.42	-4.03	-105.48
COC1(CNC(=O)C2=CC=CC(=S)N2[O-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570513	0	40	-2.0	-117.17	364.88	1.36	-115.81
COC1(CNC(=O)CC2SC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570528	0	40	-2.0	-93.84	368.73	-5.49	-99.33
COC1(CNC(=O)C2=NN(C)C(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570547	0	39	-2.0	-99.33	352.20	-4.42	-103.75
COC1(CNC(=O)C2=C[N-]N=CC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570669	0	38	-2.0	-81.03	338.01	-2.60	-83.63
COC1(CNC(=O)C2=CC=C3N=NN([O-])C3=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570709	0	42	-2.0	-104.33	374.14	-2.04	-106.37
COC1(CNC(=O)C2=CC(=O)N[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570810	0	37	-2.0	-93.26	334.75	-4.64	-97.90
COC1(CNC(=O)C(=O)[PH](C)(C)[O-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570815	0	42	-2.0	-85.48	367.57	-3.25	-88.73
COC1(CNC(=O)CCC2=NC(=O)[N-]N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570856	1	42	-2.0	-101.91	370.95	-4.88	-106.79
COC1(CNC(=O)C2=CC=CN([O-])C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570864	0	40	-2.0	-105.33	355.16	-0.37	-105.70
COC1(CNC(=O)C2=CN=C(SC)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570885	1	42	-2.0	-88.41	380.32	-2.71	-91.12
COC1(CNC(=O)C2=NC([O-])=C(C)S2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570910	1	39	-2.0	-95.75	360.33	-4.65	-100.40
COC1(CNC(=O)C2=CC(=O)C=C(Cl)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570931	1	39	-2.0	-89.89	365.10	-1.34	-91.23
COC1(CNC(=O)C2=CC(=O)N([O-])C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030570953	0	40	-2.0	-105.55	356.73	-0.71	-106.26
COC1(CNC(=O)C2=CC=CC(=O)N2[O-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571013	0	40	-2.0	-114.68	353.77	0.32	-114.36
COC1(CNC(=O)C[N-]C(=O)C(F)(F)F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571185	0	39	-2.0	-93.45	365.15	-4.67	-98.12
COC1(CNC(=O)CC2=C([O-])N=C(N)S2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571186	0	41	-2.0	-104.27	374.78	-5.72	-109.99
COC1(CNC(=O)CC2=NC([O-])=CS2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571249	0	39	-2.0	-114.03	361.27	-4.72	-118.75
CCC1=NC=C(C(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030571275	1	44	-2.0	-87.53	379.07	-2.22	-89.75
COC1(CNC(=O)CN2N=CC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571287	0	41	-2.0	-106.13	370.76	-6.16	-112.29
COC1(CNC(=O)C2=C(Cl)C(=O)[N-]S2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571369	0	36	-2.0	-93.05	352.51	-3.33	-96.38
COCC1=NC=C(C(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030571480	0	45	-2.0	-88.27	392.00	-3.97	-92.24
COCC1=NC=C(C(=O)NCC2(OC)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030571480	1	45	-2.0	-88.27	392.00	-3.97	-92.24
COC1(CNC(=O)C2=N[N-]C(C)=CC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571585	0	41	-2.0	-90.27	362.51	-0.96	-91.23
COC1(CNC(=O)C2=NC(=O)N[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571604	0	36	-2.0	-93.76	329.54	-5.91	-99.67
COC1(CNC(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571629	0	41	-2.0	-91.62	372.08	-1.62	-93.24
COC1(CNC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571629	1	41	-2.0	-91.62	372.08	-1.62	-93.24
COC1(CNC(=O)C2=CN=C(C=N[O-])S2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030571770	0	39	-2.0	-102.44	370.32	-3.04	-105.48
COC1(CNC(=O)C2=CC(=O)N(C)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572014	0	40	-2.0	-95.88	357.76	-2.93	-98.81
COC1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572026	0	40	-2.0	-92.07	370.43	-4.95	-97.02
COC1(CNC(=O)C2=C(C)NC(=O)[N-]C2=S)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572027	1	42	-2.0	-101.95	383.82	-3.63	-105.58
COC1(C[N-]C(=O)C(F)(F)C(F)F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572164	1	35	-2.0	-91.69	331.02	-2.44	-94.13
COC1(CNC(=O)C2=NC(=O)[N-]C(=O)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572246	0	38	-2.0	-95.33	348.07	-7.68	-103.01
COC1(CNC(=O)C2=NC(=O)NC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572246	1	38	-2.0	-90.37	348.80	-6.85	-97.22
COC1(CNC(=O)COC2=NC(=O)[N-]C(=O)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572319	0	42	-2.0	-97.12	381.81	-8.49	-105.61
COC1(CNC(=O)COC2=NC(=O)NC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572319	1	42	-2.0	-91.98	381.76	-8.43	-100.41
COC1(CNC(=O)CN2[N-]C(=O)C=CC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030572462	0	42	-2.0	-99.30	376.53	-4.05	-103.35
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300030572719	1	39	-2.0	-101.37	346.15	-0.89	-102.26
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCN2C=C[N-]C(=O)C2=O)C1	REAL300030572842	1	45	-2.0	-104.00	398.61	-2.31	-106.31
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CSC([N-]C(C)=O)=N2)C1	REAL300030572854	1	42	-2.0	-89.96	384.42	-2.80	-92.76
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300030572888	0	38	-2.0	-94.86	345.75	-6.54	-101.40
COC1=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)NC(=O)[N-]C1=O	REAL300030572943	1	43	-2.0	-92.14	377.39	-5.44	-97.58
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300030573120	0	40	-2.0	-95.03	362.64	-4.92	-99.95
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCCN2C(=O)[N-]NC2=O)C1	REAL300030574147	0	46	-2.0	-97.95	403.75	-3.58	-101.53
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1	REAL300030574365	1	45	-2.0	-102.01	397.78	-1.82	-103.83
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2=NNC(=O)[N-]C2=O)C1	REAL300030575255	0	44	-2.0	-92.81	392.86	-6.46	-99.27
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1	REAL300030575265	0	42	-2.0	-95.13	375.67	0.40	-94.73
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300030575279	1	40	-2.0	-100.41	367.02	0.61	-99.80
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300030575311	1	41	-2.0	-90.37	369.26	-1.17	-91.54
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(N)C(Cl)=C2[O-])C1	REAL300030575338	0	42	-2.0	-103.26	376.28	-1.41	-104.67
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1	REAL300030575402	0	42	-2.0	-109.13	375.38	1.46	-107.67
CCC1=NC=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)C(=O)[N-]1	REAL300030575435	1	44	-2.0	-102.48	376.58	-1.45	-103.93
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300030575460	1	36	-2.0	-94.06	329.84	-5.02	-99.08
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1	REAL300030575542	0	42	-2.0	-107.76	379.12	0.29	-107.47
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300030575560	0	39	-2.0	-91.09	365.69	-4.49	-95.58
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300030575561	0	41	-2.0	-115.82	376.90	-5.32	-121.14
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300030575572	0	40	-2.0	-90.74	370.21	-1.04	-91.78
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300030575595	1	40	-2.0	-92.80	354.87	-1.48	-94.28
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300030575604	0	39	-2.0	-87.78	353.54	-2.04	-89.82
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300030575615	1	41	-2.0	-93.72	369.88	-0.99	-94.71
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300030575619	0	39	-2.0	-95.48	358.83	-1.06	-96.54
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(N)[N-]C(=O)C(C#N)=C2)C1	REAL300030575626	0	42	-2.0	-95.46	384.86	-3.88	-99.34
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300030575643	0	41	-2.0	-99.70	371.49	-6.19	-105.89
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(C)=CC=C2[O-])C1	REAL300030575733	1	42	-2.0	-102.10	367.95	-0.28	-102.38
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300030575736	1	42	-2.0	-98.78	371.46	-4.70	-103.48
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300030575759	0	38	-2.0	-92.56	337.71	-1.73	-94.29
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300030575773	0	40	-2.0	-108.62	355.62	0.26	-108.36
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300030575900	1	40	-2.0	-106.53	355.91	-1.27	-107.80
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1	REAL300030575981	0	42	-2.0	-98.31	375.72	0.38	-97.93
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300030576047	0	37	-2.0	-91.43	334.48	-4.48	-95.91
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300030576055	0	42	-2.0	-88.06	367.39	-3.22	-91.28
COCC1=NC=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)C(=O)N1	REAL300030576123	0	45	-2.0	-102.18	389.50	-3.22	-105.40
COCC1=NC=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)C(=O)[N-]1	REAL300030576123	1	45	-2.0	-102.18	389.50	-3.22	-105.40
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300030576184	0	40	-2.0	-106.70	355.73	-0.85	-107.55
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300030576219	0	36	-2.0	-93.67	329.22	-5.49	-99.16
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(O)C=CC=C2Cl)C1	REAL300030576224	0	40	-2.0	-98.80	372.02	-0.79	-99.59
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300030576224	1	40	-2.0	-98.80	372.02	-0.79	-99.59
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300030576232	0	40	-2.0	-110.32	362.27	-0.74	-111.06
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300030576270	0	40	-2.0	-93.45	369.86	-1.08	-94.53
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300030576270	1	40	-2.0	-93.45	369.86	-1.08	-94.53
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300030576470	0	40	-2.0	-99.84	356.70	0.16	-99.68
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300030576470	1	40	-2.0	-99.84	356.70	0.16	-99.68
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=CC(C)=C2O)C1	REAL300030576564	0	42	-2.0	-101.29	365.39	-0.33	-101.62
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=CC(C)=C2[O-])C1	REAL300030576564	1	42	-2.0	-101.29	365.39	-0.33	-101.62
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1	REAL300030576623	0	40	-2.0	-101.81	370.10	0.65	-101.16
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=CC(O)=C2)C1	REAL300030576744	0	39	-2.0	-93.39	342.50	-3.28	-96.67
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300030576744	1	39	-2.0	-93.39	342.50	-3.28	-96.67
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300030576757	0	40	-2.0	-122.02	363.70	1.20	-120.82
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(N)=C(Cl)C([O-])=C2)C1	REAL300030576918	1	42	-2.0	-99.51	378.21	-2.95	-102.46
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300030576923	0	39	-2.0	-90.18	364.46	-2.09	-92.27
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300030576988	1	40	-2.0	-91.01	363.14	-1.02	-92.03
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(C#N)=C(N)C=C2[O-])C1	REAL300030576991	0	43	-2.0	-99.02	384.05	-1.62	-100.64
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300030577003	0	39	-2.0	-114.99	362.08	-4.44	-119.43
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300030577025	0	40	-2.0	-97.85	362.53	-1.17	-99.02
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300030577028	0	42	-2.0	-99.98	377.35	-3.79	-103.77
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300030577030	0	40	-2.0	-103.91	354.62	0.05	-103.86
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(C)C=CC(F)=C2[O-])C1	REAL300030577078	0	43	-2.0	-111.27	382.93	-0.49	-111.76
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300030577168	0	40	-2.0	-87.87	371.01	-5.30	-93.17
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300030577201	0	40	-2.0	-95.12	360.46	-1.28	-96.40
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1	REAL300030577204	1	41	-2.0	-88.68	379.63	-2.59	-91.27
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300030577210	0	40	-2.0	-103.42	365.42	0.73	-102.69
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=N[N-]C(C)=CC2=O)C1	REAL300030577246	0	41	-2.0	-94.75	362.92	-0.68	-95.43
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C=C([O-])C2=CC=C(O)C=C2)C1	REAL300030577252	0	45	-2.0	-110.52	393.77	-0.70	-111.22
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300030577284	0	40	-2.0	-119.82	352.59	0.17	-119.65
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300030577330	0	40	-2.0	-96.13	371.87	-3.00	-99.13
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)COC2=NC(=O)[N-]C(=O)N2)C1	REAL300030577331	0	42	-2.0	-95.03	382.44	-8.18	-103.21
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)COC2=NC(=O)NC(=O)[N-]2)C1	REAL300030577331	1	42	-2.0	-90.82	382.40	-8.12	-98.94
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1	REAL300030577361	0	42	-2.0	-89.15	377.83	0.26	-88.89
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300030577405	0	39	-2.0	-97.25	351.87	-4.28	-101.53
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(N=[N+]=[N-])=C2)C1	REAL300030577440	0	42	-2.0	-90.25	377.47	-3.57	-93.82
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300030577483	0	41	-2.0	-97.05	374.23	-2.98	-100.03
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300030577483	1	41	-2.0	-97.05	374.23	-2.98	-100.03
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300030577494	0	41	-2.0	-97.03	371.13	0.51	-96.52
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300030577626	0	40	-2.0	-96.38	358.90	-2.10	-98.48
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C1	REAL300030577663	0	40	-2.0	-94.94	370.30	0.66	-94.28
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300030577695	1	40	-2.0	-101.53	355.94	-1.36	-102.89
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1	REAL300030577704	1	45	-2.0	-114.20	391.08	0.59	-113.61
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1	REAL300030577707	0	42	-2.0	-100.57	376.38	0.65	-99.92
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1	REAL300030577710	0	42	-2.0	-92.24	375.89	0.79	-91.45
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300030577723	1	40	-2.0	-103.79	364.94	0.50	-103.29
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1	REAL300030577744	0	42	-2.0	-89.45	376.61	-0.90	-90.35
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300030577827	0	38	-2.0	-97.14	347.30	-7.20	-104.34
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300030577827	1	38	-2.0	-86.66	346.75	-6.32	-92.98
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1	REAL300030577861	0	42	-2.0	-100.41	370.14	-2.50	-102.91
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1	REAL300030577904	1	45	-2.0	-106.09	390.26	1.34	-104.75
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1	REAL300030577905	0	36	-2.0	-93.00	350.27	-3.49	-96.49
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300030577929	1	40	-2.0	-95.97	360.41	-4.18	-100.15
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(C)C=C(C#N)C(=O)[N-]2)C1	REAL300030577961	0	43	-2.0	-91.35	384.18	-1.49	-92.84
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300030577983	0	40	-2.0	-102.92	360.42	-1.31	-104.23
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1	REAL300030578042	0	40	-2.0	-92.76	371.69	-0.80	-93.56
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1	REAL300030578048	1	41	-2.0	-91.55	369.87	-1.90	-93.45
COC1=NC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)=CC(=O)[N-]1	REAL300030578054	0	42	-2.0	-94.86	373.49	-6.20	-101.06
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1	REAL300030578057	0	42	-2.0	-101.74	378.32	-2.58	-104.32
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300030578070	0	39	-2.0	-97.49	362.55	-0.36	-97.85
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC=C([O-])C(Cl)=C2)C1	REAL300030578076	1	43	-2.0	-104.20	393.23	0.38	-103.82
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300030578117	0	40	-2.0	-97.61	365.75	-0.87	-98.48
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300030578128	0	39	-2.0	-103.70	340.82	-1.74	-105.44
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030578138	0	36	-2.0	-96.36	329.69	-4.14	-100.50
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC([O-])=C(C)S2)C1	REAL300030578173	1	39	-2.0	-101.69	361.12	-4.07	-105.76
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1	REAL300030578224	1	46	-2.0	-111.86	402.61	1.19	-110.67
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1	REAL300030578244	1	46	-2.0	-106.16	392.76	2.42	-103.74
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1	REAL300030578252	1	46	-2.0	-108.60	393.84	2.39	-106.21
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300030578304	1	42	-2.0	-92.75	370.93	-1.09	-93.84
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300030578341	0	39	-2.0	-103.43	368.25	-3.13	-106.56
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300030578376	1	39	-2.0	-87.85	364.16	-1.07	-88.92
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(SC)[N-]C2=O)C1	REAL300030578402	1	42	-2.0	-96.32	388.35	-3.02	-99.34
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300030578410	0	40	-2.0	-91.28	355.78	-5.78	-97.06
CCN1[N-]C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(OC)C2)=CC1=O	REAL300030578491	0	43	-2.0	-94.25	379.21	-1.83	-96.08
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300030578513	0	40	-2.0	-93.61	357.48	-2.77	-96.38
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300030578530	0	40	-2.0	-94.06	373.95	-4.67	-98.73
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(C)NC(=O)[N-]C2=S)C1	REAL300030578532	1	42	-2.0	-115.50	387.06	-3.39	-118.89
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1	REAL300030578603	1	45	-2.0	-107.04	397.24	-0.70	-107.74
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300030578709	1	40	-2.0	-98.79	356.13	-4.02	-102.81
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300030578715	1	40	-2.0	-96.47	355.90	-1.33	-97.80
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300030578777	0	40	-2.0	-96.08	361.89	-1.27	-97.35
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300030578783	0	39	-2.0	-98.67	358.15	-1.04	-99.71
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=C(C)[N-]N(C)C2=O)C1	REAL300030578804	0	46	-2.0	-102.07	400.50	-1.48	-103.55
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=C(C)C=C2[O-])C1	REAL300030578854	1	42	-2.0	-103.15	367.86	-0.18	-103.33
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1	REAL300030578869	0	41	-2.0	-104.92	383.95	-3.33	-108.25
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300030578890	0	37	-2.0	-99.16	340.69	-2.46	-101.62
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300030578912	0	40	-2.0	-105.91	355.21	-0.88	-106.79
COC1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1	REAL300030578918	0	40	-2.0	-96.81	370.65	0.58	-96.23
COC1(CNC(=O)C2=CN([O-])C(=O)NC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030578970	0	40	-2.0	-88.46	359.43	-3.04	-91.50
COC1(CNC(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030579005	1	41	-2.0	-85.13	371.48	-2.27	-87.40
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C[C@@H]2C1	REAL300030579488	1	48	-2.0	-99.29	386.94	1.98	-97.31
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=NNC(=O)[N-]C3=O)C[C@@H]2C1	REAL300030580455	0	41	-2.0	-109.13	341.14	-2.55	-111.68
O=C(CN1C(=O)[N-]NC1=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030580557	0	43	-2.0	-105.04	358.28	-0.95	-105.99
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CN([O-])C(=O)C=C3)C[C@@H]2C1	REAL300030581264	0	43	-2.0	-105.77	360.61	3.00	-102.77
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)NC([O-])=C3)C[C@@H]2C1	REAL300030581395	0	43	-2.0	-98.98	360.20	-1.63	-100.61
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=COC(=O)[N-]3)C[C@@H]2C1	REAL300030581406	1	39	-2.0	-96.74	324.97	-0.08	-96.82
CCN1[N-]C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)=CC1=O	REAL300030581599	0	46	-2.0	-107.00	373.56	2.24	-104.76
O=C(CC1=CC(=O)N[N-]1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581607	1	43	-2.0	-105.51	354.13	-0.25	-105.76
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC=CC(=S)N3[O-])C[C@@H]2C1	REAL300030581627	0	43	-2.0	-102.47	363.49	3.99	-98.48
O=C(CC1SC(=O)[N-]C1=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581638	0	43	-2.0	-108.94	368.40	-1.16	-110.10
CN1N=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)[N-]C1=O	REAL300030581655	0	42	-2.0	-116.71	348.28	0.09	-116.62
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=C[N-]N=CC3=O)C[C@@H]2C1	REAL300030581752	0	41	-2.0	-105.87	342.86	1.09	-104.78
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC=C4N=NN([O-])C4=C3)C[C@@H]2C1	REAL300030581788	0	45	-2.0	-98.62	372.08	1.35	-97.27
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)N[N-]3)C[C@@H]2C1	REAL300030581873	0	40	-2.0	-102.64	329.42	-0.38	-103.02
C[PH](C)([O-])C(=O)C(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030581878	0	45	-2.0	-101.91	364.45	0.82	-101.09
CN1[N-]C(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)=CC1=O	REAL300030581881	0	46	-2.0	-108.26	376.85	1.47	-106.79
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC=CN([O-])C3=O)C[C@@H]2C1	REAL300030581915	0	43	-2.0	-101.04	351.49	3.01	-98.03
CC1=C([O-])N=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)S1	REAL300030581950	1	42	-2.0	-102.74	356.67	0.62	-102.12
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C[C@@H]2C1	REAL300030581964	1	42	-2.0	-92.85	359.88	3.10	-89.75
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)N([O-])C=C3)C[C@@H]2C1	REAL300030581984	0	43	-2.0	-106.48	360.54	3.40	-103.08
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC=CC(=O)N3[O-])C[C@@H]2C1	REAL300030582027	0	43	-2.0	-101.89	352.41	3.34	-98.55
O=C(C[N-]C(=O)C(F)(F)F)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582165	0	42	-2.0	-100.37	363.33	-0.87	-101.24
NC1=NC([O-])=C(CC(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)S1	REAL300030582166	0	44	-2.0	-120.17	374.80	-1.84	-122.01
O=C(CC1=NC([O-])=CS1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582218	0	42	-2.0	-118.72	359.94	-0.96	-119.68
CCC1=NC=C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)C(=O)[N-]1	REAL300030582239	1	47	-2.0	-96.46	379.44	1.34	-95.12
O=C(CN1N=CC(=O)[N-]C1=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582250	0	44	-2.0	-110.40	369.44	-2.46	-112.86
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=C(Cl)C(=O)[N-]S3)C[C@@H]2C1	REAL300030582315	0	39	-2.0	-101.60	345.46	0.33	-101.27
CC1=CC(=O)C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)=N[N-]1	REAL300030582490	0	44	-2.0	-105.62	358.35	3.32	-102.30
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=NC(=O)N[N-]3)C[C@@H]2C1	REAL300030582506	0	39	-2.0	-97.07	324.78	-0.89	-97.96
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CN=C(C=N[O-])S3)C[C@@H]2C1	REAL300030582640	0	42	-2.0	-110.70	364.18	0.66	-110.04
COC1=NC(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)=CC(=O)[N-]1	REAL300030582656	0	45	-2.0	-108.12	368.03	-1.85	-109.97
CN1[N-]C(C(=O)N2CC[C@H]3CN(C(=O)C4=CC(=O)[N-]O4)C[C@H]3C2)=CC1=O	REAL300030582835	0	43	-2.0	-101.66	352.52	1.49	-100.17
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030582843	0	43	-2.0	-102.45	370.14	-0.81	-103.26
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=NC(=O)[N-]C(=O)N3)C[C@@H]2C1	REAL300030583018	0	41	-2.0	-97.15	342.24	-2.81	-99.96
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=NC(=O)NC(=O)[N-]3)C[C@@H]2C1	REAL300030583018	1	41	-2.0	-94.35	343.64	-2.14	-96.49
O=C(CN1[N-]C(=O)C=CC1=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)[N-]O3)C[C@H]2C1	REAL300030583187	0	45	-2.0	-103.42	375.21	-0.35	-103.77
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=NC=CC=C3[O-])C[C@H]2C1	REAL300030583441	1	42	-2.0	-110.52	342.69	3.49	-107.03
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=NNC(=O)[N-]C3=O)C[C@H]2C1	REAL300030583576	0	41	-2.0	-104.47	342.31	-2.28	-106.75
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030583769	0	43	-2.0	-101.97	358.05	-1.24	-103.21
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C[C@H]2C1	REAL300030584733	1	48	-2.0	-112.45	395.70	2.21	-110.24
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC(Cl)=CC=C3[O-])C[C@H]2C1	REAL300030585421	1	43	-2.0	-104.52	363.89	4.07	-100.45
N#CC1=CC([O-])=CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)=C1	REAL300030585448	1	44	-2.0	-105.73	365.70	2.96	-102.77
CCC1=NC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C(=O)[N-]1	REAL300030585547	1	47	-2.0	-110.86	384.62	1.62	-109.24
O=C(C1=COC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585567	1	39	-2.0	-101.11	325.27	-0.88	-101.99
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585644	0	42	-2.0	-103.19	364.30	-0.46	-103.65
NC1=NC([O-])=C(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)S1	REAL300030585645	0	44	-2.0	-123.65	375.05	-1.34	-124.99
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=C(F)C=C([O-])C=C3F)C[C@H]2C1	REAL300030585655	0	43	-2.0	-97.98	366.52	2.67	-95.31
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C=C3F)C[C@H]2C1	REAL300030585671	1	43	-2.0	-108.82	353.73	2.86	-105.96
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC([O-])=CC(=O)O3)C[C@H]2C1	REAL300030585677	0	42	-2.0	-100.13	349.87	1.81	-98.32
N#CC1=CC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C=C1[O-]	REAL300030585686	1	44	-2.0	-101.31	363.97	2.99	-98.32
O=C(C1=CC(Cl)=NC=C1[O-])N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585690	0	42	-2.0	-100.83	357.17	2.33	-98.50
N#CC1=CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)=C(N)[N-]C1=O	REAL300030585696	0	45	-2.0	-100.98	380.66	-0.61	-101.59
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030585713	0	44	-2.0	-108.06	369.92	-1.88	-109.94
CC1=CC=C([O-])C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)=N1	REAL300030585784	1	45	-2.0	-104.12	363.59	3.58	-100.54
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=C[N-]N=CC3=O)C[C@H]2C1	REAL300030585805	0	41	-2.0	-108.36	344.11	1.36	-107.00
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=CC(F)=C3[O-])C[C@H]2C1	REAL300030585816	0	43	-2.0	-112.20	353.40	3.62	-108.58
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=CC([O-])=C3F)C[C@H]2C1	REAL300030585920	1	43	-2.0	-110.55	353.64	2.33	-108.22
O=C(C1=CC(=O)N[N-]1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586045	0	40	-2.0	-102.06	329.39	-0.41	-102.47
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586051	0	45	-2.0	-93.47	369.18	0.42	-93.05
O=C(C1=CC(=O)N([O-])C=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586159	0	43	-2.0	-108.63	360.40	3.47	-105.16
O=C(C1=NC(=O)N[N-]1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586188	0	39	-2.0	-101.24	324.35	-1.22	-102.46
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=C(O)C=CC=C3Cl)C[C@H]2C1	REAL300030586192	0	43	-2.0	-107.14	369.89	2.96	-104.18
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=C([O-])C=CC=C3Cl)C[C@H]2C1	REAL300030586192	1	43	-2.0	-107.14	369.89	2.96	-104.18
O=C(C1=CC=CN([O-])C1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586197	0	43	-2.0	-140.20	360.32	3.46	-136.74
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=C(F)C=CC(O)=C3F)C[C@H]2C1	REAL300030586227	0	43	-2.0	-107.47	367.27	3.12	-104.35
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=C(F)C=CC([O-])=C3F)C[C@H]2C1	REAL300030586227	1	43	-2.0	-107.47	367.27	3.12	-104.35
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC(F)=CC=C3O)C[C@H]2C1	REAL300030586389	0	43	-2.0	-104.12	353.58	3.63	-100.49
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC(F)=CC=C3[O-])C[C@H]2C1	REAL300030586389	1	43	-2.0	-104.12	353.58	3.63	-100.49
CC1=CC=NC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)=C1O	REAL300030586456	0	45	-2.0	-103.73	362.31	3.68	-100.05
CC1=CC=NC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)=C1[O-]	REAL300030586456	1	45	-2.0	-103.73	362.31	3.68	-100.05
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CN=CC(O)=C3)C[C@H]2C1	REAL300030586587	0	42	-2.0	-100.90	341.55	0.42	-100.48
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CN=CC([O-])=C3)C[C@H]2C1	REAL300030586587	1	42	-2.0	-100.90	341.55	0.42	-100.48
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=CC(=S)N3[O-])C[C@H]2C1	REAL300030586597	0	43	-2.0	-135.50	371.36	3.46	-132.04
O=C(C1=CC=C([O-])C(Cl)=N1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586725	0	42	-2.0	-96.73	359.85	1.93	-94.80
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C(O)C=C3Cl)C[C@H]2C1	REAL300030586771	0	43	-2.0	-108.15	362.18	3.30	-104.85
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C=C3Cl)C[C@H]2C1	REAL300030586771	1	43	-2.0	-108.15	362.18	3.30	-104.85
N#CC1=CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)=C([O-])C=C1N	REAL300030586773	0	46	-2.0	-110.80	381.74	1.94	-108.86
O=C(CC1=NC([O-])=CS1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586783	0	42	-2.0	-113.76	359.43	-0.58	-114.34
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586800	0	45	-2.0	-97.73	375.10	-0.34	-98.07
O=C(CC1SC(=O)[N-]C1=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586917	0	43	-2.0	-91.83	367.18	-1.36	-93.19
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C(F)=C3F)C[C@H]2C1	REAL300030586943	0	43	-2.0	-102.61	359.91	2.41	-100.20
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=CC(Cl)=C3[O-])C[C@H]2C1	REAL300030586950	0	43	-2.0	-107.00	363.21	4.09	-102.91
CC1=CC(=O)C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)=N[N-]1	REAL300030586981	0	44	-2.0	-109.21	359.51	3.58	-105.63
O=C(C=C([O-])C1=CC=C(O)C=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030586985	0	48	-2.0	-110.68	390.31	2.83	-107.85
O=C(C1=CC=CC(=O)N1[O-])N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587009	0	43	-2.0	-130.66	360.25	2.82	-127.84
N#CC1=CC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C(=O)[N-]1	REAL300030587042	0	43	-2.0	-105.47	370.12	0.74	-104.73
CN1N=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)[N-]C1=O	REAL300030587097	0	42	-2.0	-101.15	347.62	-0.54	-101.69
[N-]=[N+]=NC1=CC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)=CC=C1[O-]	REAL300030587123	0	45	-2.0	-97.63	375.57	0.54	-97.09
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=C(F)C=CC(O)=C3O)C[C@H]2C1	REAL300030587159	0	44	-2.0	-100.75	371.05	0.64	-100.11
O=C(C1=C(F)C=CC(O)=C1[O-])N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587159	1	44	-2.0	-100.75	371.05	0.64	-100.11
N#CC1=CC=C([O-])C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)=C1	REAL300030587169	0	44	-2.0	-100.84	366.50	3.98	-96.86
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CN([O-])C(=O)NC3=O)C[C@H]2C1	REAL300030587271	0	43	-2.0	-108.24	365.48	0.84	-107.40
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C(F)C(O)=C3)C[C@H]2C1	REAL300030587330	0	43	-2.0	-106.16	350.03	2.60	-103.56
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C(F)C([O-])=C3)C[C@H]2C1	REAL300030587330	1	43	-2.0	-106.16	350.03	2.60	-103.56
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C(Cl)C=C3O)C[C@H]2C1	REAL300030587350	0	43	-2.0	-112.10	363.80	4.55	-107.55
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C(Cl)C=C3[O-])C[C@H]2C1	REAL300030587350	1	43	-2.0	-112.10	363.80	4.55	-107.55
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)C[C@H]2C1	REAL300030587428	0	41	-2.0	-104.12	343.21	-3.17	-107.29
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)C[C@H]2C1	REAL300030587428	1	41	-2.0	-108.18	344.30	-1.92	-110.10
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C4N=NN([O-])C4=C3)C[C@H]2C1	REAL300030587449	0	45	-2.0	-105.53	367.03	1.61	-103.92
O=C(C1=C(Cl)C(=O)[N-]S1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587480	0	39	-2.0	-99.38	345.49	0.02	-99.36
NC1=NC=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C(=O)[N-]1	REAL300030587498	1	43	-2.0	-111.01	357.99	-0.03	-111.04
CC1=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)[N-]C(=O)C(C#N)=C1	REAL300030587524	0	46	-2.0	-101.65	379.66	2.59	-99.06
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C(F)C([O-])=C3F)C[C@H]2C1	REAL300030587541	0	43	-2.0	-110.39	359.86	2.37	-108.02
COC1=NC(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)=CC(=O)[N-]1	REAL300030587592	0	45	-2.0	-100.27	366.96	-2.05	-102.32
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C4N[N-]N=C4C3=O)C[C@H]2C1	REAL300030587593	0	45	-2.0	-118.67	374.88	1.41	-117.26
O=C(C1=NC=CC(Cl)=C1[O-])N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587603	0	42	-2.0	-103.33	357.46	3.77	-99.56
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C(Cl)C([O-])=C3)C[C@H]2C1	REAL300030587643	0	43	-2.0	-102.08	359.83	3.10	-98.98
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=NC=C3[O-])C[C@H]2C1	REAL300030587653	0	42	-2.0	-114.83	343.03	1.83	-113.00
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587659	0	39	-2.0	-103.06	324.63	-0.18	-103.24
CC1=C([O-])N=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)S1	REAL300030587685	1	42	-2.0	-126.59	357.96	0.37	-126.22
O=C(C(=O)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1)C1=CC=C([O-])C=C1	REAL300030587784	1	45	-2.0	-96.42	368.02	2.50	-93.92
O=C(C1=CN=C(C=N[O-])S1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587810	0	42	-2.0	-108.09	363.59	0.28	-107.81
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C[C@H]2C1	REAL300030587835	1	42	-2.0	-100.91	360.67	3.32	-97.59
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC(=O)NC([O-])=C3)C[C@H]2C1	REAL300030587860	0	43	-2.0	-96.97	361.27	-1.85	-98.82
CCN1[N-]C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)=CC1=O	REAL300030587924	0	46	-2.0	-106.60	375.59	2.42	-104.18
CN1[N-]C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)=CC1=O	REAL300030587946	0	43	-2.0	-106.71	353.78	1.48	-105.23
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030587958	0	43	-2.0	-98.31	369.36	-0.95	-99.26
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030588106	1	43	-2.0	-108.11	354.53	0.31	-107.80
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC=C([O-])C(F)=C3)C[C@H]2C1	REAL300030588111	1	43	-2.0	-102.22	350.00	2.63	-99.59
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2CN(C(=O)C3=CC(F)=C([O-])C(F)=C3)C[C@H]2C1	REAL300030588165	0	43	-2.0	-114.73	357.11	2.71	-112.02
O=C(C1=CC=NC(Cl)=C1[O-])N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030588171	0	42	-2.0	-99.51	357.06	2.16	-97.35
CC1=C(CC(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C(=O)N(C)[N-]1	REAL300030588186	0	49	-2.0	-101.35	395.92	2.23	-99.12
CC1=CN=C(C(=O)N2C[C@@H]3CCN(C(=O)C4=CC(=O)[N-]O4)C[C@@H]3C2)C([O-])=C1	REAL300030588224	1	45	-2.0	-109.21	362.72	3.92	-105.29
O=C(C1=CC([O-])=CS1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030588249	0	40	-2.0	-104.85	337.58	1.15	-103.70
O=C(C1=CN([O-])C(=O)C=C1)N1C[C@@H]2CCN(C(=O)C3=CC(=O)[N-]O3)C[C@@H]2C1	REAL300030588265	0	43	-2.0	-117.20	360.89	3.50	-113.70
O=C(C1=CC(=O)[N-]O1)N1C[C@@H]2CCN(C(=O)C3=CN([O-])C(=O)NC3=O)C[C@@H]2C1	REAL300030588300	0	43	-2.0	-98.39	365.51	0.40	-97.99
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C2CC2)[N-]C1=O	REAL300030588829	1	42	-2.0	-103.25	362.50	0.45	-102.80
O=C(CCCN1C(=O)[N-]NC1=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030589538	0	43	-2.0	-97.68	372.83	-1.60	-99.28
CC(C)CN1[N-]C(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030589694	0	49	-2.0	-104.34	407.61	2.16	-102.18
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030589770	0	41	-2.0	-96.70	360.68	-4.32	-101.02
CC(=O)[N-]C1=NC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=CS1	REAL300030589771	1	39	-2.0	-96.98	356.35	-1.11	-98.09
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030589944	1	42	-2.0	-99.90	366.47	-0.19	-100.09
COC1=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)NC(=O)[N-]C1=O	REAL300030590059	1	40	-2.0	-104.43	350.10	-3.14	-107.57
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NNC(=O)[N-]C1=O	REAL300030590189	0	35	-2.0	-98.40	317.79	-4.73	-103.13
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030590303	0	37	-2.0	-100.67	331.86	-3.07	-103.74
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=N[N-]C2=CC=CC=C2C1=O	REAL300030591075	0	41	-2.0	-104.43	359.78	2.69	-101.74
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)C=C1	REAL300030591201	0	37	-2.0	-108.70	327.38	1.67	-107.03
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)NC([O-])=C1	REAL300030591378	0	37	-2.0	-98.44	327.79	-3.24	-101.68
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=COC(=O)[N-]1	REAL300030591393	1	33	-2.0	-101.21	301.40	-3.66	-104.87
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C2CCC2)[N-]C1=O	REAL300030591448	1	45	-2.0	-106.42	376.39	1.34	-105.08
CCN1[N-]C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030591630	0	40	-2.0	-99.80	350.77	-0.01	-99.81
O=C(CC1=CC(=O)N[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591640	1	37	-2.0	-100.88	325.63	-1.77	-102.65
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=S)N1[O-]	REAL300030591663	0	37	-2.0	-120.34	337.55	3.45	-116.89
O=C(CC1SC(=O)[N-]C1=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591679	0	37	-2.0	-91.13	340.59	-3.49	-94.62
CN1N=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300030591696	0	36	-2.0	-102.32	323.92	-2.50	-104.82
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]N=CC1=O	REAL300030591826	0	35	-2.0	-95.60	308.96	-0.22	-95.82
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C2N=NN([O-])C2=C1	REAL300030591867	0	39	-2.0	-103.52	343.98	0.19	-103.33
CC1=C(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N(C)[N-]1	REAL300030591881	0	43	-2.0	-109.49	368.22	0.65	-108.84
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N[N-]1	REAL300030591972	0	34	-2.0	-96.80	306.23	-2.66	-99.46
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030591976	0	39	-2.0	-99.49	337.87	-1.13	-100.62
CN1[N-]C(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030591979	0	40	-2.0	-103.19	348.46	-0.05	-103.24
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CN([O-])C1=O	REAL300030592022	0	37	-2.0	-117.97	326.53	1.57	-116.40
CSC1=NC=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030592046	1	39	-2.0	-106.14	350.95	-0.35	-106.49
CC1=C([O-])N=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030592069	1	36	-2.0	-109.43	333.00	-2.55	-111.98
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)C=C(Cl)[N-]1	REAL300030592089	1	36	-2.0	-93.12	336.38	0.63	-92.49
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N([O-])C=C1	REAL300030592108	0	37	-2.0	-107.66	329.43	1.38	-106.28
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=O)N1[O-]	REAL300030592171	0	37	-2.0	-118.99	326.44	2.41	-116.58
O=C(C[N-]C(=O)C(F)(F)F)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592356	0	36	-2.0	-95.45	334.67	-2.51	-97.96
NC1=NC([O-])=C(CC(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030592357	0	38	-2.0	-107.23	347.52	-3.62	-110.85
O=C(CC1=NC([O-])=CS1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592425	0	36	-2.0	-105.08	331.06	-2.47	-107.55
CCC1=NC=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030592451	1	41	-2.0	-101.64	351.42	-0.14	-101.78
O=C(CN1N=CC(=O)[N-]C1=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030592464	0	38	-2.0	-99.14	340.97	-3.93	-103.07
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=C(Cl)C(=O)[N-]S1	REAL300030592548	0	33	-2.0	-96.59	323.79	-1.36	-97.95
COCC1=NC=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300030592660	0	42	-2.0	-102.11	364.35	-1.90	-104.01
COCC1=NC=C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030592660	1	42	-2.0	-102.11	364.35	-1.90	-104.01
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(CC2CC2)NC1=O	REAL300030592673	0	45	-2.0	-101.88	382.35	1.45	-100.43
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(CC2CC2)[N-]C1=O	REAL300030592673	1	45	-2.0	-101.88	382.35	1.45	-100.43
CC1=CC(=O)C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300030592770	0	38	-2.0	-103.24	333.54	1.40	-101.84
CN1N=CC2=C1[N-]C=C(C(=O)N[C@@H]1[C@H]3C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C3)C2=O	REAL300030592774	0	42	-2.0	-99.78	363.58	1.61	-98.17
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)N[N-]1	REAL300030592790	0	33	-2.0	-100.26	300.82	-3.95	-104.21
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300030592809	0	38	-2.0	-97.00	343.42	0.36	-96.64
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030592809	1	38	-2.0	-97.00	343.42	0.36	-96.64
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN=C(C=N[O-])S1	REAL300030592944	0	36	-2.0	-106.81	340.16	-0.81	-107.62
COC1=NC(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=CC(=O)[N-]1	REAL300030592964	0	39	-2.0	-98.89	346.95	-4.64	-103.53
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC2=C1C(=O)N=C[N-]2	REAL300030593142	1	41	-2.0	-113.32	355.15	2.34	-110.98
CN1[N-]C(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030593188	0	37	-2.0	-99.08	329.05	-0.95	-100.03
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	REAL300030593199	0	37	-2.0	-97.48	341.45	-2.55	-100.03
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)[N-]C(=O)N1	REAL300030593419	0	35	-2.0	-106.16	317.91	-5.45	-111.61
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)NC(=O)[N-]1	REAL300030593419	1	35	-2.0	-98.63	318.50	-4.67	-103.30
O=C(COC1=NC(=O)[N-]C(=O)N1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593501	0	39	-2.0	-100.52	351.44	-6.26	-106.78
O=C(COC1=NC(=O)NC(=O)[N-]1)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593501	1	39	-2.0	-95.16	351.58	-6.19	-101.35
O=C(CN1[N-]C(=O)C=CC1=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030593653	0	39	-2.0	-101.05	348.02	-2.08	-103.13
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NC=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030593897	1	36	-2.0	-114.73	317.43	1.17	-113.56
O=C(CCN1C=C[N-]C(=O)C1=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030594027	1	42	-2.0	-109.93	368.93	0.34	-109.59
CC(=O)[N-]C1=NC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300030594045	1	39	-2.0	-94.93	354.20	-0.49	-95.42
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030594086	0	35	-2.0	-104.65	317.25	-4.56	-109.21
COC1=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300030594156	1	40	-2.0	-104.52	347.13	-3.00	-107.52
O=C(CN1C(=O)[N-]NC1=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030594369	0	37	-2.0	-103.20	333.32	-2.26	-105.46
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030594439	0	41	-2.0	-100.67	368.39	0.20	-100.47
O=C(CCCN1C(=O)[N-]NC1=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030595637	0	43	-2.0	-96.94	376.97	-1.47	-98.41
CC(C)CN1[N-]C(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030595848	0	49	-2.0	-106.38	414.60	2.54	-103.84
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030595908	1	42	-2.0	-120.65	369.02	0.53	-120.12
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030596162	0	42	-2.0	-90.65	366.13	0.22	-90.43
CC1=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C(C)C)=N1	REAL300030596717	1	47	-2.0	-122.23	396.86	0.90	-121.33
O=C(CCC1=NNC(=O)[N-]C1=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597064	0	41	-2.0	-96.11	363.19	-3.80	-99.91
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030597074	0	39	-2.0	-104.40	344.43	2.62	-101.78
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(Cl)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030597093	1	37	-2.0	-113.62	337.89	2.36	-111.26
N#CC1=CC([O-])=CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030597134	1	38	-2.0	-102.28	338.86	1.16	-101.12
NC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C([O-])=C1Cl	REAL300030597171	0	39	-2.0	-123.06	348.25	0.58	-122.48
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030597243	0	39	-2.0	-125.67	347.25	3.33	-122.34
CCC1=NC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030597282	1	41	-2.0	-118.38	358.18	-0.12	-118.50
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=COC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030597312	1	33	-2.0	-97.75	299.45	-2.70	-100.45
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=CC([O-])=C1[N+](=O)[O-])C2)C1=CC(=O)[N-]O1	REAL300030597409	0	39	-2.0	-118.30	350.24	2.64	-115.66
O=C(C[N-]C(=O)C(F)(F)F)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597429	0	36	-2.0	-99.34	336.66	-2.35	-101.69
NC1=NC([O-])=C(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)S1	REAL300030597430	0	38	-2.0	-121.93	348.40	-2.85	-124.78
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C(F)C=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300030597443	0	37	-2.0	-98.11	339.72	1.21	-96.90
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300030597476	1	37	-2.0	-105.49	326.92	0.99	-104.50
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC([O-])=C3SC=CC3=C1)C2)C1=CC(=O)[N-]O1	REAL300030597487	1	40	-2.0	-118.75	355.45	2.14	-116.61
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC([O-])=CC(=O)O1)C2)C1=CC(=O)[N-]O1	REAL300030597490	0	36	-2.0	-98.88	324.38	0.31	-98.57
N#CC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300030597505	1	38	-2.0	-97.74	338.62	1.21	-96.53
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(Cl)=NC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030597511	0	36	-2.0	-106.51	329.61	0.83	-105.68
N#CC1=CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=C(N)[N-]C1=O	REAL300030597520	0	39	-2.0	-102.39	355.13	-1.82	-104.21
O=C(CN1N=CC(=O)[N-]C1=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597541	0	38	-2.0	-109.77	343.10	-3.44	-113.21
CC1=CC=C([O-])C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030597654	1	39	-2.0	-117.61	337.59	2.02	-115.59
O=C(CCC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030597658	0	39	-2.0	-95.43	344.77	-2.05	-97.48
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C[N-]N=CC1=O)C2)C1=CC(=O)[N-]O1	REAL300030597687	0	35	-2.0	-104.62	316.84	-0.43	-105.05
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030597702	0	37	-2.0	-126.94	325.87	2.20	-124.74
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030597860	1	37	-2.0	-122.26	326.13	0.94	-121.32
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030597958	0	39	-2.0	-112.37	344.44	2.56	-109.81
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030598037	0	34	-2.0	-100.04	304.28	-2.22	-102.26
C[PH](C)([O-])C(=O)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598045	0	39	-2.0	-92.71	338.14	-0.66	-93.37
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030598080	0	42	-2.0	-113.40	373.68	2.28	-111.12
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CN=C(CC3CC3)NC1=O)C2)C1=CC(=O)[N-]O1	REAL300030598104	0	45	-2.0	-118.46	389.11	1.48	-116.98
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CN=C(CC3CC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030598104	1	45	-2.0	-118.46	389.11	1.48	-116.98
COCC1=NC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030598130	0	42	-2.0	-117.83	371.11	-1.88	-119.71
COCC1=NC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030598130	1	42	-2.0	-117.83	371.11	-1.88	-119.71
CC1=CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=CC([N+](=O)[O-])=C1[O-]	REAL300030598140	0	42	-2.0	-98.27	363.99	3.32	-94.95
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300030598206	0	37	-2.0	-115.10	323.98	1.34	-113.76
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(F)=C(F)C([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030598247	0	37	-2.0	-112.56	338.68	1.06	-111.50
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030598249	0	33	-2.0	-99.62	299.39	-3.25	-102.87
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C(O)C=CC=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300030598254	0	37	-2.0	-103.21	342.35	1.62	-101.59
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C([O-])C=CC=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300030598254	1	37	-2.0	-103.21	342.35	1.62	-101.59
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=CN([O-])C1=O)C2)C1=CC(=O)[N-]O1	REAL300030598264	0	37	-2.0	-138.68	332.96	1.65	-137.03
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C(F)C=CC(O)=C1F)C2)C1=CC(=O)[N-]O1	REAL300030598313	0	37	-2.0	-99.67	339.42	1.18	-98.49
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C(F)C=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030598313	1	37	-2.0	-99.67	339.42	1.18	-98.49
N#CC1=CN(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C1=O	REAL300030598474	0	40	-2.0	-100.50	369.97	-1.59	-102.09
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(F)=CC=C1O)C2)C1=CC(=O)[N-]O1	REAL300030598560	0	37	-2.0	-112.58	327.58	1.91	-110.67
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(F)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030598560	1	37	-2.0	-112.58	327.58	1.91	-110.67
CC1=CC=NC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=C1O	REAL300030598676	0	39	-2.0	-116.49	336.31	2.12	-114.37
CC1=CC=NC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300030598676	1	39	-2.0	-116.49	336.31	2.12	-114.37
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C(Cl)C(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030598745	0	37	-2.0	-124.21	342.66	2.75	-121.46
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CN=CC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030598886	1	36	-2.0	-98.70	313.31	-1.02	-99.72
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=CC(=S)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300030598902	0	37	-2.0	-136.06	333.79	3.12	-132.94
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030599077	1	45	-2.0	-119.50	384.91	1.09	-118.41
NC1=CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=CC([O-])=C1Cl	REAL300030599096	1	39	-2.0	-99.39	346.71	-0.74	-100.13
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C([O-])C(Cl)=N1)C2)C1=CC(=O)[N-]O1	REAL300030599101	0	36	-2.0	-94.15	334.18	0.23	-93.92
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599179	0	41	-2.0	-98.04	359.34	1.15	-96.89
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C([O-])C=C1Cl)C2)C1=CC(=O)[N-]O1	REAL300030599186	1	37	-2.0	-102.84	335.49	1.41	-101.43
N#CC1=CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=C([O-])C=C1N	REAL300030599189	0	40	-2.0	-113.36	353.46	0.39	-112.97
O=C(CC1=NC([O-])=CS1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599204	0	36	-2.0	-114.60	335.69	-2.34	-116.94
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C([O-])C=CC=C1F)C2)C1=CC(=O)[N-]O1	REAL300030599232	0	37	-2.0	-105.61	333.12	1.25	-104.36
O=C(CN1[N-]C(=O)C=CC1=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599236	0	39	-2.0	-99.50	351.33	-1.79	-101.29
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C(F)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030599241	0	37	-2.0	-121.94	326.69	2.26	-119.68
CC1=CC=C(F)C([O-])=C1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599301	0	40	-2.0	-98.92	352.92	2.20	-96.72
O=C(CC1SC(=O)[N-]C1=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599414	0	37	-2.0	-89.78	343.00	-3.11	-92.89
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C([O-])C(F)=C1F)C2)C1=CC(=O)[N-]O1	REAL300030599448	0	37	-2.0	-108.33	333.03	1.04	-107.29
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030599452	1	38	-2.0	-105.29	349.54	-0.38	-105.67
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030599459	0	37	-2.0	-120.45	335.67	2.65	-117.80
CC1=CC(=O)C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030599503	0	38	-2.0	-106.34	332.76	1.61	-104.73
O=C(C=C([O-])C1=CC=C(O)C=C1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599508	0	42	-2.0	-118.24	365.89	1.11	-117.13
CN1N=CC2=C1[N-]C=C(C(=O)N1C[C@@H]3C[C@H]1[C@@H]3NC(=O)C1=CC(=O)[N-]O1)C2=O	REAL300030599512	0	42	-2.0	-109.12	371.65	1.40	-107.72
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=CC(=O)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300030599547	0	37	-2.0	-133.59	322.68	2.10	-131.49
N#CC1=CC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030599597	0	37	-2.0	-113.25	342.67	-0.65	-113.90
O=C(COC1=NC(=O)[N-]C(=O)N1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599598	0	39	-2.0	-98.75	354.11	-5.72	-104.47
O=C(COC1=NC(=O)NC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030599598	1	39	-2.0	-99.01	353.65	-6.02	-105.03
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C2)C1=CC(=O)[N-]O1	REAL300030599630	0	39	-2.0	-91.84	349.64	2.43	-89.41
CN1N=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030599680	0	36	-2.0	-104.61	323.04	-2.28	-106.89
[N-]=[N+]=NC1=CC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=CC=C1[O-]	REAL300030599727	0	39	-2.0	-102.79	346.17	-1.37	-104.16
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C(F)C=CC(O)=C1O)C2)C1=CC(=O)[N-]O1	REAL300030599774	0	38	-2.0	-105.12	343.79	-0.72	-105.84
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C(F)C=CC(O)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030599774	1	38	-2.0	-105.12	343.79	-0.72	-105.84
N#CC1=CC=C([O-])C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030599788	0	38	-2.0	-108.73	342.02	2.26	-106.47
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CN([O-])C(=O)NC1=O)C2)C1=CC(=O)[N-]O1	REAL300030599951	0	37	-2.0	-103.75	338.39	-0.93	-104.68
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(Cl)=C(F)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030599995	0	37	-2.0	-114.01	342.86	2.75	-111.26
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C(F)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030600035	1	37	-2.0	-116.64	324.68	0.82	-115.82
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C([O-])C3=NC=CC=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030600045	1	42	-2.0	-133.55	360.57	2.60	-130.95
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030600049	0	39	-2.0	-118.83	348.45	2.85	-115.98
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030600053	0	39	-2.0	-107.64	348.30	2.83	-104.81
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C(Cl)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030600067	1	37	-2.0	-121.66	337.00	2.71	-118.95
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030600099	0	39	-2.0	-94.17	346.20	1.43	-92.74
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NC(=O)[N-]C(=O)N1)C2)C1=CC(=O)[N-]O1	REAL300030600208	0	35	-2.0	-95.21	317.61	-4.06	-99.27
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NC(=O)NC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030600208	1	35	-2.0	-95.21	317.61	-4.06	-99.27
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2)C1=CC(=O)[N-]O1	REAL300030600258	0	39	-2.0	-100.14	340.70	-0.16	-100.30
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C(O)C3=CC=CC=C3C=N1)C2)C1=CC(=O)[N-]O1	REAL300030600307	0	42	-2.0	-118.62	362.36	3.51	-115.11
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2)C1=CC(=O)[N-]O1	REAL300030600307	1	42	-2.0	-118.62	362.36	3.51	-115.11
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C(Cl)C(=O)[N-]S1)C2)C1=CC(=O)[N-]O1	REAL300030600308	0	33	-2.0	-100.55	319.40	-1.24	-101.79
NC1=NC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030600337	0	37	-2.0	-118.49	331.55	-1.78	-120.27
NC1=NC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030600337	1	37	-2.0	-118.49	331.55	-1.78	-120.27
CC1=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300030600380	0	40	-2.0	-93.32	353.66	0.89	-92.43
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C2)C1=CC(=O)[N-]O1	REAL300030600481	0	37	-2.0	-99.24	340.18	1.43	-97.81
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030600490	0	38	-2.0	-98.04	338.30	0.26	-97.78
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030600490	1	38	-2.0	-98.04	338.30	0.26	-97.78
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C3N[N-]N=C3C1=O)C2)C1=CC(=O)[N-]O1	REAL300030600500	0	39	-2.0	-112.49	349.09	-0.64	-113.13
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=NC=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030600513	0	36	-2.0	-112.27	332.14	1.96	-110.31
O=C(CC1=CC=C(O)C(Cl)=C1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600520	0	40	-2.0	-101.83	365.29	2.94	-98.89
O=C(CC1=CC=C([O-])C(Cl)=C1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030600520	1	40	-2.0	-101.83	365.29	2.94	-98.89
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)[N-]O1	REAL300030600594	0	33	-2.0	-101.29	300.97	-2.18	-103.47
CC1SC(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030600645	0	36	-2.0	-103.02	330.78	-1.78	-104.80
CC1=C([O-])N=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)S1	REAL300030600645	1	36	-2.0	-103.02	330.78	-1.78	-104.80
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C(O)C=CC3=CC=CC=C31)C2)C1=CC(=O)[N-]O1	REAL300030600707	0	43	-2.0	-118.80	373.22	3.78	-115.02
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C([O-])C=CC3=CC=CC=C31)C2)C1=CC(=O)[N-]O1	REAL300030600707	1	43	-2.0	-118.80	373.22	3.78	-115.02
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C(O)C3=CC=CC=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030600726	0	43	-2.0	-117.24	365.08	4.46	-112.78
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C([O-])C3=CC=CC=C3C=C1)C2)C1=CC(=O)[N-]O1	REAL300030600726	1	43	-2.0	-117.24	365.08	4.46	-112.78
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC3=CC=CC=C3C=C1O)C2)C1=CC(=O)[N-]O1	REAL300030600735	0	43	-2.0	-130.39	368.05	4.20	-126.19
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC3=CC=CC=C3C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030600735	1	43	-2.0	-130.39	368.05	4.20	-126.19
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C(=O)C1=CC=C(O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300030600794	0	39	-2.0	-97.72	343.21	0.81	-96.91
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C(=O)C1=CC=C([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300030600794	1	39	-2.0	-97.72	343.21	0.81	-96.91
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CN=C(C=N[O-])S1)C2)C1=CC(=O)[N-]O1	REAL300030600834	0	36	-2.0	-110.34	337.52	-0.98	-111.32
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030600872	1	36	-2.0	-95.10	335.42	0.99	-94.11
CSC1=NC=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030600903	1	39	-2.0	-119.95	359.50	-0.61	-120.56
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)NC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030600913	0	37	-2.0	-98.19	324.32	-3.53	-101.72
CCN1[N-]C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030601011	0	40	-2.0	-105.08	349.01	0.41	-104.67
O=C(CNC(=O)C1=NC=CC=C1[O-])N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030601023	1	43	-2.0	-107.69	378.79	0.11	-107.58
CN1[N-]C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030601037	0	37	-2.0	-102.53	326.95	-0.50	-103.03
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=CC3=C1C(=O)[N-]C3=O)C2)C1=CC(=O)[N-]O1	REAL300030601051	1	40	-2.0	-102.46	352.63	-0.36	-102.82
O=C(CSC1=NNC(=O)[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030601056	0	37	-2.0	-102.54	343.77	-2.44	-104.98
CC1=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300030601058	1	39	-2.0	-122.91	355.87	-0.62	-123.53
CC1=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C2CC2)=N1	REAL300030601069	1	45	-2.0	-122.26	387.03	1.29	-120.97
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C([O-])C=NC3=CC=CC=C31)C2)C1=CC(=O)[N-]O1	REAL300030601136	1	42	-2.0	-113.60	367.93	1.87	-111.73
O=C(CC1=CC(=O)N[N-]1)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1	REAL300030601264	1	37	-2.0	-101.11	330.18	-1.63	-102.74
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300030601271	1	37	-2.0	-107.04	324.64	0.87	-106.17
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(F)=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300030601345	0	37	-2.0	-101.91	330.58	1.00	-100.91
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC=NC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030601351	0	36	-2.0	-110.21	328.99	0.80	-109.41
CC1=C(CC(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300030601376	0	43	-2.0	-99.97	370.48	1.16	-98.81
O=C(CCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1=CC(=O)[N-]O1)C1=CC=C([O-])C=C1	REAL300030601388	1	45	-2.0	-96.06	390.67	3.02	-93.04
CC1=CN=C(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030601432	1	39	-2.0	-118.33	337.43	2.07	-116.26
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=C(O)C=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030601451	0	38	-2.0	-101.98	353.57	-1.04	-103.02
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC([O-])=CS1)C2)C1=CC(=O)[N-]O1	REAL300030601477	0	34	-2.0	-108.08	312.27	-0.42	-108.50
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CN([O-])C(=O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300030601505	0	37	-2.0	-114.75	323.56	1.33	-113.42
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(F)=CC(Cl)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030601513	0	37	-2.0	-113.40	342.58	2.77	-110.63
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)NC1=O	REAL300030601565	0	37	-2.0	-98.67	330.34	-0.68	-99.35
O=C(N[C@@H]1[C@H]2C[C@@H]1N(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030601598	1	38	-2.0	-94.46	341.10	-0.08	-94.54
O=C(NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300030601953	1	42	-2.0	-92.25	370.86	-7.65	-99.90
O=C(NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300030602025	0	43	-2.0	-98.28	374.78	-6.02	-104.30
O=C(NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)N[N-]1	REAL300030602084	0	42	-2.0	-104.99	369.38	-7.31	-112.30
O=C(NC12CC(CO)(C1)OC21CN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030602502	1	42	-2.0	-97.27	369.67	-6.42	-103.69
O=C(NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030602559	0	43	-2.0	-91.17	375.42	-6.52	-97.69
O=C(NC12CC(CO)(C1)OC21CN(C(=O)C2=NNC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030602572	0	42	-2.0	-94.77	369.87	-7.94	-102.71
O=C(NC12CC(CO)(C1)OC21CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300030602725	0	42	-2.0	-93.98	370.44	-6.20	-100.18
O=C(NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300030603735	1	39	-2.0	-93.56	344.35	-2.83	-96.39
CN1N=C(C(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030603835	0	42	-2.0	-101.08	366.11	-1.79	-102.87
O=C(NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300030603871	0	41	-2.0	-86.16	353.40	0.32	-85.84
O=C(NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300030603913	0	40	-2.0	-94.40	348.93	-1.96	-96.36
C[PH](C)([O-])C(=O)C(=O)NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030603917	0	45	-2.0	-93.45	382.05	-0.56	-94.01
CC1=CC(=O)C(C(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030604141	0	44	-2.0	-99.19	377.91	1.93	-97.26
O=C(NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]1	REAL300030604147	0	39	-2.0	-98.35	343.42	-3.43	-101.78
CN1[N-]C(C(=O)NC2CN3C=CN=C3CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030604267	0	43	-2.0	-96.97	371.67	-0.26	-97.23
O=C(NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)F	REAL300030604303	0	38	-2.0	-87.09	341.72	0.14	-86.95
O=C([N-]C1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)F	REAL300030604303	1	38	-2.0	-87.09	341.72	0.14	-86.95
O=C(NC1CN2C=CN=C2CN(C(=O)C2=NC=CC=C2O)C1)C1=CC(=O)[N-]O1	REAL300030604650	0	42	-2.0	-105.20	360.37	2.20	-103.00
O=C(NC1CN2C=CN=C2CN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030604650	1	42	-2.0	-105.20	360.37	2.20	-103.00
O=C(NC1CN2C=CN=C2CN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030605349	1	39	-2.0	-92.44	343.82	-1.37	-93.81
O=C(NC1CN2C=CN=C2CN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300030605441	0	41	-2.0	-89.89	362.57	0.03	-89.86
O=C(NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030605538	0	40	-2.0	-93.80	348.40	-1.39	-95.19
C[PH](C)([O-])C(=O)C(=O)N1CC2=NC=CN2CC(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030605542	0	45	-2.0	-95.00	387.56	-0.43	-95.43
O=C(NC1CN2C=CN=C2CN(C(=O)C2=NC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030605582	0	39	-2.0	-93.14	343.52	-2.05	-95.19
CC1=CC=NC(C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300030605693	1	45	-2.0	-105.10	380.77	2.89	-102.21
CC1=CC(=O)C(C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030605852	0	44	-2.0	-97.70	377.47	2.19	-95.51
CN1N=C(C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030605892	0	42	-2.0	-99.89	366.18	-1.31	-101.20
O=C(NC1CN2C=CN=C2CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300030606088	0	39	-2.0	-98.54	343.66	-1.49	-100.03
CN1[N-]C(C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030606203	0	43	-2.0	-96.08	371.11	0.30	-95.78
CC1=CN=C(C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)C(O)=C1	REAL300030606307	0	45	-2.0	-106.71	381.82	2.84	-103.87
CC1=CN=C(C(=O)N2CC3=NC=CN3CC(NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030606307	1	45	-2.0	-106.71	381.82	2.84	-103.87
O=C(NC1CN2C=CN=C2CN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300030606317	0	40	-2.0	-101.46	355.38	0.53	-100.93
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NNC(=O)[N-]C1=O	REAL300030607220	0	44	-2.0	-113.53	370.15	-3.08	-116.61
O=C(CN1C(=O)[N-]NC1=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607281	0	46	-2.0	-111.97	383.97	-1.52	-113.49
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CN([O-])C(=O)C=C1	REAL300030607709	0	46	-2.0	-102.63	379.46	2.90	-99.73
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)NC([O-])=C1	REAL300030607797	0	46	-2.0	-92.40	379.93	-2.02	-94.42
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=COC(=O)[N-]1	REAL300030607808	1	42	-2.0	-98.00	353.46	-2.09	-100.09
O=C([N-]C1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C(F)(F)C(F)(F)F	REAL300030607874	1	41	-2.0	-94.74	358.85	1.27	-93.47
CCN1[N-]C(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030607932	0	49	-2.0	-95.61	401.37	1.46	-94.15
O=C(CC1=CC(=O)N[N-]1)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030607939	1	46	-2.0	-100.28	377.78	-0.44	-100.72
CN1N=C(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300030607966	0	45	-2.0	-100.68	374.37	-0.85	-101.53
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=C[N-]N=CC1=O	REAL300030608029	0	44	-2.0	-92.04	361.34	1.12	-90.92
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N[N-]1	REAL300030608100	0	43	-2.0	-95.20	357.12	-1.06	-96.26
C[PH](C)([O-])C(=O)C(=O)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608105	0	48	-2.0	-90.31	395.68	0.26	-90.05
O=C(CCC1=NC(=O)NN1)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608127	0	48	-2.0	-102.69	392.75	-1.52	-104.21
O=C(CCC1=NC(=O)[N-]N1)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608127	1	48	-2.0	-102.69	392.75	-1.52	-104.21
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CN([O-])C1=O	REAL300030608130	0	46	-2.0	-116.61	377.41	3.19	-113.42
CC1SC(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300030608151	0	45	-2.0	-103.87	385.13	-0.88	-104.75
CC1=C([O-])N=C(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030608151	1	45	-2.0	-103.87	385.13	-0.88	-104.75
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)N([O-])C=C1	REAL300030608169	0	46	-2.0	-103.97	379.83	2.88	-101.09
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=CC(=O)N1[O-]	REAL300030608194	0	46	-2.0	-114.02	377.31	4.00	-110.02
O=C(CC1=NC([O-])=CS1)NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030608313	0	45	-2.0	-112.02	383.63	-1.15	-113.17
CC1=CC(=O)C(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300030608483	0	47	-2.0	-114.67	387.31	2.78	-111.89
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)N[N-]1	REAL300030608494	0	42	-2.0	-97.55	351.71	-2.35	-99.90
CN1[N-]C(C(=O)NC2CC3(C2)CCCN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030608695	0	46	-2.0	-97.70	379.93	0.65	-97.05
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)[N-]C(=O)N1	REAL300030608801	0	44	-2.0	-99.54	370.24	-4.10	-103.64
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=NC(=O)NC(=O)[N-]1	REAL300030608801	1	44	-2.0	-99.82	372.37	-3.30	-103.12
O=C(NC1CC2(C1)CCCN(C(=O)C1=NC=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030609156	1	45	-2.0	-106.85	371.44	2.46	-104.39
O=C(NC1CC2(C1)CCCN(C(=O)C1=NNC(=O)[N-]C1=O)C2)C1=CC(=O)[N-]O1	REAL300030609259	0	44	-2.0	-98.50	370.18	-2.78	-101.28
O=C(CN1C(=O)[N-]NC1=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030609367	0	46	-2.0	-104.41	387.16	-1.29	-105.70
N#CC1=CC([O-])=CC(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030610303	1	47	-2.0	-89.54	398.20	2.66	-86.88
O=C(NC1CC2(C1)CCCN(C(=O)C1=COC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030610373	1	42	-2.0	-91.98	352.13	-0.59	-92.57
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC=C([O-])C=C1F)C2)C1=CC(=O)[N-]O1	REAL300030610446	1	46	-2.0	-95.86	384.58	2.38	-93.48
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC([O-])=CC(=O)O1)C2)C1=CC(=O)[N-]O1	REAL300030610451	0	45	-2.0	-93.91	379.34	1.76	-92.15
N#CC1=CC=C(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C=C1[O-]	REAL300030610454	1	47	-2.0	-88.56	397.11	2.70	-85.86
CC1=CC=C([O-])C(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300030610513	1	48	-2.0	-102.06	393.15	3.03	-99.03
O=C(NC1CC2(C1)CCCN(C(=O)C1=C[N-]N=CC1=O)C2)C1=CC(=O)[N-]O1	REAL300030610525	0	44	-2.0	-82.28	365.84	0.77	-81.51
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC=CC(F)=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030610532	0	46	-2.0	-111.38	384.00	3.36	-108.02
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC=CC([O-])=C1F)C2)C1=CC(=O)[N-]O1	REAL300030610604	1	46	-2.0	-109.66	381.43	2.35	-107.31
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030610679	0	43	-2.0	-94.48	358.49	-0.57	-95.05
C[PH](C)([O-])C(=O)C(=O)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030610685	0	48	-2.0	-92.42	397.67	0.39	-92.03
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)N([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300030610744	0	46	-2.0	-113.59	382.72	2.82	-110.77
O=C(NC1CC2(C1)CCCN(C(=O)C1=NC(=O)N[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030610761	0	42	-2.0	-97.31	353.25	-1.23	-98.54
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC=CN([O-])C1=O)C2)C1=CC(=O)[N-]O1	REAL300030610766	0	46	-2.0	-103.03	379.04	2.72	-100.31
NC1=CC(=O)[N-]C(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=N1	REAL300030610853	0	46	-2.0	-102.79	381.39	-1.07	-103.86
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(F)=CC=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030610886	1	46	-2.0	-104.80	384.36	2.69	-102.11
CC1=CC=NC(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C1[O-]	REAL300030610933	1	48	-2.0	-103.51	393.33	3.23	-100.28
O=C(NC1CC2(C1)CCCN(C(=O)C1=CN=CC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030611001	1	45	-2.0	-102.22	370.26	0.32	-101.90
O=C(CC1=NC([O-])=CS1)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611103	0	45	-2.0	-114.49	388.04	-0.93	-115.42
O=C(NC1CC2(C1)CCCN(C(=O)C1=C([O-])C=CC=C1F)C2)C1=CC(=O)[N-]O1	REAL300030611116	0	46	-2.0	-96.44	387.26	2.54	-93.90
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC=C(F)C=C1[O-])C2)C1=CC(=O)[N-]O1	REAL300030611117	0	46	-2.0	-108.64	384.32	2.74	-105.90
CC1=CC(=O)C(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=N[N-]1	REAL300030611226	0	47	-2.0	-96.87	387.38	3.11	-93.76
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC=CC(=O)N1[O-])C2)C1=CC(=O)[N-]O1	REAL300030611244	0	46	-2.0	-125.76	383.30	3.49	-122.27
N#CC1=CC=C(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030611264	0	46	-2.0	-85.80	388.60	0.54	-85.26
CN1N=C(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)[N-]C1=O	REAL300030611294	0	45	-2.0	-100.13	375.95	-0.42	-100.55
N#CC1=CC=C(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C([O-])=C1	REAL300030611329	0	47	-2.0	-106.00	398.72	3.09	-102.91
N#CC1=CC=C([O-])C(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=C1	REAL300030611335	0	47	-2.0	-95.17	397.70	3.11	-92.06
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC=C(F)C([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030611433	1	46	-2.0	-106.18	383.15	2.32	-103.86
O=C(NC1CC2(C1)CCCN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2)C1=CC(=O)[N-]O1	REAL300030611491	0	44	-2.0	-92.77	372.34	-2.26	-95.03
O=C(NC1CC2(C1)CCCN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2)C1=CC(=O)[N-]O1	REAL300030611491	1	44	-2.0	-92.77	372.34	-2.26	-95.03
NC1=NC=C(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)N1	REAL300030611531	0	46	-2.0	-89.97	377.27	-0.59	-90.56
NC1=NC=C(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C(=O)[N-]1	REAL300030611531	1	46	-2.0	-89.97	377.27	-0.59	-90.56
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC(=O)[N-]O1	REAL300030611628	0	42	-2.0	-98.82	351.86	-0.57	-99.39
CC1SC(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=NC1=O	REAL300030611645	0	45	-2.0	-106.31	385.46	0.19	-106.12
CC1=C([O-])N=C(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)S1	REAL300030611645	1	45	-2.0	-106.31	385.46	0.19	-106.12
O=C(NC1CC2(C1)CCCN(C(=O)C(=O)C1=CC=C(O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300030611724	0	48	-2.0	-98.45	396.45	2.45	-96.00
O=C(NC1CC2(C1)CCCN(C(=O)C(=O)C1=CC=C([O-])C=C1)C2)C1=CC(=O)[N-]O1	REAL300030611724	1	48	-2.0	-98.45	396.45	2.45	-96.00
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC(=O)NC([O-])=C1)C2)C1=CC(=O)[N-]O1	REAL300030611762	0	46	-2.0	-90.02	387.45	-1.93	-91.95
CCN1[N-]C(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300030611807	0	49	-2.0	-91.61	401.16	1.96	-89.65
CN1[N-]C(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)=CC1=O	REAL300030611823	0	46	-2.0	-91.58	379.35	1.03	-90.55
O=C(CC1=CC(=O)N[N-]1)N1CCCC2(CC(NC(=O)C3=CC(=O)[N-]O3)C2)C1	REAL300030611913	1	46	-2.0	-106.41	382.16	-0.21	-106.62
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC=C([O-])C(F)=C1)C2)C1=CC(=O)[N-]O1	REAL300030611917	1	46	-2.0	-97.11	383.12	2.35	-94.76
CC1=CN=C(C(=O)N2CCCC3(CC(NC(=O)C4=CC(=O)[N-]O4)C3)C2)C([O-])=C1	REAL300030611986	1	48	-2.0	-108.41	392.89	3.07	-105.34
O=C(NC1CC2(C1)CCCN(C(=O)C1=CC([O-])=CS1)C2)C1=CC(=O)[N-]O1	REAL300030611999	0	43	-2.0	-106.72	367.65	1.26	-105.46
O=C(NC1CC2(C1)CCCN(C(=O)C1=CN([O-])C(=O)C=C1)C2)C1=CC(=O)[N-]O1	REAL300030612012	0	46	-2.0	-109.46	382.42	2.81	-106.65
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C2CC2)[N-]C1=O	REAL300030612684	1	45	-2.0	-87.02	376.50	1.07	-85.95
O=C(CCCN1C(=O)[N-]NC1=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613450	0	46	-2.0	-93.98	388.31	-1.26	-95.24
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613709	0	44	-2.0	-91.81	376.11	-3.95	-95.76
CC(=O)[N-]C1=NC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300030613710	1	42	-2.0	-83.78	370.35	-0.47	-84.25
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030613900	1	45	-2.0	-95.72	381.86	0.19	-95.53
COC1=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300030614036	1	43	-2.0	-104.93	358.35	-2.07	-107.00
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300030614177	0	38	-2.0	-91.38	331.67	-4.12	-95.50
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030614310	0	40	-2.0	-93.82	345.89	-2.43	-96.25
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=N[N-]C2=CC=CC=C2C1=O	REAL300030615187	0	44	-2.0	-92.86	373.78	3.30	-89.56
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300030615331	0	40	-2.0	-104.03	342.87	2.04	-101.99
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300030615522	0	40	-2.0	-86.16	343.25	-2.86	-89.02
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300030615536	1	36	-2.0	-87.17	315.72	-3.05	-90.22
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C2CCC2)[N-]C1=O	REAL300030615593	1	48	-2.0	-86.92	392.27	1.62	-85.30
O=C([N-][C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300030615672	1	35	-2.0	-90.87	320.26	1.81	-89.06
CCN1[N-]C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030615799	0	43	-2.0	-89.80	364.78	0.59	-89.21
O=C(CC1=CC(=O)N[N-]1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615808	1	40	-2.0	-96.91	340.77	-1.39	-98.30
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=S)N1[O-]	REAL300030615833	0	40	-2.0	-121.60	351.24	4.08	-117.52
O=C(CC1SC(=O)[N-]C1=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030615851	0	40	-2.0	-86.35	354.20	-2.86	-89.21
CN1N=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030615870	0	39	-2.0	-93.11	337.77	-1.84	-94.95
CC1=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C(=O)NC(C2CC2)=N1	REAL300030615989	0	48	-2.0	-88.01	392.28	1.75	-86.26
CC1=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]C(C2CC2)=N1	REAL300030615989	1	48	-2.0	-88.01	392.28	1.75	-86.26
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300030616004	0	38	-2.0	-94.50	317.16	1.03	-93.47
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=C2N=NN([O-])C2=C1	REAL300030616046	0	42	-2.0	-101.35	359.42	0.54	-100.81
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300030616159	0	37	-2.0	-96.16	315.40	-1.11	-97.27
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616164	0	42	-2.0	-85.80	359.01	-0.73	-86.53
O=C(CCC1=NC(=O)NN1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616206	0	42	-2.0	-98.08	356.14	-2.35	-100.43
O=C(CCC1=NC(=O)[N-]N1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616206	1	42	-2.0	-98.08	356.14	-2.35	-100.43
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300030616215	0	40	-2.0	-98.62	340.55	2.20	-96.42
CSC1=NC=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030616236	0	42	-2.0	-86.59	366.78	0.00	-86.59
CSC1=NC=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030616236	1	42	-2.0	-86.59	366.78	0.00	-86.59
CC1SC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030616262	0	39	-2.0	-93.63	346.89	-1.92	-95.55
CC1=C([O-])N=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)S1	REAL300030616262	1	39	-2.0	-93.63	346.89	-1.92	-95.55
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)N1	REAL300030616286	0	39	-2.0	-83.40	350.38	1.25	-82.15
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)[N-]1	REAL300030616286	1	39	-2.0	-83.40	350.38	1.25	-82.15
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300030616313	0	40	-2.0	-106.86	337.33	2.92	-103.94
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300030616380	0	40	-2.0	-118.00	340.12	3.04	-114.96
NC1=NC([O-])=C(CC(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)S1	REAL300030616582	0	41	-2.0	-107.99	361.75	-2.99	-110.98
O=C(CC1=NC([O-])=CS1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030616650	0	39	-2.0	-108.42	346.84	-2.13	-110.55
CCC1=NC=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030616679	0	44	-2.0	-85.70	365.53	0.47	-85.23
CCC1=NC=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030616679	1	44	-2.0	-85.70	365.53	0.47	-85.23
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=C(Cl)C(=O)[N-]S1	REAL300030616781	0	36	-2.0	-97.34	331.70	0.00	-97.34
COCC1=NC=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030616908	1	45	-2.0	-86.65	378.35	-1.28	-87.93
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(CC2CC2)[N-]C1=O	REAL300030616921	1	48	-2.0	-85.77	396.35	2.08	-83.69
CC1=CC(=O)C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030617020	0	41	-2.0	-90.33	348.95	1.74	-88.59
CN1N=CC2=C1[N-]C=C(C(=O)N[C@@H]1C[C@H]3[C@@H]1CCN3C(=O)C1=CC(=O)[N-]O1)C2=O	REAL300030617026	0	45	-2.0	-98.42	371.57	2.88	-95.54
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300030617043	0	36	-2.0	-86.95	315.04	-3.34	-90.29
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030617072	1	41	-2.0	-87.00	357.34	0.98	-86.02
CC1=NC2=NC=C(C(=O)N[C@@H]3C[C@H]4[C@@H]3CCN4C(=O)C3=CC(=O)[N-]O3)C(=O)N2[N-]1	REAL300030617102	0	44	-2.0	-85.06	372.60	3.23	-81.83
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C=N[O-])S1	REAL300030617223	0	39	-2.0	-99.46	355.51	-0.46	-99.92
COC1=NC(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030617244	0	42	-2.0	-90.90	360.95	-4.04	-94.94
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC2=C1C(=O)N=C[N-]2	REAL300030617435	1	44	-2.0	-94.82	360.55	3.37	-91.45
CN1[N-]C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030617488	0	40	-2.0	-97.69	338.19	0.61	-97.08
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300030617499	1	43	-2.0	-105.61	365.94	0.09	-105.52
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617503	0	40	-2.0	-92.03	357.08	-2.20	-94.23
CC1=C(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300030617504	1	42	-2.0	-97.51	370.53	-0.93	-98.44
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300030617739	0	38	-2.0	-89.82	333.36	-5.09	-94.91
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300030617739	1	38	-2.0	-83.81	334.01	-4.32	-88.13
O=C(COC1=NC(=O)[N-]C(=O)N1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617825	0	42	-2.0	-93.66	367.05	-5.90	-99.56
O=C(COC1=NC(=O)NC(=O)[N-]1)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617825	1	42	-2.0	-87.77	367.26	-5.85	-93.62
O=C(CN1[N-]C(=O)C=CC1=O)N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1	REAL300030617986	0	42	-2.0	-94.35	361.90	-1.45	-95.80
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030618244	1	39	-2.0	-100.93	331.56	1.99	-98.94
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030618362	1	45	-2.0	-97.93	384.80	0.35	-97.58
CC(=O)[N-]C1=NC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=CS1	REAL300030618375	1	42	-2.0	-84.12	369.68	0.07	-84.05
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300030618403	0	38	-2.0	-92.40	331.17	-3.82	-96.22
COC1=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)NC(=O)[N-]C1=O	REAL300030618456	1	43	-2.0	-91.59	362.56	-2.52	-94.11
O=C(CN1C(=O)[N-]NC1=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030618628	0	40	-2.0	-95.63	342.34	-1.58	-97.21
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030618680	0	44	-2.0	-95.72	382.62	0.59	-95.13
O=C(CCCN1C(=O)[N-]NC1=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030619612	0	46	-2.0	-93.18	391.28	-1.06	-94.24
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300030619824	1	45	-2.0	-95.16	385.39	0.83	-94.33
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030620655	0	44	-2.0	-90.64	378.95	-3.79	-94.43
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300030620663	0	42	-2.0	-92.81	359.76	2.93	-89.88
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(Cl)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030620679	1	40	-2.0	-97.85	348.74	4.00	-93.85
N#CC1=CC([O-])=CC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=C1	REAL300030620713	1	41	-2.0	-91.13	354.75	1.50	-89.63
NC1=CC=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C([O-])=C1Cl	REAL300030620742	0	42	-2.0	-100.58	366.01	0.56	-100.02
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=CC(=O)[N-]O1	REAL300030620795	0	42	-2.0	-107.80	363.35	3.70	-104.10
CCC1=NC=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C(=O)[N-]1	REAL300030620827	1	44	-2.0	-93.89	374.72	0.24	-93.65
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030620850	1	36	-2.0	-87.48	315.07	-1.97	-89.45
O=C(C[N-]C(=O)C(F)(F)F)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030620953	0	39	-2.0	-87.05	353.23	-2.02	-89.07
NC1=NC([O-])=C(CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)S1	REAL300030620954	0	41	-2.0	-106.45	359.59	-1.91	-108.36
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300030620981	1	40	-2.0	-89.69	344.29	1.33	-88.36
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC([O-])=C2SC=CC2=C1)C1=CC(=O)[N-]O1	REAL300030620988	1	43	-2.0	-104.22	370.79	2.46	-101.76
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300030620991	0	39	-2.0	-87.18	339.74	0.72	-86.46
N#CC1=CC=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C=C1[O-]	REAL300030621003	1	41	-2.0	-89.36	358.26	1.73	-87.63
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(Cl)=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300030621009	0	39	-2.0	-94.64	343.79	2.05	-92.59
N#CC1=CC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=C(N)[N-]C1=O	REAL300030621012	0	42	-2.0	-86.64	371.71	-1.45	-88.09
O=C(CN1N=CC(=O)[N-]C1=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621028	0	41	-2.0	-96.84	359.42	-3.42	-100.26
CC1=CC=C([O-])C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=N1	REAL300030621121	1	42	-2.0	-103.51	348.59	3.51	-100.00
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300030621147	0	38	-2.0	-85.87	333.40	-0.08	-85.95
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300030621158	0	40	-2.0	-100.84	338.25	3.54	-97.30
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300030621284	1	40	-2.0	-99.30	338.49	2.25	-97.05
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=CC(=O)[N-]O1	REAL300030621359	0	42	-2.0	-89.17	359.87	2.92	-86.25
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300030621424	0	37	-2.0	-87.45	319.92	-1.74	-89.19
C[PH](C)([O-])C(=O)C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621431	0	42	-2.0	-94.29	352.86	0.11	-94.18
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030621459	0	45	-2.0	-101.83	387.65	2.94	-98.89
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CN=C(CC2CC2)NC1=O)C1=CC(=O)[N-]O1	REAL300030621480	0	48	-2.0	-93.90	405.64	1.84	-92.06
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CN=C(CC2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300030621480	1	48	-2.0	-93.90	405.64	1.84	-92.06
COCC1=NC=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C(=O)N1	REAL300030621497	0	45	-2.0	-94.42	387.65	-1.52	-95.94
COCC1=NC=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C(=O)[N-]1	REAL300030621497	1	45	-2.0	-94.42	387.65	-1.52	-95.94
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030621551	0	40	-2.0	-101.31	350.01	2.07	-99.24
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=CC(=O)[N-]O1	REAL300030621587	0	40	-2.0	-92.51	356.60	1.44	-91.07
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NNC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030621589	0	36	-2.0	-91.00	314.45	-3.23	-94.23
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300030621601	0	40	-2.0	-108.30	349.49	2.02	-106.28
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(F)=CC=C1O)C1=CC(=O)[N-]O1	REAL300030621822	0	40	-2.0	-99.30	338.43	3.55	-95.75
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030621822	1	40	-2.0	-99.30	338.43	3.55	-95.75
CC1=CC=NC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=C1[O-]	REAL300030621910	1	42	-2.0	-103.10	347.33	3.60	-99.50
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300030621967	0	40	-2.0	-98.87	359.81	2.61	-96.26
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030622083	1	39	-2.0	-88.04	329.05	-0.63	-88.67
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=CC(=S)N1[O-])C1=CC(=O)[N-]O1	REAL300030622096	0	40	-2.0	-111.12	356.14	3.37	-107.75
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CN=C(C2CCC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300030622240	1	48	-2.0	-95.06	401.15	1.37	-93.69
NC1=CC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=CC([O-])=C1Cl	REAL300030622254	1	42	-2.0	-89.69	362.59	-0.42	-90.11
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C([O-])C(Cl)=N1)C1=CC(=O)[N-]O1	REAL300030622258	0	39	-2.0	-84.09	349.72	0.80	-83.29
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C([O-])C=C1Cl)C1=CC(=O)[N-]O1	REAL300030622326	1	40	-2.0	-89.87	352.97	1.79	-88.08
N#CC1=CC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=C([O-])C=C1N	REAL300030622328	0	43	-2.0	-100.55	364.76	1.50	-99.05
O=C(CC1=NC([O-])=CS1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622339	0	39	-2.0	-105.45	349.57	-1.96	-107.41
O=C(CN1[N-]C(=O)C=CC1=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622362	0	42	-2.0	-95.53	365.18	-1.32	-96.85
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300030622365	0	40	-2.0	-101.46	343.95	2.31	-99.15
O=C(CC1SC(=O)[N-]C1=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622489	0	40	-2.0	-85.82	357.36	-2.74	-88.56
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C([O-])C(F)=C1F)C1=CC(=O)[N-]O1	REAL300030622516	0	40	-2.0	-91.00	350.17	1.41	-89.59
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C1=CC(=O)[N-]O1	REAL300030622520	1	41	-2.0	-84.37	366.01	0.01	-84.36
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300030622525	0	40	-2.0	-97.15	348.05	4.03	-93.12
CC1=CC(=O)C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=N[N-]1	REAL300030622558	0	41	-2.0	-92.18	348.36	2.05	-90.13
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622563	0	45	-2.0	-104.52	380.67	1.74	-102.78
CN1N=CC2=C1[N-]C=C(C(=O)N1CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]31)C2=O	REAL300030622567	0	45	-2.0	-89.39	388.18	1.74	-87.65
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300030622593	0	40	-2.0	-110.36	345.03	2.74	-107.62
N#CC1=CC=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C(=O)[N-]1	REAL300030622630	0	40	-2.0	-89.32	359.52	-0.26	-89.58
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622631	0	42	-2.0	-91.94	369.95	-5.68	-97.62
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030622631	1	42	-2.0	-92.73	364.89	-4.69	-97.42
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C1=CC(=O)[N-]O1	REAL300030622660	0	42	-2.0	-85.56	362.61	2.83	-82.73
CN1N=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)[N-]C1=O	REAL300030622701	0	39	-2.0	-94.02	337.25	-1.58	-95.60
[N-]=[N+]=NC1=CC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=CC=C1[O-]	REAL300030622736	0	42	-2.0	-89.24	361.53	-1.05	-90.29
N#CC1=CC=C([O-])C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=C1	REAL300030622779	0	41	-2.0	-94.77	358.23	2.47	-92.30
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CN([O-])C(=O)NC1=O)C1=CC(=O)[N-]O1	REAL300030622904	0	40	-2.0	-90.53	355.09	-0.56	-91.09
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300030622943	0	40	-2.0	-94.63	359.84	2.86	-91.77
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300030622970	1	40	-2.0	-100.90	340.03	1.18	-99.72
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=CC(=O)[N-]O1	REAL300030622979	1	45	-2.0	-109.45	378.35	2.58	-106.87
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=CC(=O)[N-]O1	REAL300030622983	0	42	-2.0	-97.79	365.72	2.76	-95.03
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030622986	0	42	-2.0	-88.78	365.38	2.94	-85.84
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C(Cl)C=C1[O-])C1=CC(=O)[N-]O1	REAL300030622997	1	40	-2.0	-101.28	354.26	2.77	-98.51
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300030623012	0	42	-2.0	-84.48	362.09	1.76	-82.72
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300030623088	0	38	-2.0	-83.71	333.28	-3.44	-87.15
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030623088	1	38	-2.0	-83.71	333.28	-3.44	-87.15
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C2N=NN([O-])C2=C1)C1=CC(=O)[N-]O1	REAL300030623120	0	42	-2.0	-92.10	356.19	0.14	-91.96
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=C(O)C2=CC=CC=C2C=N1)C1=CC(=O)[N-]O1	REAL300030623160	0	45	-2.0	-106.30	376.75	4.30	-102.00
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=CC(=O)[N-]O1	REAL300030623160	1	45	-2.0	-106.30	376.75	4.30	-102.00
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=C(Cl)C(=O)[N-]S1)C1=CC(=O)[N-]O1	REAL300030623161	0	36	-2.0	-88.77	334.88	-0.89	-89.66
NC1=NC=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C(=O)N1	REAL300030623180	0	40	-2.0	-94.30	347.65	-1.42	-95.72
NC1=NC=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C(=O)[N-]1	REAL300030623180	1	40	-2.0	-94.30	347.65	-1.42	-95.72
CC1=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)[N-]C(=O)C(C#N)=C1	REAL300030623214	0	43	-2.0	-83.89	369.17	1.51	-82.38
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=CC(=O)[N-]O1	REAL300030623295	0	40	-2.0	-88.94	356.07	1.75	-87.19
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300030623301	0	41	-2.0	-86.60	364.71	1.03	-85.57
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=CC(=O)[N-]O1	REAL300030623301	1	41	-2.0	-86.60	364.71	1.03	-85.57
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C2N[N-]N=C2C1=O)C1=CC(=O)[N-]O1	REAL300030623309	0	42	-2.0	-91.70	364.34	0.00	-91.70
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=NC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300030623317	0	39	-2.0	-98.64	343.18	3.44	-95.20
O=C(CC1=CC=C(O)C(Cl)=C1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623323	0	43	-2.0	-98.50	380.77	2.87	-95.63
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623323	1	43	-2.0	-98.50	380.77	2.87	-95.63
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300030623377	0	36	-2.0	-90.83	314.98	-1.56	-92.39
CC1SC(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=NC1=O	REAL300030623413	0	39	-2.0	-93.41	346.42	-1.10	-94.51
CC1=C([O-])N=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)S1	REAL300030623413	1	39	-2.0	-93.41	346.42	-1.10	-94.51
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=C(O)C2=CC=CC=C2C=C1)C1=CC(=O)[N-]O1	REAL300030623484	0	46	-2.0	-103.91	377.04	5.82	-98.09
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1=CC(=O)[N-]O1	REAL300030623484	1	46	-2.0	-103.91	377.04	5.82	-98.09
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC2=CC=CC=C2C=C1O)C1=CC(=O)[N-]O1	REAL300030623492	0	46	-2.0	-102.78	378.04	5.75	-97.03
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC2=CC=CC=C2C=C1[O-])C1=CC(=O)[N-]O1	REAL300030623492	1	46	-2.0	-102.78	378.04	5.75	-97.03
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C(=O)C1=CC=C(O)C=C1)C1=CC(=O)[N-]O1	REAL300030623539	0	42	-2.0	-88.93	357.30	1.46	-87.47
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C(=O)C1=CC=C([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030623539	1	42	-2.0	-88.93	357.30	1.46	-87.47
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CN=C(C=N[O-])S1)C1=CC(=O)[N-]O1	REAL300030623570	0	39	-2.0	-99.63	352.74	-0.60	-100.23
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)C=C(Cl)N1)C1=CC(=O)[N-]O1	REAL300030623602	0	39	-2.0	-83.94	349.36	1.81	-82.13
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=CC(=O)[N-]O1	REAL300030623602	1	39	-2.0	-83.94	349.36	1.81	-82.13
CSC1=NC=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C(=O)N1	REAL300030623626	0	42	-2.0	-94.63	376.03	-0.25	-94.88
CSC1=NC=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C(=O)[N-]1	REAL300030623626	1	42	-2.0	-94.63	376.03	-0.25	-94.88
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030623634	0	40	-2.0	-99.13	345.90	-1.93	-101.06
CCN1[N-]C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=CC1=O	REAL300030623714	0	43	-2.0	-90.90	364.43	0.89	-90.01
CN1[N-]C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)=CC1=O	REAL300030623733	0	40	-2.0	-89.97	342.53	-0.02	-89.99
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623749	0	40	-2.0	-90.77	360.09	-2.03	-92.80
O=C(CC1=CC(=O)N[N-]1)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21	REAL300030623905	1	40	-2.0	-96.01	343.80	-1.22	-97.23
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300030623912	1	40	-2.0	-93.64	339.99	1.20	-92.44
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(F)=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300030623967	0	40	-2.0	-91.85	346.40	1.26	-90.59
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC=NC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300030623972	0	39	-2.0	-94.76	343.11	2.06	-92.70
CC1=C(CC(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C(=O)N(C)[N-]1	REAL300030623990	0	46	-2.0	-103.40	380.13	1.89	-101.51
O=C(CCC(=O)N1CC[C@@H]2[C@H](NC(=O)C3=CC(=O)[N-]O3)C[C@@H]21)C1=CC=C([O-])C=C1	REAL300030624000	1	48	-2.0	-91.43	406.14	2.98	-88.45
CC1=CN=C(C(=O)N2CC[C@@H]3[C@H](NC(=O)C4=CC(=O)[N-]O4)C[C@@H]32)C([O-])=C1	REAL300030624039	1	42	-2.0	-102.73	352.87	2.61	-100.12
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300030624074	0	37	-2.0	-98.07	326.37	0.22	-97.85
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300030624096	0	40	-2.0	-101.29	350.27	2.07	-99.22
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(F)=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300030624102	0	40	-2.0	-95.50	353.38	3.81	-91.69
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)NC1=O	REAL300030624149	0	40	-2.0	-87.16	345.80	-0.34	-87.50
O=C(N[C@@H]1C[C@H]2[C@@H]1CCN2C(=O)C1=CC(=O)[N-]O1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030624186	1	41	-2.0	-78.21	356.70	0.28	-77.93
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CN=C(C2CC2)[N-]C1=O	REAL300030624713	1	42	-2.0	-94.33	364.92	0.63	-93.70
O=C(CCCN1C(=O)[N-]NC1=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030625422	0	43	-2.0	-104.56	376.97	-1.76	-106.32
CC(C)CN1[N-]C(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)=CC1=O	REAL300030625578	0	49	-2.0	-110.93	413.83	2.34	-108.59
O=C(CCC1=NNC(=O)[N-]C1=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030625654	0	41	-2.0	-99.99	364.67	-4.47	-104.46
CC(=O)[N-]C1=NC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)=CS1	REAL300030625655	1	39	-2.0	-90.38	359.26	-1.00	-91.38
O=C(CCN1C=C[N-]C(=O)C1=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030625828	1	42	-2.0	-97.05	368.40	-0.44	-97.49
COC1=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)NC(=O)[N-]C1=O	REAL300030625943	1	40	-2.0	-97.68	354.09	-3.29	-100.97
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=NNC(=O)[N-]C1=O	REAL300030626073	0	35	-2.0	-101.20	320.32	-4.62	-105.82
O=C(CN1C(=O)[N-]NC1=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030626187	0	37	-2.0	-106.60	334.45	-2.95	-109.55
O=C(CN1[N-]C=C2C1=NC=NC2=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030626336	0	41	-2.0	-100.19	365.95	-0.19	-100.38
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=N[N-]C2=CC=CC=C2C1=O	REAL300030626959	0	41	-2.0	-97.24	360.10	2.66	-94.58
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CN([O-])C(=O)C=C1	REAL300030627085	0	37	-2.0	-106.91	329.16	1.40	-105.51
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CC(=O)NC([O-])=C1	REAL300030627262	0	37	-2.0	-88.51	329.64	-3.51	-92.02
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=COC(=O)[N-]1	REAL300030627277	1	33	-2.0	-88.58	301.83	-3.67	-92.25
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CN=C(C2CCC2)[N-]C1=O	REAL300030627332	1	45	-2.0	-93.47	380.58	1.19	-92.28
CCN1[N-]C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)=CC1=O	REAL300030627514	0	40	-2.0	-92.98	351.19	-0.02	-93.00
O=C(CC1=CC(=O)N[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627524	1	37	-2.0	-107.50	329.44	-1.90	-109.40
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CC=CC(=S)N1[O-]	REAL300030627547	0	37	-2.0	-137.54	339.97	3.57	-133.97
O=C(CC1SC(=O)[N-]C1=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627563	0	37	-2.0	-91.29	340.79	-3.52	-94.81
CN1N=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)[N-]C1=O	REAL300030627580	0	36	-2.0	-102.05	326.10	-2.34	-104.39
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=C[N-]N=CC1=O	REAL300030627710	0	35	-2.0	-86.80	312.99	-0.38	-87.18
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CC=C2N=NN([O-])C2=C1	REAL300030627751	0	39	-2.0	-104.87	345.95	-0.07	-104.94
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CC(=O)N[N-]1	REAL300030627856	0	34	-2.0	-89.29	306.64	-2.67	-91.96
C[PH](C)([O-])C(=O)C(=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627860	0	39	-2.0	-90.38	339.54	-1.39	-91.77
CN1[N-]C(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)=CC1=O	REAL300030627863	0	40	-2.0	-109.72	352.27	-0.19	-109.91
O=C(CCC1=NC(=O)[N-]N1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030627898	1	39	-2.0	-99.43	342.69	-2.98	-102.41
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CC=CN([O-])C1=O	REAL300030627906	0	37	-2.0	-102.80	329.39	1.67	-101.13
CSC1=NC=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C(=O)[N-]1	REAL300030627930	1	39	-2.0	-92.71	355.14	-0.50	-93.21
CC1=C([O-])N=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)S1	REAL300030627953	1	36	-2.0	-94.55	333.31	-2.58	-97.13
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CC(=O)C=C(Cl)[N-]1	REAL300030627973	1	36	-2.0	-91.72	339.07	0.75	-90.97
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CC(=O)N([O-])C=C1	REAL300030627992	0	37	-2.0	-112.39	331.77	1.52	-110.87
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CC=CC(=O)N1[O-]	REAL300030628055	0	37	-2.0	-133.92	328.86	2.53	-131.39
O=C(C[N-]C(=O)C(F)(F)F)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628240	0	36	-2.0	-95.88	338.90	-2.65	-98.53
NC1=NC([O-])=C(CC(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)S1	REAL300030628241	0	38	-2.0	-113.31	350.08	-3.50	-116.81
O=C(CC1=NC([O-])=CS1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628309	0	36	-2.0	-116.14	335.29	-2.62	-118.76
CCC1=NC=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C(=O)[N-]1	REAL300030628335	1	41	-2.0	-92.73	354.09	-0.02	-92.75
O=C(CN1N=CC(=O)[N-]C1=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030628348	0	38	-2.0	-100.12	342.56	-4.20	-104.32
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=C(Cl)C(=O)[N-]S1	REAL300030628432	0	33	-2.0	-90.13	324.09	-1.39	-91.52
COCC1=NC=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C(=O)N1	REAL300030628544	0	42	-2.0	-93.82	367.02	-1.78	-95.60
COCC1=NC=C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)C(=O)[N-]1	REAL300030628544	1	42	-2.0	-93.82	367.02	-1.78	-95.60
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CN=C(CC2CC2)NC1=O	REAL300030628557	0	45	-2.0	-92.78	385.00	1.57	-91.21
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CN=C(CC2CC2)[N-]C1=O	REAL300030628557	1	45	-2.0	-92.78	385.00	1.57	-91.21
CC1=CC(=O)C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)=N[N-]1	REAL300030628654	0	38	-2.0	-101.44	337.64	1.24	-100.20
CN1N=CC2=C1[N-]C=C(C(=O)N[C@@H]1[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]31)C2=O	REAL300030628658	0	42	-2.0	-90.49	367.67	1.45	-89.04
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=NC(=O)N[N-]1	REAL300030628674	0	33	-2.0	-93.06	303.37	-3.83	-96.89
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300030628693	0	38	-2.0	-92.33	345.92	0.48	-91.85
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030628693	1	38	-2.0	-92.33	345.92	0.48	-91.85
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CN=C(C=N[O-])S1	REAL300030628828	0	36	-2.0	-104.94	344.16	-0.95	-105.89
COC1=NC(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)=CC(=O)[N-]1	REAL300030628848	0	39	-2.0	-99.21	349.49	-4.52	-103.73
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CC=CC2=C1C(=O)N=C[N-]2	REAL300030629026	1	41	-2.0	-109.76	357.22	2.11	-107.65
CN1[N-]C(C(=O)N[C@@H]2[C@H]3CCN(C(=O)C4=CC(=O)[N-]O4)[C@H]32)=CC1=O	REAL300030629072	0	37	-2.0	-92.23	329.46	-0.96	-93.19
O=C(CSC1=NNC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629083	0	37	-2.0	-94.34	343.75	-2.82	-97.16
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=NC(=O)[N-]C(=O)N1	REAL300030629303	0	35	-2.0	-90.40	319.88	-5.71	-96.11
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=NC(=O)NC(=O)[N-]1	REAL300030629303	1	35	-2.0	-90.86	322.91	-4.87	-95.73
O=C(COC1=NC(=O)[N-]C(=O)N1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629385	0	39	-2.0	-95.40	353.66	-6.52	-101.92
O=C(COC1=NC(=O)NC(=O)[N-]1)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629385	1	39	-2.0	-90.42	353.60	-6.47	-96.89
O=C(CN1[N-]C(=O)C=CC1=O)N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21	REAL300030629537	0	39	-2.0	-99.94	348.51	-2.09	-102.03
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NC=CC=C3[O-])[C@H]21)C1=CC(=O)[N-]O1	REAL300030629781	1	36	-2.0	-104.96	322.24	1.25	-103.71
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030629902	1	42	-2.0	-99.14	371.35	-0.34	-99.48
CC(=O)[N-]C1=NC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=CS1	REAL300030629915	1	39	-2.0	-85.56	356.36	-0.51	-86.07
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NNC(=O)[N-]C3=O)[C@H]21)C1=CC(=O)[N-]O1	REAL300030629947	0	35	-2.0	-95.41	317.78	-4.44	-99.85
COC1=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)NC(=O)[N-]C1=O	REAL300030630007	1	40	-2.0	-92.81	353.15	-3.30	-96.11
O=C(CN1C(=O)[N-]NC1=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030630189	0	37	-2.0	-101.93	337.62	-2.84	-104.77
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030630244	0	41	-2.0	-103.72	371.31	0.05	-103.67
O=C(CCCN1C(=O)[N-]NC1=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030631244	0	43	-2.0	-100.14	380.18	-1.62	-101.76
CC(C)CN1[N-]C(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=CC1=O	REAL300030631419	0	49	-2.0	-101.34	415.04	2.37	-98.97
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)[C@H]21)C1=CC(=O)[N-]O1	REAL300030631475	1	42	-2.0	-97.74	372.63	0.17	-97.57
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030632398	0	41	-2.0	-96.75	367.88	-4.35	-101.10
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C([O-])C([N+](=O)[O-])=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030632406	0	39	-2.0	-103.65	349.72	2.41	-101.24
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(Cl)=CC=C3[O-])[C@H]21)C1=CC(=O)[N-]O1	REAL300030632425	1	37	-2.0	-100.39	340.64	2.30	-98.09
N#CC1=CC([O-])=CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=C1	REAL300030632463	1	38	-2.0	-99.64	347.57	1.08	-98.56
NC1=CC=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C([O-])=C1Cl	REAL300030632493	0	39	-2.0	-118.38	354.63	0.42	-117.96
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=CC([N+](=O)[O-])=C3[O-])[C@H]21)C1=CC(=O)[N-]O1	REAL300030632549	0	39	-2.0	-108.28	349.91	3.20	-105.08
CCC1=NC=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C(=O)[N-]1	REAL300030632583	1	41	-2.0	-111.28	364.23	-0.28	-111.56
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=COC(=O)[N-]3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030632609	1	33	-2.0	-88.44	301.55	-2.41	-90.85
O=C(C[N-]C(=O)C(F)(F)F)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030632718	0	36	-2.0	-95.75	342.29	-2.52	-98.27
NC1=NC([O-])=C(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)S1	REAL300030632719	0	38	-2.0	-111.69	353.75	-3.39	-115.08
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C([O-])C=C3F)[C@H]21)C1=CC(=O)[N-]O1	REAL300030632757	1	37	-2.0	-93.38	330.53	0.63	-92.75
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC([O-])=C4SC=CC4=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030632765	1	40	-2.0	-96.74	360.48	1.90	-94.84
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC([O-])=CC(=O)O3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030632768	0	36	-2.0	-93.02	329.11	0.17	-92.85
N#CC1=CC=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C=C1[O-]	REAL300030632781	1	38	-2.0	-108.61	343.92	1.03	-107.58
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(Cl)=NC=C3[O-])[C@H]21)C1=CC(=O)[N-]O1	REAL300030632787	0	36	-2.0	-95.80	335.80	0.35	-95.45
N#CC1=CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=C(N)[N-]C1=O	REAL300030632791	0	39	-2.0	-91.44	360.07	-2.10	-93.54
O=C(CN1N=CC(=O)[N-]C1=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030632807	0	38	-2.0	-104.08	347.89	-3.97	-108.05
CC1=CC=C([O-])C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=N1	REAL300030632910	1	39	-2.0	-102.59	339.75	1.94	-100.65
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=C[N-]N=CC3=O)[C@H]21)C1=CC(=O)[N-]O1	REAL300030632939	0	35	-2.0	-87.47	314.61	-0.88	-88.35
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=CC(F)=C3[O-])[C@H]21)C1=CC(=O)[N-]O1	REAL300030632951	0	37	-2.0	-121.45	332.17	2.14	-119.31
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=CC([O-])=C3F)[C@H]21)C1=CC(=O)[N-]O1	REAL300030633088	1	37	-2.0	-114.85	332.41	0.79	-114.06
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C([N+](=O)[O-])C([O-])=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030633168	0	39	-2.0	-112.69	349.85	2.36	-110.33
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)N[N-]3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030633238	0	34	-2.0	-89.91	306.41	-2.32	-92.23
C[PH](C)([O-])C(=O)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633245	0	39	-2.0	-97.33	347.73	-1.05	-98.38
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030633277	0	42	-2.0	-107.95	376.64	2.42	-105.53
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CN=C(CC4CC4)NC3=O)[C@H]21)C1=CC(=O)[N-]O1	REAL300030633299	0	45	-2.0	-111.68	395.15	1.32	-110.36
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CN=C(CC4CC4)[N-]C3=O)[C@H]21)C1=CC(=O)[N-]O1	REAL300030633299	1	45	-2.0	-111.68	395.15	1.32	-110.36
COCC1=NC=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C(=O)N1	REAL300030633317	0	42	-2.0	-111.30	377.16	-2.04	-113.34
COCC1=NC=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C(=O)[N-]1	REAL300030633317	1	42	-2.0	-111.30	377.16	-2.04	-113.34
CC1=CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=CC([N+](=O)[O-])=C1[O-]	REAL300030633326	0	42	-2.0	-92.86	370.55	3.10	-89.76
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)N([O-])C=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030633377	0	37	-2.0	-116.79	329.82	1.11	-115.68
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(F)=C(F)C([O-])=C3F)[C@H]21)C1=CC(=O)[N-]O1	REAL300030633416	0	37	-2.0	-106.29	340.65	0.76	-105.53
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NC(=O)N[N-]3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030633418	0	33	-2.0	-92.38	303.25	-2.93	-95.31
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=CN([O-])C3=O)[C@H]21)C1=CC(=O)[N-]O1	REAL300030633431	0	37	-2.0	-111.79	339.47	1.53	-110.26
N#CC1=CN(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C(=O)[N-]C1=O	REAL300030633604	0	40	-2.0	-112.98	372.84	-1.69	-114.67
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(F)=CC=C3O)[C@H]21)C1=CC(=O)[N-]O1	REAL300030633675	0	37	-2.0	-99.74	330.32	1.85	-97.89
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(F)=CC=C3[O-])[C@H]21)C1=CC(=O)[N-]O1	REAL300030633675	1	37	-2.0	-99.74	330.32	1.85	-97.89
CC1=CC=NC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=C1O	REAL300030633775	0	39	-2.0	-102.12	338.63	2.03	-100.09
CC1=CC=NC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=C1[O-]	REAL300030633775	1	39	-2.0	-102.12	338.63	2.03	-100.09
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C(Cl)C(F)=C3[O-])[C@H]21)C1=CC(=O)[N-]O1	REAL300030633834	0	37	-2.0	-116.81	348.44	2.49	-114.32
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CN=CC([O-])=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030633957	1	36	-2.0	-106.09	318.85	-1.27	-107.36
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=CC(=S)N3[O-])[C@H]21)C1=CC(=O)[N-]O1	REAL300030633971	0	37	-2.0	-112.06	347.53	1.77	-110.29
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CN=C(C4CCC4)[N-]C3=O)[C@H]21)C1=CC(=O)[N-]O1	REAL300030634131	1	45	-2.0	-97.73	388.39	0.70	-97.03
NC1=CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=CC([O-])=C1Cl	REAL300030634146	1	39	-2.0	-110.67	352.57	-0.95	-111.62
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C([O-])C(Cl)=N3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030634150	0	36	-2.0	-100.61	340.54	0.08	-100.53
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634217	0	41	-2.0	-94.11	363.51	0.66	-93.45
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C([O-])C=C3Cl)[C@H]21)C1=CC(=O)[N-]O1	REAL300030634224	1	37	-2.0	-92.91	339.23	1.06	-91.85
N#CC1=CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=C([O-])C=C1N	REAL300030634226	0	40	-2.0	-109.22	359.86	0.20	-109.02
O=C(CC1=NC([O-])=CS1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634238	0	36	-2.0	-107.05	336.25	-2.63	-109.68
O=C(CN1[N-]C(=O)C=CC1=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634264	0	39	-2.0	-104.09	354.21	-1.88	-105.97
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C(F)C=C3[O-])[C@H]21)C1=CC(=O)[N-]O1	REAL300030634269	0	37	-2.0	-96.91	330.30	1.81	-95.10
O=C(CC1SC(=O)[N-]C1=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634408	0	37	-2.0	-86.64	343.64	-3.40	-90.04
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C([O-])C(F)=C3F)[C@H]21)C1=CC(=O)[N-]O1	REAL300030634436	0	37	-2.0	-101.65	338.79	0.87	-100.78
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC([N+](=O)[O-])=C[N-]C3=O)[C@H]21)C1=CC(=O)[N-]O1	REAL300030634440	1	38	-2.0	-99.84	355.76	-0.51	-100.35
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=CC(Cl)=C3[O-])[C@H]21)C1=CC(=O)[N-]O1	REAL300030634446	0	37	-2.0	-115.44	341.98	2.59	-112.85
CC1=CC(=O)C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=N[N-]1	REAL300030634485	0	38	-2.0	-101.57	337.20	1.59	-99.98
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634489	0	42	-2.0	-118.30	369.58	1.21	-117.09
CN1N=CC2=C1[N-]C=C(C(=O)N1CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]31)C2=O	REAL300030634493	0	42	-2.0	-91.33	369.78	0.94	-90.39
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=CC(=O)N3[O-])[C@H]21)C1=CC(=O)[N-]O1	REAL300030634521	0	37	-2.0	-110.28	336.43	1.13	-109.15
N#CC1=CC=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C(=O)[N-]1	REAL300030634559	0	37	-2.0	-104.10	348.55	-0.78	-104.88
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634560	0	39	-2.0	-97.93	358.88	-6.22	-104.15
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030634560	1	39	-2.0	-94.62	358.82	-6.16	-100.78
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC([O-])=CC=C3[N+](=O)[O-])[C@H]21)C1=CC(=O)[N-]O1	REAL300030634589	0	39	-2.0	-94.30	354.77	2.36	-91.94
CN1N=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)[N-]C1=O	REAL300030634633	0	36	-2.0	-97.00	323.76	-2.15	-99.15
[N-]=[N+]=NC1=CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=CC=C1[O-]	REAL300030634671	0	39	-2.0	-96.15	354.45	-1.46	-97.61
N#CC1=CC=C([O-])C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=C1	REAL300030634716	0	38	-2.0	-103.53	342.48	2.62	-100.91
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CN([O-])C(=O)NC3=O)[C@H]21)C1=CC(=O)[N-]O1	REAL300030634856	0	37	-2.0	-96.84	343.15	-1.16	-98.00
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(Cl)=C(F)C=C3[O-])[C@H]21)C1=CC(=O)[N-]O1	REAL300030634897	0	37	-2.0	-107.34	348.63	2.49	-104.85
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C(F)C([O-])=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030634926	1	37	-2.0	-113.31	330.07	0.61	-112.70
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=C([O-])C4=NC=CC=C4C=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030634935	1	42	-2.0	-128.24	366.74	2.46	-125.78
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C([N+](=O)[O-])C=C3[O-])[C@H]21)C1=CC(=O)[N-]O1	REAL300030634939	0	39	-2.0	-110.89	354.10	2.74	-108.15
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC([N+](=O)[O-])=CC=C3[O-])[C@H]21)C1=CC(=O)[N-]O1	REAL300030634943	0	39	-2.0	-101.96	354.24	2.60	-99.36
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C(Cl)C=C3[O-])[C@H]21)C1=CC(=O)[N-]O1	REAL300030634954	1	37	-2.0	-97.05	340.62	2.24	-94.81
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC([O-])=CC([N+](=O)[O-])=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030634978	0	39	-2.0	-104.72	352.09	1.21	-103.51
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NC(=O)[N-]C(=O)N3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635067	0	35	-2.0	-90.52	319.85	-4.04	-94.56
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NC(=O)NC(=O)[N-]3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635067	1	35	-2.0	-90.52	319.85	-4.04	-94.56
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C4N=NN([O-])C4=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635107	0	39	-2.0	-106.66	346.67	-0.41	-107.07
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=C(O)C4=CC=CC=C4C=N3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635149	0	42	-2.0	-109.24	367.46	3.59	-105.65
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635149	1	42	-2.0	-109.24	367.46	3.59	-105.65
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=C(Cl)C(=O)[N-]S3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635150	0	33	-2.0	-94.03	321.96	-1.69	-95.72
NC1=NC=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C(=O)N1	REAL300030635170	0	37	-2.0	-111.30	337.59	-1.93	-113.23
NC1=NC=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C(=O)[N-]1	REAL300030635170	1	37	-2.0	-111.30	337.59	-1.93	-113.23
CC1=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)[N-]C(=O)C(C#N)=C1	REAL300030635210	0	40	-2.0	-85.76	358.07	1.11	-84.65
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635299	0	37	-2.0	-89.11	346.75	1.19	-87.92
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CNC(=O)C([N+](=O)[O-])=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635305	0	38	-2.0	-107.77	341.25	-0.03	-107.80
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=C[N-]C(=O)C([N+](=O)[O-])=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635305	1	38	-2.0	-107.77	341.25	-0.03	-107.80
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C4N[N-]N=C4C3=O)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635314	0	39	-2.0	-97.34	354.13	-0.53	-97.87
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=NC=CC(Cl)=C3[O-])[C@H]21)C1=CC(=O)[N-]O1	REAL300030635322	0	36	-2.0	-98.12	334.51	1.86	-96.26
O=C(CC1=CC=C(O)C(Cl)=C1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635329	0	40	-2.0	-100.39	367.62	2.23	-98.16
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635329	1	40	-2.0	-100.39	367.62	2.23	-98.16
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635389	0	33	-2.0	-92.70	301.26	-2.20	-94.90
CC1SC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=NC1=O	REAL300030635430	0	36	-2.0	-94.01	333.26	-1.64	-95.65
CC1=C([O-])N=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)S1	REAL300030635430	1	36	-2.0	-94.01	333.26	-1.64	-95.65
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=C(O)C4=CC=CC=C4C=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635502	0	43	-2.0	-121.75	371.12	4.28	-117.47
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=C([O-])C4=CC=CC=C4C=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635502	1	43	-2.0	-121.75	371.12	4.28	-117.47
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC4=CC=CC=C4C=C3O)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635511	0	43	-2.0	-103.31	369.97	4.15	-99.16
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC4=CC=CC=C4C=C3[O-])[C@H]21)C1=CC(=O)[N-]O1	REAL300030635511	1	43	-2.0	-103.31	369.97	4.15	-99.16
O=C(N[C@@H]1[C@H]2CCN(C(=O)C(=O)C3=CC=C(O)C=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635560	0	39	-2.0	-96.63	346.31	0.96	-95.67
O=C(N[C@@H]1[C@H]2CCN(C(=O)C(=O)C3=CC=C([O-])C=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635560	1	39	-2.0	-96.63	346.31	0.96	-95.67
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CN=C(C=N[O-])S3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635592	0	36	-2.0	-104.77	340.03	-1.44	-106.21
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)C=C(Cl)N3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635624	0	36	-2.0	-88.21	336.16	1.18	-87.03
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635624	1	36	-2.0	-88.21	336.16	1.18	-87.03
CSC1=NC=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C(=O)N1	REAL300030635653	0	39	-2.0	-112.92	365.54	-0.76	-113.68
CSC1=NC=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C(=O)[N-]1	REAL300030635653	1	39	-2.0	-112.92	365.54	-0.76	-113.68
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)NC([O-])=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635662	0	37	-2.0	-91.85	337.39	-3.50	-95.35
CCN1[N-]C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=CC1=O	REAL300030635751	0	40	-2.0	-93.72	350.84	0.31	-93.41
O=C(CNC(=O)C1=NC=CC=C1O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635762	0	43	-2.0	-104.66	383.23	-0.51	-105.17
O=C(CNC(=O)C1=NC=CC=C1[O-])N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635762	1	43	-2.0	-104.66	383.23	-0.51	-105.17
CN1[N-]C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)=CC1=O	REAL300030635772	0	37	-2.0	-98.37	331.62	-0.52	-98.89
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635787	0	37	-2.0	-97.76	348.89	-2.57	-100.33
O=C(CC1=CC(=O)N[N-]1)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21	REAL300030635953	1	37	-2.0	-97.96	330.66	-1.88	-99.84
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=C([O-])C(F)=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030635960	1	37	-2.0	-110.45	329.97	0.65	-109.80
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(F)=C([O-])C(F)=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030636021	0	37	-2.0	-97.38	339.10	0.86	-96.52
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC=NC(Cl)=C3[O-])[C@H]21)C1=CC(=O)[N-]O1	REAL300030636026	0	36	-2.0	-99.87	335.11	0.38	-99.49
CC1=C(CC(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C(=O)N(C)[N-]1	REAL300030636047	0	43	-2.0	-108.44	375.42	0.63	-107.81
O=C(CCC(=O)N1CC[C@@H]2[C@@H](NC(=O)C3=CC(=O)[N-]O3)[C@@H]21)C1=CC=C([O-])C=C1	REAL300030636056	1	45	-2.0	-92.62	392.91	2.30	-90.32
CC1=CN=C(C(=O)N2CC[C@@H]3[C@@H](NC(=O)C4=CC(=O)[N-]O4)[C@@H]32)C([O-])=C1	REAL300030636097	1	39	-2.0	-106.19	343.69	1.86	-104.33
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC([O-])=CS3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030636135	0	34	-2.0	-110.35	316.73	-0.41	-110.76
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CN([O-])C(=O)C=C3)[C@H]21)C1=CC(=O)[N-]O1	REAL300030636159	0	37	-2.0	-114.22	329.66	1.08	-113.14
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(F)=CC(Cl)=C3[O-])[C@H]21)C1=CC(=O)[N-]O1	REAL300030636167	0	37	-2.0	-107.04	348.49	2.55	-104.49
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CN([O-])C(=O)NC1=O	REAL300030636209	0	37	-2.0	-93.79	334.36	-0.85	-94.64
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3=CC(=O)[N-]O3)[C@H]21)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030636242	1	38	-2.0	-81.10	343.10	-0.35	-81.45
CN1N=C(CNC(=O)C2=COC(=O)[N-]2)C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030636873	1	42	-2.0	-97.58	370.50	-3.30	-100.88
CN1N=C(CNC(=O)C2=C[N-]N=CC2=O)C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030636949	0	44	-2.0	-93.73	379.15	-0.23	-93.96
CN1N=C(CNC(=O)C2=CC(=O)N[N-]2)C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030636974	0	43	-2.0	-99.00	375.32	-2.31	-101.31
CN1N=C(CNC(=O)C2=NC(=O)N[N-]2)C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030637073	0	42	-2.0	-97.68	369.91	-3.59	-101.27
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)C1=NC=CC=C1[O-])C2	REAL300030637374	1	45	-2.0	-101.16	387.23	1.75	-99.41
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)C1=COC(=O)[N-]1)C2	REAL300030637672	1	42	-2.0	-99.47	370.27	-1.87	-101.34
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300030637713	0	44	-2.0	-93.42	388.71	-0.43	-93.85
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300030637749	0	43	-2.0	-94.00	375.11	-1.92	-95.92
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)C1=NNC(=O)[N-]1)C2	REAL300030637767	0	42	-2.0	-97.11	369.82	-3.42	-100.53
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)C1=CN=CC([O-])=C1)C2	REAL300030637831	1	45	-2.0	-110.61	388.42	-0.94	-111.55
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)C1=CC=NC=C1[O-])C2	REAL300030637969	0	45	-2.0	-105.41	388.34	-0.67	-106.08
CN1N=C(CNC(=O)C2=CC(=O)[N-]O2)C2=C1CCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030637971	0	42	-2.0	-100.52	370.07	-1.83	-102.35
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300030638938	0	42	-2.0	-102.57	354.27	-2.89	-105.46
O=C(CN1C(=O)[N-]NC1=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030638996	0	44	-2.0	-106.91	367.35	-1.07	-107.98
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300030639395	0	44	-2.0	-113.97	364.22	3.40	-110.57
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300030639472	0	44	-2.0	-93.36	365.24	-1.54	-94.90
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300030639483	1	40	-2.0	-90.58	337.13	-1.68	-92.26
CCN1[N-]C(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030639598	0	47	-2.0	-98.66	386.98	1.96	-96.70
O=C(CC1=CC(=O)N[N-]1)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639604	1	44	-2.0	-110.13	362.49	-0.04	-110.17
CN1N=C(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030639629	0	43	-2.0	-101.61	359.15	-0.48	-102.09
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300030639688	0	42	-2.0	-84.97	346.40	1.46	-83.51
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300030639755	0	41	-2.0	-94.60	342.44	-0.69	-95.29
C[PH](C)([O-])C(=O)C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639759	0	46	-2.0	-97.11	380.32	0.60	-96.51
O=C(CCC1=NC(=O)NN1)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639782	0	46	-2.0	-102.76	377.46	-1.00	-103.76
O=C(CCC1=NC(=O)[N-]N1)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639782	1	46	-2.0	-102.76	377.46	-1.00	-103.76
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300030639785	0	44	-2.0	-99.21	362.29	3.54	-95.67
CC1SC(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030639806	0	43	-2.0	-96.06	369.30	-0.58	-96.64
CC1=C([O-])N=C(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)S1	REAL300030639806	1	43	-2.0	-96.06	369.30	-0.58	-96.64
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300030639826	0	44	-2.0	-113.72	365.32	3.36	-110.36
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300030639849	0	44	-2.0	-135.58	361.52	4.26	-131.32
O=C(CC1=NC([O-])=CS1)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1	REAL300030639964	0	43	-2.0	-122.57	368.33	-0.76	-123.33
CCC1=NC=C(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030639976	1	48	-2.0	-90.30	387.19	1.83	-88.47
CC1=CC(=O)C(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030640125	0	45	-2.0	-100.77	370.31	2.99	-97.78
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]1	REAL300030640134	0	40	-2.0	-98.31	336.39	-2.14	-100.45
CN1[N-]C(C(=O)N[C@]23C[C@H]2[C@@H]2CC[C@H](C3)N2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030640320	0	44	-2.0	-97.08	364.61	1.02	-96.06
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300030640424	0	42	-2.0	-90.23	355.91	-3.00	-93.23
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300030640424	1	42	-2.0	-90.23	355.91	-3.00	-93.23
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=NC=CC=C1O)C1=CC(=O)[N-]O1	REAL300030640771	0	43	-2.0	-102.54	353.95	3.36	-99.18
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030640771	1	43	-2.0	-102.54	353.95	3.36	-99.18
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300030640881	0	42	-2.0	-94.58	353.53	-2.43	-97.01
O=C(CN1C(=O)[N-]NC1=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030641003	0	44	-2.0	-93.63	370.45	-0.98	-94.61
N#CC1=CC([O-])=CC(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030642061	1	45	-2.0	-94.23	377.20	2.82	-91.41
CCC1=NC=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030642125	1	48	-2.0	-105.80	396.46	1.53	-104.27
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030642141	1	40	-2.0	-95.90	337.23	-0.47	-96.37
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300030642214	1	44	-2.0	-92.48	359.94	2.54	-89.94
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300030642219	0	43	-2.0	-94.86	362.50	2.06	-92.80
N#CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C=C1[O-]	REAL300030642222	1	45	-2.0	-97.49	375.89	2.89	-94.60
CC1=CC=C([O-])C(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300030642288	1	46	-2.0	-103.09	375.21	3.96	-99.13
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300030642300	0	42	-2.0	-94.28	354.35	1.18	-93.10
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300030642308	0	44	-2.0	-101.63	361.86	3.76	-97.87
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300030642383	1	44	-2.0	-98.89	361.83	2.55	-96.34
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300030642465	0	41	-2.0	-92.25	341.62	-0.34	-92.59
C[PH](C)([O-])C(=O)C(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642471	0	46	-2.0	-90.50	381.08	0.80	-89.70
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030642543	0	44	-2.0	-102.43	371.77	3.35	-99.08
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300030642560	0	40	-2.0	-95.42	336.90	-1.09	-96.51
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300030642565	0	44	-2.0	-122.83	371.37	3.29	-119.54
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(F)=CC=C1O)C1=CC(=O)[N-]O1	REAL300030642694	0	44	-2.0	-97.03	359.74	3.96	-93.07
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030642694	1	44	-2.0	-97.03	359.74	3.96	-93.07
CC1=CC=NC(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)=C1O	REAL300030642747	0	46	-2.0	-102.27	373.85	4.03	-98.24
CC1=CC=NC(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)=C1[O-]	REAL300030642747	1	46	-2.0	-102.27	373.85	4.03	-98.24
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CN=CC(O)=C1)C1=CC(=O)[N-]O1	REAL300030642825	0	43	-2.0	-93.52	352.49	0.61	-92.91
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030642825	1	43	-2.0	-93.52	352.49	0.61	-92.91
O=C(CC1=NC([O-])=CS1)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030642948	0	43	-2.0	-107.54	371.72	-0.65	-108.19
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=C([O-])C=CC=C1F)C1=CC(=O)[N-]O1	REAL300030642961	0	44	-2.0	-104.24	371.11	2.97	-101.27
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300030642962	0	44	-2.0	-97.07	359.72	4.03	-93.04
CC1=CC(=O)C(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300030643082	0	45	-2.0	-96.54	370.84	3.40	-93.14
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300030643101	0	44	-2.0	-110.12	356.91	2.96	-107.16
N#CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030643122	0	44	-2.0	-100.65	381.15	1.07	-99.58
CN1N=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300030643155	0	43	-2.0	-98.56	359.52	-0.18	-98.74
N#CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300030643193	0	45	-2.0	-94.25	374.08	4.37	-89.88
N#CC1=CC=C([O-])C(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030643200	0	45	-2.0	-96.29	376.92	4.09	-92.20
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300030643311	1	44	-2.0	-96.53	361.96	2.50	-94.03
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300030643378	0	42	-2.0	-90.69	355.83	-2.03	-92.72
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030643378	1	42	-2.0	-90.69	355.83	-2.03	-92.72
NC1=NC=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300030643419	0	44	-2.0	-105.97	369.82	-0.13	-106.10
NC1=NC=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030643419	1	44	-2.0	-105.97	369.82	-0.13	-106.10
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300030643527	0	40	-2.0	-97.23	337.02	-0.21	-97.44
CC1SC(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300030643544	0	43	-2.0	-103.90	368.76	0.32	-103.58
CC1=C([O-])N=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030643544	1	43	-2.0	-103.90	368.76	0.32	-103.58
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C(=O)C1=CC=C(O)C=C1)C1=CC(=O)[N-]O1	REAL300030643624	0	46	-2.0	-91.50	379.37	2.81	-88.69
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C(=O)C1=CC=C([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030643624	1	46	-2.0	-91.50	379.37	2.81	-88.69
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030643669	0	44	-2.0	-91.55	371.43	-1.59	-93.14
CCN1[N-]C(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030643718	0	47	-2.0	-95.26	385.97	2.32	-92.94
CN1[N-]C(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030643734	0	44	-2.0	-94.74	364.10	1.38	-93.36
O=C(CC1=CC(=O)NN1)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643839	0	44	-2.0	-95.77	366.28	0.06	-95.71
O=C(CC1=CC(=O)N[N-]1)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)C1=CC(=O)[N-]O1)C2	REAL300030643839	1	44	-2.0	-95.77	366.28	0.06	-95.71
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC=C(O)C(F)=C1)C1=CC(=O)[N-]O1	REAL300030643843	0	44	-2.0	-95.77	361.91	2.55	-93.22
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300030643843	1	44	-2.0	-95.77	361.91	2.55	-93.22
CC1=CN=C(C(=O)N2[C@@H]3CC[C@H]2[C@@H]2C[C@]2(NC(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300030643919	1	46	-2.0	-103.75	374.98	3.98	-99.77
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300030643934	0	41	-2.0	-99.65	347.17	1.31	-98.34
O=C(N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300030643948	0	44	-2.0	-102.44	372.11	3.31	-99.13
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=C(C2CC2)[N-]C1=O	REAL300030644415	1	48	-2.0	-94.59	388.78	1.59	-93.00
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=NNC(=O)[N-]C1=O	REAL300030645219	0	41	-2.0	-99.95	349.34	-3.53	-103.48
O=C(CN1C(=O)[N-]NC1=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030645301	0	43	-2.0	-96.28	365.06	-1.60	-97.88
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN([O-])C(=O)C=C1	REAL300030645893	0	43	-2.0	-109.27	355.21	2.55	-106.72
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)NC([O-])=C1	REAL300030646003	0	43	-2.0	-91.18	355.68	-2.36	-93.54
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=COC(=O)[N-]1	REAL300030646014	1	39	-2.0	-97.77	332.05	-2.27	-100.04
CCN1[N-]C(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030646181	0	46	-2.0	-97.01	377.11	1.12	-95.89
O=C(CC1=CC(=O)N[N-]1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646188	1	43	-2.0	-98.77	360.09	-0.55	-99.32
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC(=S)N1[O-]	REAL300030646204	0	43	-2.0	-125.02	369.24	4.64	-120.38
O=C(CC1SC(=O)[N-]C1=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646214	0	43	-2.0	-96.22	370.71	-2.12	-98.34
CN1N=C(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300030646228	0	42	-2.0	-102.31	354.16	-1.07	-103.38
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=C[N-]N=CC1=O	REAL300030646315	0	41	-2.0	-91.28	341.10	0.88	-90.40
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=C2N=NN([O-])C2=C1	REAL300030646348	0	45	-2.0	-107.43	371.77	1.06	-106.37
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N[N-]1	REAL300030646420	0	40	-2.0	-93.01	332.56	-1.52	-94.53
C[PH](C)([O-])C(=O)C(=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646424	0	45	-2.0	-96.01	376.00	0.01	-96.00
O=C(CCC1=NC(=O)NN1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646453	0	45	-2.0	-103.94	375.32	-1.51	-105.45
O=C(CCC1=NC(=O)[N-]N1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646453	1	45	-2.0	-103.94	375.32	-1.51	-105.45
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CN([O-])C1=O	REAL300030646457	0	43	-2.0	-103.45	352.80	2.72	-100.73
CC1SC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)=NC1=O	REAL300030646487	0	42	-2.0	-104.56	363.68	-1.16	-105.72
CC1=C([O-])N=C(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030646487	1	42	-2.0	-104.56	363.68	-1.16	-105.72
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)C=C(Cl)N1	REAL300030646499	0	42	-2.0	-92.76	367.06	2.02	-90.74
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)C=C(Cl)[N-]1	REAL300030646499	1	42	-2.0	-92.76	367.06	2.02	-90.74
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N([O-])C=C1	REAL300030646514	0	43	-2.0	-105.57	362.40	2.88	-102.69
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC(=O)N1[O-]	REAL300030646552	0	43	-2.0	-123.36	358.12	3.61	-119.75
NC1=NC([O-])=C(CC(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030646670	0	44	-2.0	-108.38	378.21	-2.23	-110.61
O=C(CC1=NC([O-])=CS1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030646714	0	42	-2.0	-115.50	366.19	-1.03	-116.53
CCC1=NC=C(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N1	REAL300030646731	0	47	-2.0	-93.23	377.70	1.00	-92.23
CCC1=NC=C(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300030646731	1	47	-2.0	-93.23	377.70	1.00	-92.23
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=C(Cl)C(=O)[N-]S1	REAL300030646799	0	39	-2.0	-96.30	355.34	-0.00	-96.30
CC1=CC(=O)C(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300030646947	0	44	-2.0	-102.55	366.53	2.34	-100.21
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)N[N-]1	REAL300030646961	0	39	-2.0	-101.89	334.35	-2.17	-104.06
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=C(C=N[O-])S1	REAL300030647069	0	42	-2.0	-103.93	372.28	0.32	-103.61
COC1=NC(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)=CC(=O)[N-]1	REAL300030647084	0	45	-2.0	-100.24	378.50	-3.27	-103.51
CN1[N-]C(C(=O)NC2(C3CCCN3C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030647241	0	43	-2.0	-95.96	355.30	0.18	-95.78
O=C(CSC1=NNC(=O)[N-]1)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647248	0	43	-2.0	-97.15	373.87	-1.45	-98.60
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)[N-]C(=O)N1	REAL300030647396	0	41	-2.0	-98.23	350.03	-4.33	-102.56
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)NC(=O)[N-]1	REAL300030647396	1	41	-2.0	-94.31	351.56	-3.59	-97.90
O=C(CN1[N-]C(=O)C=CC1=O)NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030647540	0	45	-2.0	-97.53	381.17	-0.62	-98.15
O=C(NC1(C2CCCN2C(=O)C2=NC=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030647793	1	42	-2.0	-111.86	351.34	3.07	-108.79
O=C(NC1(C2CCCN2C(=O)C2=NNC(=O)[N-]C2=O)CC1)C1=CC(=O)[N-]O1	REAL300030647917	0	41	-2.0	-103.74	350.92	-2.73	-106.47
O=C(CN1C(=O)[N-]NC1=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030648082	0	43	-2.0	-101.78	365.81	-1.57	-103.35
O=C(NC1(C2CCCN2C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1)C1=CC(=O)[N-]O1	REAL300030648900	1	48	-2.0	-100.03	388.54	0.87	-99.16
O=C(NC1(C2CCCN2C(=O)C2=CC(Cl)=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030649462	1	43	-2.0	-103.60	345.30	4.00	-99.60
N#CC1=CC([O-])=CC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030649487	1	44	-2.0	-92.65	373.26	2.29	-90.36
CCC1=NC=C(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300030649566	1	47	-2.0	-99.07	377.48	0.28	-98.79
O=C(NC1(C2CCCN2C(=O)C2=COC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030649583	1	39	-2.0	-95.46	332.67	-1.14	-96.60
O=C(C[N-]C(=O)C(F)(F)F)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649657	0	42	-2.0	-95.03	370.36	-1.28	-96.31
NC1=NC([O-])=C(CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030649658	0	44	-2.0	-117.11	376.62	-2.33	-119.44
O=C(NC1(C2CCCN2C(=O)C2=CC=C([O-])C=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030649679	1	43	-2.0	-97.69	357.13	2.01	-95.68
O=C(NC1(C2CCCN2C(=O)C2=CC([O-])=CC(=O)O2)CC1)C1=CC(=O)[N-]O1	REAL300030649685	0	42	-2.0	-96.00	357.44	1.45	-94.55
N#CC1=CC=C(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C=C1[O-]	REAL300030649693	1	44	-2.0	-96.19	361.49	2.52	-93.67
O=C(NC1(C2CCCN2C(=O)C2=CC(Cl)=NC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030649697	0	42	-2.0	-102.40	344.19	2.11	-100.29
N#CC1=CC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)=C(N)[N-]C1=O	REAL300030649700	0	45	-2.0	-90.03	373.04	-0.61	-90.64
O=C(CN1N=CC(=O)[N-]C1=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649714	0	44	-2.0	-108.81	371.31	-2.92	-111.73
CC1=CC=C([O-])C(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300030649778	1	45	-2.0	-113.04	372.94	3.64	-109.40
O=C(CCC1=NNC(=O)[N-]1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030649779	0	45	-2.0	-97.27	376.26	-0.94	-98.21
O=C(NC1(C2CCCN2C(=O)C2=C[N-]N=CC2=O)CC1)C1=CC(=O)[N-]O1	REAL300030649797	0	41	-2.0	-91.65	318.68	0.37	-91.28
O=C(NC1(C2CCCN2C(=O)C2=CC=CC(F)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030649805	0	43	-2.0	-107.27	345.27	3.57	-103.70
O=C(NC1(C2CCCN2C(=O)C2=CC=CC([O-])=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030649898	1	43	-2.0	-104.44	345.59	2.16	-102.28
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)N[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030650003	0	40	-2.0	-95.71	336.66	-0.93	-96.64
C[PH](C)([O-])C(=O)C(=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650008	0	45	-2.0	-100.01	378.98	0.68	-99.33
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)N([O-])C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030650099	0	43	-2.0	-104.93	347.08	2.65	-102.28
O=C(NC1(C2CCCN2C(=O)C2=NC(=O)N[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030650128	0	39	-2.0	-90.69	327.16	-1.96	-92.65
O=C(NC1(C2CCCN2C(=O)C2=CC=CN([O-])C2=O)CC1)C1=CC(=O)[N-]O1	REAL300030650134	0	43	-2.0	-107.68	348.42	2.81	-104.87
O=C(NC1(C2CCCN2C(=O)C2=CC(F)=CC=C2O)CC1)C1=CC(=O)[N-]O1	REAL300030650291	0	43	-2.0	-104.45	342.75	3.64	-100.81
O=C(NC1(C2CCCN2C(=O)C2=CC(F)=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030650291	1	43	-2.0	-104.45	342.75	3.64	-100.81
CC1=CC=NC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)=C1O	REAL300030650353	0	45	-2.0	-111.64	371.66	3.76	-107.88
CC1=CC=NC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)=C1[O-]	REAL300030650353	1	45	-2.0	-111.64	371.66	3.76	-107.88
O=C(NC1(C2CCCN2C(=O)C2=CN=CC(O)=C2)CC1)C1=CC(=O)[N-]O1	REAL300030650468	0	42	-2.0	-100.37	347.41	0.08	-100.29
O=C(NC1(C2CCCN2C(=O)C2=CN=CC([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300030650468	1	42	-2.0	-100.37	347.41	0.08	-100.29
O=C(NC1(C2CCCN2C(=O)C2=CC=CC(=S)N2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030650478	0	43	-2.0	-124.00	355.62	4.49	-119.51
O=C(NC1(C2CCCN2C(=O)C2=CC=C([O-])C(Cl)=N2)CC1)C1=CC(=O)[N-]O1	REAL300030650591	0	42	-2.0	-86.39	362.59	1.33	-85.06
O=C(NC1(C2CCCN2C(=O)C2=CC=C(O)C=C2Cl)CC1)C1=CC(=O)[N-]O1	REAL300030650635	0	43	-2.0	-96.20	365.24	2.44	-93.76
O=C(NC1(C2CCCN2C(=O)C2=CC=C([O-])C=C2Cl)CC1)C1=CC(=O)[N-]O1	REAL300030650635	1	43	-2.0	-96.20	365.24	2.44	-93.76
N#CC1=CC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)=C([O-])C=C1N	REAL300030650636	0	46	-2.0	-97.03	372.82	1.78	-95.25
O=C(CC1=NC([O-])=CS1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650643	0	42	-2.0	-111.26	369.68	-0.89	-112.15
O=C(CN1[N-]C(=O)C=CC1=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650657	0	45	-2.0	-102.10	377.08	-0.82	-102.92
O=C(CC1SC(=O)[N-]C1=O)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650753	0	43	-2.0	-91.33	373.95	-2.01	-93.34
O=C(NC1(C2CCCN2C(=O)C2=CC=C([O-])C(F)=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030650774	0	43	-2.0	-100.66	362.03	2.08	-98.58
O=C(NC1(C2CCCN2C(=O)C2=CC=CC(Cl)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030650781	0	43	-2.0	-101.88	355.08	4.03	-97.85
CC1=CC(=O)C(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300030650807	0	44	-2.0	-100.42	366.29	2.71	-97.71
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030650810	0	48	-2.0	-112.05	397.45	2.36	-109.69
O=C(NC1(C2CCCN2C(=O)C2=CC=CC(=O)N2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030650829	0	43	-2.0	-121.28	344.51	3.46	-117.82
N#CC1=CC=C(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300030650852	0	43	-2.0	-87.10	357.64	0.61	-86.49
CN1N=C(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300030650902	0	42	-2.0	-100.81	356.51	-0.71	-101.52
[N-]=[N+]=NC1=CC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)=CC=C1[O-]	REAL300030650925	0	45	-2.0	-95.93	379.44	-0.25	-96.18
N#CC1=CC=C([O-])C(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030650961	0	44	-2.0	-102.39	348.51	3.86	-98.53
O=C(NC1(C2CCCN2C(=O)C2=CN([O-])C(=O)NC2=O)CC1)C1=CC(=O)[N-]O1	REAL300030651053	0	43	-2.0	-101.60	341.56	0.08	-101.52
O=C(NC1(C2CCCN2C(=O)C2=CC=C(F)C(O)=C2)CC1)C1=CC(=O)[N-]O1	REAL300030651103	0	43	-2.0	-101.00	347.51	2.13	-98.87
O=C(NC1(C2CCCN2C(=O)C2=CC=C(F)C([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300030651103	1	43	-2.0	-101.00	347.51	2.13	-98.87
O=C(NC1(C2CCCN2C(=O)C2=CC=C(Cl)C=C2O)CC1)C1=CC(=O)[N-]O1	REAL300030651120	0	43	-2.0	-105.91	367.16	3.86	-102.05
O=C(NC1(C2CCCN2C(=O)C2=CC=C(Cl)C=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030651120	1	43	-2.0	-105.91	367.16	3.86	-102.05
O=C(NC1(C2CCCN2C(=O)C2=NC(=O)[N-]C(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL300030651185	0	41	-2.0	-90.71	345.37	-3.65	-94.36
O=C(NC1(C2CCCN2C(=O)C2=NC(=O)NC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030651185	1	41	-2.0	-91.86	350.42	-2.59	-94.45
O=C(NC1(C2CCCN2C(=O)C2=CC=C3N=NN([O-])C3=C2)CC1)C1=CC(=O)[N-]O1	REAL300030651199	0	45	-2.0	-101.73	363.41	1.14	-100.59
O=C(NC1(C2CCCN2C(=O)C2=C(Cl)C(=O)[N-]S2)CC1)C1=CC(=O)[N-]O1	REAL300030651228	0	39	-2.0	-97.65	352.61	-0.30	-97.95
NC1=NC=C(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300030651242	1	43	-2.0	-93.61	346.65	-0.54	-94.15
CC1=C(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)[N-]C(=O)C(C#N)=C1	REAL300030651265	0	46	-2.0	-89.31	384.09	2.34	-86.97
O=C(NC1(C2CCCN2C(=O)C2=CC=C(F)C([O-])=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030651277	0	43	-2.0	-109.83	361.99	2.04	-107.79
COC1=NC(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)=CC(=O)[N-]1	REAL300030651325	0	45	-2.0	-97.90	370.74	-2.67	-100.57
O=C(NC1(C2CCCN2C(=O)C2=CC=C3N[N-]N=C3C2=O)CC1)C1=CC(=O)[N-]O1	REAL300030651326	0	45	-2.0	-98.72	344.58	0.57	-98.15
O=C(NC1(C2CCCN2C(=O)C2=NC=CC(Cl)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030651332	0	42	-2.0	-107.77	367.53	3.59	-104.18
O=C(NC1(C2CCCN2C(=O)C2=CC=C(Cl)C([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300030651365	0	43	-2.0	-97.11	357.24	2.61	-94.50
O=C(NC1(C2CCCN2C(=O)C2=CC=NC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030651374	0	42	-2.0	-106.20	345.72	1.54	-104.66
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)[N-]O1	REAL300030651379	0	39	-2.0	-101.78	334.42	-0.47	-102.25
CC1=C([O-])N=C(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030651400	1	42	-2.0	-101.26	364.38	-0.32	-101.58
O=C(NC1(C2CCCN2C(=O)C(=O)C2=CC=C([O-])C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030651490	1	45	-2.0	-96.15	374.56	2.24	-93.91
O=C(NC1(C2CCCN2C(=O)C2=CN=C(C=N[O-])S2)CC1)C1=CC(=O)[N-]O1	REAL300030651513	0	42	-2.0	-100.55	359.63	0.23	-100.32
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030651534	1	42	-2.0	-94.67	369.33	2.94	-91.73
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)NC([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300030651557	0	43	-2.0	-87.68	347.05	-2.25	-89.93
CCN1[N-]C(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030651617	0	46	-2.0	-96.89	376.91	1.43	-95.46
CN1[N-]C(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030651634	0	43	-2.0	-95.84	355.14	0.50	-95.34
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651644	0	43	-2.0	-97.44	377.14	-1.29	-98.73
O=C(CC1=CC(=O)N[N-]1)N1CCCC1C1(NC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030651764	1	43	-2.0	-105.99	363.80	-0.15	-106.14
O=C(NC1(C2CCCN2C(=O)C2=CC=C([O-])C(F)=C2)CC1)C1=CC(=O)[N-]O1	REAL300030651769	1	43	-2.0	-93.70	347.66	2.17	-91.53
O=C(NC1(C2CCCN2C(=O)C2=CC(F)=C([O-])C(F)=C2)CC1)C1=CC(=O)[N-]O1	REAL300030651812	0	43	-2.0	-111.22	353.20	1.95	-109.27
O=C(NC1(C2CCCN2C(=O)C2=CC=NC(Cl)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030651817	0	42	-2.0	-99.93	350.21	2.19	-97.74
CC1=C(CC(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N(C)[N-]1	REAL300030651831	0	49	-2.0	-101.17	403.62	1.90	-99.27
CC1=CN=C(C(=O)N2CCCC2C2(NC(=O)C3=CC(=O)[N-]O3)CC2)C([O-])=C1	REAL300030651867	1	45	-2.0	-111.06	365.75	3.08	-107.98
O=C(NC1(C2CCCN2C(=O)C2=CC([O-])=CS2)CC1)C1=CC(=O)[N-]O1	REAL300030651888	0	40	-2.0	-99.66	333.33	1.04	-98.62
O=C(NC1(C2CCCN2C(=O)C2=CN([O-])C(=O)C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030651901	0	43	-2.0	-110.52	356.89	2.45	-108.07
O=C(NC1(C2CCCN2C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN([O-])C(=O)NC1=O	REAL300030651931	0	43	-2.0	-93.19	358.08	0.19	-93.00
O=C(C1=CC(=O)[N-]O1)N1CCC(O)(C2CCN(C(=O)C3=COC(=O)[N-]3)CC2)C1	REAL300030652320	1	46	-2.0	-86.53	374.87	-2.18	-88.71
O=C(C1=CC(=O)[N-]O1)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)N[N-]3)CC2)C1	REAL300030652404	0	47	-2.0	-89.32	381.60	-2.24	-91.56
O=C(C1=CC(=O)[N-]O1)N1CCC(O)(C2CCN(C(=O)C3=NC(=O)N[N-]3)CC2)C1	REAL300030652478	0	46	-2.0	-87.68	376.37	-2.89	-90.57
O=C(C1=COC(=O)[N-]1)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030652913	1	46	-2.0	-88.42	375.05	-2.46	-90.88
O=C(C1=CC(=O)N[N-]1)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030652970	0	47	-2.0	-89.65	381.36	-2.49	-92.14
O=C(C1=NC(=O)N[N-]1)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030652983	0	46	-2.0	-88.84	374.66	-3.09	-91.93
O=C(C1=CC(=O)[N-]O1)N1CCC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030653136	0	46	-2.0	-93.69	374.89	-2.19	-95.88
O=C(C1=CC(=O)[N-]O1)N1CC(O)(C2CCN(C(=O)C3=COC(=O)[N-]3)CC2)C1	REAL300030653958	1	43	-2.0	-89.95	357.37	-2.98	-92.93
O=C(CC1=CC(=O)N[N-]1)N1CCC(C2(O)CN(C(=O)C3=CC(=O)[N-]O3)C2)CC1	REAL300030654037	1	47	-2.0	-100.43	392.84	-2.46	-102.89
CN1N=C(C(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)[N-]C1=O	REAL300030654046	0	46	-2.0	-96.89	386.53	-2.70	-99.59
O=C(C1=CC(=O)[N-]O1)N1CC(O)(C2CCN(C(=O)C3=C[N-]N=CC3=O)CC2)C1	REAL300030654078	0	45	-2.0	-84.69	370.24	-1.63	-86.32
O=C(C1=CC(=O)[N-]O1)N1CC(O)(C2CCN(C(=O)C3=CC(=O)N[N-]3)CC2)C1	REAL300030654112	0	44	-2.0	-91.07	362.24	-3.09	-94.16
O=C(C1=CC(=O)[N-]O1)N1CC(O)(C2CCN(C(=O)C3=NC(=O)N[N-]3)CC2)C1	REAL300030654290	0	43	-2.0	-90.39	357.03	-3.70	-94.09
CN1[N-]C(C(=O)N2CCC(C3(O)CN(C(=O)C4=CC(=O)[N-]O4)C3)CC2)=CC1=O	REAL300030654378	0	47	-2.0	-93.63	385.06	-1.37	-95.00
O=C(C1=NC=CC=C1[O-])N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030654734	1	46	-2.0	-103.71	380.92	0.51	-103.20
O=C(C1=COC(=O)[N-]1)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655230	1	43	-2.0	-89.69	364.41	-3.64	-93.33
O=C(C1=C[N-]N=CC1=O)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655304	0	45	-2.0	-94.03	371.86	-0.48	-94.51
O=C(C1=CC(=O)N[N-]1)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655365	0	44	-2.0	-90.40	369.24	-3.08	-93.48
O=C(C1=NC(=O)N[N-]1)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655399	0	43	-2.0	-89.99	363.98	-4.09	-94.08
O=C(C1=CN=CC([O-])=C1)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655509	1	46	-2.0	-96.37	371.64	-2.22	-98.59
CN1N=C(C(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)[N-]C1=O	REAL300030655620	0	46	-2.0	-97.16	386.63	-2.87	-100.03
O=C(C1=CC=NC=C1[O-])N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655753	0	46	-2.0	-104.50	376.71	-0.27	-104.77
O=C(C1=CC(=O)[N-]O1)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655756	0	43	-2.0	-94.56	364.26	-2.76	-97.32
CN1[N-]C(C(=O)N2CC(O)(C3CCN(C(=O)C4=CC(=O)[N-]O4)CC3)C2)=CC1=O	REAL300030655845	0	47	-2.0	-93.06	392.06	-1.38	-94.44
O=C(CC1=CC(=O)N[N-]1)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655893	1	47	-2.0	-99.79	391.89	-2.50	-102.29
O=C(C1=CC([O-])=CS1)N1CC(O)(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C1	REAL300030655937	0	44	-2.0	-101.31	376.11	-0.97	-102.28
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F)C1=COC(=O)[N-]1	REAL300030656518	1	41	-2.0	-99.94	346.52	-1.67	-101.61
O=C(CC1=CC(=O)N[N-]1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F	REAL300030656581	1	45	-2.0	-96.15	372.11	-0.71	-96.86
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F)C1=C[N-]N=CC1=O	REAL300030656609	0	43	-2.0	-93.36	355.57	1.48	-91.88
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F)C1=CC(=O)N[N-]1	REAL300030656638	0	42	-2.0	-93.54	351.45	-1.34	-94.88
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F)C1=NC(=O)N[N-]1	REAL300030656759	0	41	-2.0	-100.04	345.95	-1.97	-102.01
CN1[N-]C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)CCC2(F)F)=CC1=O	REAL300030656818	0	45	-2.0	-102.95	374.16	1.03	-101.92
O=C(NCC1CCN(C(=O)C2=NC=CC=C2[O-])CCC1(F)F)C1=CC(=O)[N-]O1	REAL300030657105	1	44	-2.0	-104.75	362.72	3.87	-100.88
O=C(NCC1CCN(C(=O)C2=COC(=O)[N-]2)CCC1(F)F)C1=CC(=O)[N-]O1	REAL300030657460	1	41	-2.0	-95.76	347.79	0.19	-95.57
O=C(NCC1CCN(C(=O)C2=C[N-]N=CC2=O)CCC1(F)F)C1=CC(=O)[N-]O1	REAL300030657513	0	43	-2.0	-88.29	365.48	0.55	-87.74
O=C(NCC1CCN(C(=O)C2=CC(=O)N[N-]2)CCC1(F)F)C1=CC(=O)[N-]O1	REAL300030657562	0	42	-2.0	-96.33	350.90	-0.10	-96.43
O=C(NCC1CCN(C(=O)C2=NC(=O)N[N-]2)CCC1(F)F)C1=CC(=O)[N-]O1	REAL300030657583	0	41	-2.0	-98.10	345.79	-0.48	-98.58
O=C(NCC1CCN(C(=O)C2=CN=CC([O-])=C2)CCC1(F)F)C1=CC(=O)[N-]O1	REAL300030657663	1	44	-2.0	-91.97	367.32	0.87	-91.10
O=C(NCC1CCN(C(=O)C2=CC=NC=C2[O-])CCC1(F)F)C1=CC(=O)[N-]O1	REAL300030657825	0	44	-2.0	-101.36	362.46	0.91	-100.45
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)CCC1(F)F)C1=CC(=O)[N-]O1	REAL300030657827	0	41	-2.0	-98.14	346.19	-0.86	-99.00
CN1[N-]C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C(F)(F)CC2)=CC1=O	REAL300030657891	0	45	-2.0	-98.00	373.64	1.59	-96.41
O=C(CC1=CC(=O)N[N-]1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C(F)(F)CC1	REAL300030657924	1	45	-2.0	-102.34	376.43	-0.54	-102.88
O=C(CCCN1C(=O)[N-]NC1=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030658933	0	45	-2.0	-90.21	386.32	-1.99	-92.20
O=C(CCC1=NNC(=O)[N-]C1=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659099	0	43	-2.0	-89.06	374.02	-4.71	-93.77
CC(=O)[N-]C1=NC(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030659100	1	41	-2.0	-86.02	366.69	-1.37	-87.39
O=C(CCN1C=C[N-]C(=O)C1=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659224	1	44	-2.0	-97.93	379.72	-0.60	-98.53
COC1=C(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030659311	1	42	-2.0	-94.99	361.70	-3.82	-98.81
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]C1=O	REAL300030659403	0	37	-2.0	-92.72	331.35	-4.98	-97.70
O=C(CN1C(=O)[N-]NC1=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030659496	0	39	-2.0	-91.03	343.79	-3.17	-94.20
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)C=C1	REAL300030660190	0	39	-2.0	-107.21	339.30	1.13	-106.08
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)NC([O-])=C1	REAL300030660324	0	39	-2.0	-91.96	340.71	-3.76	-95.72
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300030660336	1	35	-2.0	-95.96	314.91	-3.84	-99.80
CCN1[N-]C(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030660526	0	42	-2.0	-96.16	362.13	-0.28	-96.44
O=C(CC1=CC(=O)N[N-]1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660533	1	39	-2.0	-100.86	337.35	-2.31	-103.17
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=S)N1[O-]	REAL300030660552	0	39	-2.0	-126.56	347.76	3.04	-123.52
O=C(CC1SC(=O)[N-]C1=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660564	0	39	-2.0	-93.55	350.37	-3.82	-97.37
CN1N=C(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030660580	0	38	-2.0	-96.48	337.04	-2.60	-99.08
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300030660682	0	37	-2.0	-84.78	321.80	-0.76	-85.54
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C2N=NN([O-])C2=C1	REAL300030660718	0	41	-2.0	-110.58	354.51	-0.30	-110.88
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300030660799	0	36	-2.0	-100.49	316.29	-2.85	-103.34
C[PH](C)([O-])C(=O)C(=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030660803	0	41	-2.0	-100.16	354.64	-1.55	-101.71
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300030660845	0	39	-2.0	-103.20	337.85	1.29	-101.91
CSC1=NC=C(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030660862	1	41	-2.0	-91.92	363.98	-0.91	-92.83
CC1=C([O-])N=C(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030660881	1	38	-2.0	-95.26	343.34	-2.83	-98.09
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300030660896	1	38	-2.0	-86.05	346.72	0.35	-85.70
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300030660911	0	39	-2.0	-101.59	341.14	1.29	-100.30
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300030660962	0	39	-2.0	-122.56	336.65	2.00	-120.56
O=C(C[N-]C(=O)C(F)(F)F)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661103	0	38	-2.0	-85.14	348.19	-2.90	-88.04
NC1=NC([O-])=C(CC(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030661104	0	40	-2.0	-104.86	359.41	-3.73	-108.59
O=C(CC1=NC([O-])=CS1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661155	0	38	-2.0	-105.91	345.25	-2.93	-108.84
O=C(CN1N=CC(=O)[N-]C1=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661186	0	40	-2.0	-95.40	354.09	-4.29	-99.69
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C(Cl)C(=O)[N-]S1	REAL300030661252	0	35	-2.0	-87.01	335.78	-1.49	-88.50
COCC1=NC=C(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030661336	0	44	-2.0	-92.05	375.66	-2.19	-94.24
COCC1=NC=C(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030661336	1	44	-2.0	-92.05	375.66	-2.19	-94.24
CC1=CC(=O)C(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030661423	0	40	-2.0	-93.95	348.55	0.88	-93.07
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)N[N-]1	REAL300030661439	0	35	-2.0	-88.13	312.81	-4.08	-92.21
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300030661455	0	40	-2.0	-90.81	356.98	0.23	-90.58
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030661455	1	40	-2.0	-90.81	356.98	0.23	-90.58
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C=N[O-])S1	REAL300030661569	0	38	-2.0	-97.66	353.45	-1.19	-98.85
CN1[N-]C(C(=O)NC2(CF)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030661773	0	39	-2.0	-103.32	339.02	-1.14	-104.46
O=C(CSC1=NNC(=O)[N-]1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030661784	0	39	-2.0	-96.08	356.84	-3.00	-99.08
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300030661963	0	37	-2.0	-90.08	333.54	-5.12	-95.20
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300030661963	1	37	-2.0	-90.08	333.54	-5.12	-95.20
O=C(COC1=NC(=O)[N-]C(=O)N1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030662022	0	41	-2.0	-92.19	364.43	-6.86	-99.05
O=C(COC1=NC(=O)NC(=O)[N-]1)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030662022	1	41	-2.0	-92.19	364.43	-6.86	-99.05
O=C(CN1[N-]C(=O)C=CC1=O)NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030662143	0	41	-2.0	-90.89	359.86	-2.19	-93.08
O=C(NC1(CF)CCN(C(=O)C2=NC=CC=C2O)C1)C1=CC(=O)[N-]O1	REAL300030662399	0	38	-2.0	-99.37	329.84	1.26	-98.11
O=C(NC1(CF)CCN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030662399	1	38	-2.0	-99.37	329.84	1.26	-98.11
O=C(CCN1C=CNC(=O)C1=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030662516	0	44	-2.0	-100.79	379.29	-0.49	-101.28
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030662516	1	44	-2.0	-100.79	379.29	-0.49	-101.28
CC(=O)NC1=NC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030662528	0	41	-2.0	-84.62	368.01	-0.62	-85.24
CC(=O)[N-]C1=NC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030662528	1	41	-2.0	-84.62	368.01	-0.62	-85.24
O=C(NC1(CF)CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300030662559	0	37	-2.0	-101.53	328.51	-4.70	-106.23
COC1=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)NC1=O	REAL300030662611	0	42	-2.0	-91.34	364.13	-3.41	-94.75
COC1=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030662611	1	42	-2.0	-91.34	364.13	-3.41	-94.75
O=C(CN1C(=O)[N-]NC1=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030662777	0	39	-2.0	-92.14	346.64	-3.10	-95.24
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030663735	0	45	-2.0	-92.49	389.17	-1.87	-94.36
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030664765	0	43	-2.0	-90.27	376.86	-4.60	-94.87
O=C(NC1(CF)CCN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030664775	0	41	-2.0	-94.94	357.05	2.04	-92.90
O=C(NC1(CF)CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030664789	1	39	-2.0	-101.03	345.67	2.37	-98.66
N#CC1=CC([O-])=CC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030664820	1	40	-2.0	-96.39	351.96	0.59	-95.80
NC1=CC=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1Cl	REAL300030664845	0	41	-2.0	-104.68	357.47	0.32	-104.36
O=C(NC1(CF)CCN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030664907	0	41	-2.0	-104.52	354.95	3.11	-101.41
O=C(NC1(CF)CCN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030664961	1	35	-2.0	-93.41	314.55	-2.79	-96.20
O=C(NC1(CF)CCN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300030665038	0	41	-2.0	-103.97	359.81	2.15	-101.82
O=C(C[N-]C(=O)C(F)(F)F)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665056	0	38	-2.0	-92.04	349.72	-2.96	-95.00
NC1=NC([O-])=C(CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030665057	0	40	-2.0	-116.88	362.92	-3.62	-120.50
O=C(NC1(CF)CCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300030665068	0	39	-2.0	-89.84	353.18	0.64	-89.20
O=C(NC1(CF)CCN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300030665089	1	39	-2.0	-97.15	343.59	0.53	-96.62
O=C(NC1(CF)CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300030665097	0	38	-2.0	-92.02	339.48	-0.06	-92.08
N#CC1=CC=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300030665107	1	40	-2.0	-96.07	351.25	0.64	-95.43
O=C(NC1(CF)CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030665111	0	38	-2.0	-96.98	341.09	0.49	-96.49
N#CC1=CC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=C(N)[N-]C1=O	REAL300030665118	0	41	-2.0	-86.78	369.96	-2.22	-89.00
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665135	0	40	-2.0	-95.01	355.04	-4.33	-99.34
CC1=CC=C([O-])C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030665217	1	41	-2.0	-104.91	352.72	1.76	-103.15
O=C(NC1(CF)CCN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300030665243	0	37	-2.0	-92.41	330.55	-1.01	-93.42
O=C(NC1(CF)CCN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030665256	0	39	-2.0	-106.32	335.17	1.91	-104.41
O=C(NC1(CF)CCN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300030665378	1	39	-2.0	-103.40	335.49	0.29	-103.11
O=C(NC1(CF)CCN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030665457	0	41	-2.0	-96.99	357.09	2.02	-94.97
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030665522	0	36	-2.0	-86.96	317.96	-2.45	-89.41
C[PH](C)([O-])C(=O)C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030665530	0	41	-2.0	-90.59	358.15	-1.38	-91.97
COCC1=NC=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030665594	0	44	-2.0	-101.52	384.67	-2.43	-103.95
COCC1=NC=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030665594	1	44	-2.0	-101.52	384.67	-2.43	-103.95
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300030665653	0	39	-2.0	-105.78	337.06	0.79	-104.99
O=C(NC1(CF)CCN(C(=O)C2=NNC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030665688	0	35	-2.0	-95.22	311.01	-4.09	-99.31
O=C(NC1(CF)CCN(C(=O)C2=C(O)C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030665693	0	39	-2.0	-92.01	357.77	1.20	-90.81
O=C(NC1(CF)CCN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030665693	1	39	-2.0	-92.01	357.77	1.20	-90.81
O=C(NC1(CF)CCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300030665701	0	39	-2.0	-125.04	349.11	1.28	-123.76
O=C(NC1(CF)CCN(C(=O)C2=C(F)C=CC(O)=C2F)C1)C1=CC(=O)[N-]O1	REAL300030665735	0	39	-2.0	-92.74	355.78	0.80	-91.94
O=C(NC1(CF)CCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300030665735	1	39	-2.0	-92.74	355.78	0.80	-91.94
NC1=CC(=O)[N-]C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030665849	0	39	-2.0	-101.34	340.46	-2.92	-104.26
O=C(NC1(CF)CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1)C1=CC(=O)[N-]O1	REAL300030665918	0	39	-2.0	-94.45	347.08	0.78	-93.67
O=C(NC1(CF)CCN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030665925	1	39	-2.0	-100.87	335.36	1.92	-98.95
CC1=CC=NC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300030666015	1	41	-2.0	-112.69	351.38	1.85	-110.84
O=C(NC1(CF)CCN(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030666184	1	38	-2.0	-97.69	326.15	-1.59	-99.28
O=C(NC1(CF)CCN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300030666197	0	39	-2.0	-114.81	357.33	1.52	-113.29
NC1=CC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC([O-])=C1Cl	REAL300030666351	1	41	-2.0	-102.87	359.81	-1.29	-104.16
O=C(NC1(CF)CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=CC(=O)[N-]O1	REAL300030666356	0	38	-2.0	-89.33	349.42	0.01	-89.32
O=C(NC1(CF)CCN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030666418	1	39	-2.0	-95.72	352.28	0.97	-94.75
N#CC1=CC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=C([O-])C=C1N	REAL300030666421	0	42	-2.0	-100.17	362.67	0.12	-100.05
O=C(CC1=NC([O-])=CS1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666433	0	38	-2.0	-103.94	344.18	-2.78	-106.72
O=C(NC1(CF)CCN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=CC(=O)[N-]O1	REAL300030666454	0	39	-2.0	-99.55	348.27	0.82	-98.73
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666457	0	41	-2.0	-90.79	360.81	-2.22	-93.01
O=C(NC1(CF)CCN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030666459	0	39	-2.0	-107.45	343.35	1.42	-106.03
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666506	0	42	-2.0	-114.62	368.86	1.38	-113.24
O=C(CC1SC(=O)[N-]C1=O)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666594	0	39	-2.0	-83.86	353.24	-3.62	-87.48
O=C(NC1(CF)CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=CC(=O)[N-]O1	REAL300030666626	0	39	-2.0	-96.29	341.72	0.39	-95.90
O=C(NC1(CF)CCN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300030666629	1	40	-2.0	-80.25	361.13	-0.79	-81.04
O=C(NC1(CF)CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030666635	0	39	-2.0	-101.89	344.97	2.38	-99.51
CC1=CC(=O)C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030666671	0	40	-2.0	-91.15	346.63	1.35	-89.80
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666677	0	44	-2.0	-119.21	375.48	0.90	-118.31
O=C(NC1(CF)CCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300030666707	0	39	-2.0	-113.18	346.22	0.88	-112.30
N#CC1=CC=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030666749	0	39	-2.0	-83.28	355.06	-1.06	-84.34
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666750	0	41	-2.0	-92.24	367.94	-6.45	-98.69
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030666750	1	41	-2.0	-90.55	369.56	-6.42	-96.97
O=C(NC1(CF)CCN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300030666779	0	41	-2.0	-86.07	362.27	2.02	-84.05
CN1N=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030666823	0	38	-2.0	-98.44	333.76	-2.44	-100.88
[N-]=[N+]=NC1=CC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC=C1[O-]	REAL300030666856	0	41	-2.0	-90.46	363.60	-1.77	-92.23
O=C(NC1(CF)CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030666898	1	40	-2.0	-93.84	358.88	-1.09	-94.93
N#CC1=CC=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030666899	0	40	-2.0	-104.98	357.77	1.77	-103.21
N#CC1=CC=C([O-])C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030666908	0	40	-2.0	-97.54	355.29	2.12	-95.42
O=C(NC1(CF)CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=CC(=O)[N-]O1	REAL300030667033	0	39	-2.0	-100.32	354.45	-1.36	-101.68
O=C(NC1(CF)CCN(C(=O)C2=CC=C(F)C(O)=C2)C1)C1=CC(=O)[N-]O1	REAL300030667098	0	39	-2.0	-100.86	337.32	0.27	-100.59
O=C(NC1(CF)CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030667098	1	39	-2.0	-100.86	337.32	0.27	-100.59
O=C(NC1(CF)CCN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030667109	0	41	-2.0	-104.61	365.10	2.01	-102.60
O=C(NC1(CF)CCN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030667112	0	41	-2.0	-93.34	362.61	2.39	-90.95
O=C(NC1(CF)CCN(C(=O)C2=CC=C(Cl)C=C2O)C1)C1=CC(=O)[N-]O1	REAL300030667125	0	39	-2.0	-107.19	353.67	1.88	-105.31
O=C(NC1(CF)CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030667125	1	39	-2.0	-107.19	353.67	1.88	-105.31
O=C(NC1(CF)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300030667223	0	37	-2.0	-90.34	330.97	-4.87	-95.21
O=C(NC1(CF)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030667223	1	37	-2.0	-91.69	328.54	-4.19	-95.88
O=C(NC1(CF)CCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1)C1=CC(=O)[N-]O1	REAL300030667257	0	41	-2.0	-99.46	353.29	-0.75	-100.21
O=C(NC1(CF)CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=CC(=O)[N-]O1	REAL300030667298	0	35	-2.0	-88.42	333.51	-1.78	-90.20
CC1=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300030667352	0	42	-2.0	-85.41	367.50	0.85	-84.56
O=C(NC1(CF)CCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300030667372	0	39	-2.0	-102.41	341.69	0.36	-102.05
O=C(NC1(CF)CCN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030667432	1	40	-2.0	-87.42	352.88	-0.14	-87.56
COC1=NC(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030667438	0	41	-2.0	-90.46	355.95	-3.92	-94.38
O=C(NC1(CF)CCN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1)C1=CC(=O)[N-]O1	REAL300030667440	0	41	-2.0	-111.99	363.99	-0.82	-112.81
O=C(NC1(CF)CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030667453	0	38	-2.0	-108.70	347.25	1.67	-107.03
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667459	1	42	-2.0	-97.28	378.82	2.06	-95.22
O=C(NC1(CF)CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030667500	0	39	-2.0	-97.46	347.12	0.76	-96.70
O=C(NC1(CF)CCN(C(=O)C2=CC=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030667511	0	38	-2.0	-106.57	331.70	-0.32	-106.89
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300030667521	0	35	-2.0	-98.66	314.48	-2.36	-101.02
CC1=C([O-])N=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030667555	1	38	-2.0	-103.07	342.87	-1.98	-105.05
O=C(NC1(CF)CCN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300030667603	1	45	-2.0	-103.30	387.73	2.89	-100.41
O=C(NC1(CF)CCN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030667622	1	45	-2.0	-108.76	373.85	4.14	-104.62
O=C(NC1(CF)CCN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030667630	1	45	-2.0	-110.19	375.01	4.10	-106.09
O=C(NC1(CF)CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300030667677	1	41	-2.0	-97.63	352.61	0.63	-97.00
O=C(NC1(CF)CCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=CC(=O)[N-]O1	REAL300030667711	0	38	-2.0	-99.29	351.54	-1.35	-100.64
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030667744	1	38	-2.0	-98.75	345.57	0.96	-97.79
CSC1=NC=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030667769	1	41	-2.0	-113.82	375.44	-1.05	-114.87
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030667776	0	39	-2.0	-91.67	347.90	-3.75	-95.42
CCN1[N-]C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030667856	0	42	-2.0	-90.19	362.50	0.20	-89.99
CN1[N-]C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030667878	0	39	-2.0	-89.38	340.68	-0.74	-90.12
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030667895	0	39	-2.0	-90.65	358.03	-2.78	-93.43
CC1=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300030667897	1	41	-2.0	-94.81	370.90	-1.40	-96.21
O=C(CC1=CC(=O)N[N-]1)N1CCC(CF)(NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030668070	1	39	-2.0	-95.06	338.32	-2.07	-97.13
O=C(NC1(CF)CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300030668076	1	39	-2.0	-97.73	337.28	0.30	-97.43
O=C(NC1(CF)CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300030668137	0	39	-2.0	-93.71	345.24	0.43	-93.28
O=C(NC1(CF)CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030668143	0	38	-2.0	-98.82	340.40	0.52	-98.30
CC1=C(CC(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300030668163	0	45	-2.0	-99.26	384.51	0.37	-98.89
CC1=CN=C(C(=O)N2CCC(CF)(NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030668211	1	41	-2.0	-100.85	351.30	1.89	-98.96
O=C(NC1(CF)CCN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030668225	0	40	-2.0	-105.40	369.87	-1.46	-106.86
O=C(NC1(CF)CCN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300030668245	0	36	-2.0	-96.33	325.20	-0.51	-96.84
O=C(NC1(CF)CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300030668267	0	39	-2.0	-111.19	349.60	1.24	-109.95
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)NC1=O	REAL300030668314	0	39	-2.0	-92.30	343.11	-1.26	-93.56
O=C(NC1(CF)CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030668343	1	40	-2.0	-91.03	352.60	-0.56	-91.59
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C2CC2)[N-]C1=O	REAL300030668811	1	48	-2.0	-96.09	399.79	1.72	-94.37
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300030669778	0	41	-2.0	-104.43	355.47	-3.42	-107.85
O=C(CN1C(=O)[N-]NC1=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030669880	0	43	-2.0	-110.01	369.25	-1.80	-111.81
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300030670587	0	43	-2.0	-103.16	361.78	2.47	-100.69
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300030670718	0	43	-2.0	-96.04	367.03	-2.20	-98.24
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300030670729	1	39	-2.0	-88.60	334.62	-2.54	-91.14
CCN1[N-]C(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030670922	0	46	-2.0	-101.87	388.12	1.26	-100.61
O=C(CC1=CC(=O)N[N-]1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670930	1	43	-2.0	-110.86	364.35	-0.78	-111.64
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=S)N1[O-]	REAL300030670950	0	43	-2.0	-141.39	375.15	4.71	-136.68
O=C(CC1SC(=O)[N-]C1=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030670961	0	43	-2.0	-100.59	377.82	-2.24	-102.83
CN1N=C(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030670978	0	42	-2.0	-104.85	361.14	-1.21	-106.06
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300030671075	0	41	-2.0	-89.34	348.11	0.75	-88.59
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CC=C2N=NN([O-])C2=C1	REAL300030671111	0	45	-2.0	-99.89	378.27	1.01	-98.88
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300030671196	0	40	-2.0	-97.79	343.57	-1.40	-99.19
C[PH](C)([O-])C(=O)C(=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671201	0	45	-2.0	-85.46	377.58	-0.25	-85.71
O=C(CCC1=NC(=O)NN1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671233	0	45	-2.0	-106.10	379.50	-1.72	-107.82
O=C(CCC1=NC(=O)[N-]N1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671233	1	45	-2.0	-106.10	379.50	-1.72	-107.82
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300030671238	0	43	-2.0	-103.55	364.13	2.82	-100.73
CC1SC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030671273	0	42	-2.0	-99.85	370.45	-1.23	-101.08
CC1=C([O-])N=C(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)S1	REAL300030671273	1	42	-2.0	-99.85	370.45	-1.23	-101.08
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)N1	REAL300030671287	0	42	-2.0	-94.60	374.06	1.94	-92.66
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)C=C(Cl)[N-]1	REAL300030671287	1	42	-2.0	-94.60	374.06	1.94	-92.66
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300030671307	0	43	-2.0	-104.01	362.15	2.46	-101.55
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300030671350	0	43	-2.0	-137.68	364.04	3.67	-134.01
NC1=NC([O-])=C(CC(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)S1	REAL300030671489	0	44	-2.0	-124.88	385.22	-2.36	-127.24
O=C(CC1=NC([O-])=CS1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030671541	0	42	-2.0	-105.27	365.96	-1.63	-106.90
CCC1=NC=C(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030671562	0	47	-2.0	-94.62	389.04	1.11	-93.51
CCC1=NC=C(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030671562	1	47	-2.0	-94.62	389.04	1.11	-93.51
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=C(Cl)C(=O)[N-]S1	REAL300030671638	0	39	-2.0	-98.34	361.45	-0.12	-98.46
CC1=CC(=O)C(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030671813	0	44	-2.0	-104.23	372.63	2.44	-101.79
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300030671829	0	39	-2.0	-95.59	338.50	-2.66	-98.25
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CN=C(C=N[O-])S1	REAL300030671963	0	42	-2.0	-108.26	379.27	0.18	-108.08
COC1=NC(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030671979	0	45	-2.0	-102.66	384.63	-3.35	-106.01
CN1[N-]C(C(=O)NCC2CC3CCC2N3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030672158	0	43	-2.0	-100.75	366.72	0.35	-100.40
O=C(CSC1=NNC(=O)[N-]1)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672166	0	43	-2.0	-91.84	376.07	-1.75	-93.59
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300030672341	0	41	-2.0	-95.88	357.03	-4.43	-100.31
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300030672341	1	41	-2.0	-84.72	353.22	-3.85	-88.57
O=C(CN1[N-]C(=O)C=CC1=O)NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1	REAL300030672510	0	45	-2.0	-92.71	381.23	-0.97	-93.68
O=C(NCC1CC2CCC1N2C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030672764	1	42	-2.0	-111.61	355.27	2.58	-109.03
O=C(NCC1CC2CCC1N2C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300030672899	0	41	-2.0	-101.72	354.86	-3.18	-104.90
O=C(CN1C(=O)[N-]NC1=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030673092	0	43	-2.0	-105.38	372.80	-1.64	-107.02
O=C(NCC1CC2CCC1N2C(=O)C1=CN=C(C2CC2)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300030674056	1	48	-2.0	-99.12	404.97	1.32	-97.80
O=C(NCC1CC2CCC1N2C(=O)C1=CC(Cl)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030674744	1	43	-2.0	-98.38	371.85	3.66	-94.72
N#CC1=CC([O-])=CC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030674771	1	44	-2.0	-100.44	382.24	2.23	-98.21
CCC1=NC=C(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030674870	1	47	-2.0	-97.37	394.13	0.66	-96.71
O=C(NCC1CC2CCC1N2C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030674890	1	39	-2.0	-95.61	338.46	-1.29	-96.90
O=C(C[N-]C(=O)C(F)(F)F)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030674967	0	42	-2.0	-87.48	373.04	-1.58	-89.06
NC1=NC([O-])=C(CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030674968	0	44	-2.0	-122.02	388.46	-2.18	-124.20
O=C(NCC1CC2CCC1N2C(=O)C1=C(F)C=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300030674978	0	43	-2.0	-94.99	380.38	2.23	-92.76
O=C(NCC1CC2CCC1N2C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300030674994	1	43	-2.0	-97.99	367.00	1.93	-96.06
O=C(NCC1CC2CCC1N2C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300030675000	0	42	-2.0	-95.92	363.87	1.30	-94.62
N#CC1=CC=C(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C=C1[O-]	REAL300030675009	1	44	-2.0	-96.93	380.73	2.29	-94.64
O=C(NCC1CC2CCC1N2C(=O)C1=CC(Cl)=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300030675013	0	42	-2.0	-107.10	372.45	1.64	-105.46
N#CC1=CC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)=C(N)[N-]C1=O	REAL300030675019	0	45	-2.0	-88.26	390.46	-0.92	-89.18
O=C(CN1N=CC(=O)[N-]C1=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675036	0	44	-2.0	-110.45	383.15	-2.76	-113.21
CC1=CC=C([O-])C(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300030675107	1	45	-2.0	-112.92	376.79	3.18	-109.74
O=C(CCC1=NNC(=O)[N-]1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675109	0	45	-2.0	-90.26	378.71	-1.24	-91.50
O=C(NCC1CC2CCC1N2C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300030675128	0	41	-2.0	-90.33	351.41	0.42	-89.91
O=C(NCC1CC2CCC1N2C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300030675139	0	43	-2.0	-121.33	366.83	3.13	-118.20
O=C(NCC1CC2CCC1N2C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300030675243	1	43	-2.0	-116.22	367.09	1.94	-114.28
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300030675368	0	40	-2.0	-96.88	343.43	-1.10	-97.98
C[PH](C)([O-])C(=O)C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030675374	0	45	-2.0	-98.29	376.53	0.00	-98.29
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030675482	0	43	-2.0	-113.79	368.37	2.44	-111.35
O=C(NCC1CC2CCC1N2C(=O)C1=NNC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030675511	0	39	-2.0	-101.13	338.01	-2.56	-103.69
O=C(NCC1CC2CCC1N2C(=O)C1=C(O)C=CC=C1Cl)C1=CC(=O)[N-]O1	REAL300030675515	0	43	-2.0	-112.22	383.31	2.60	-109.62
O=C(NCC1CC2CCC1N2C(=O)C1=C([O-])C=CC=C1Cl)C1=CC(=O)[N-]O1	REAL300030675515	1	43	-2.0	-112.22	383.31	2.60	-109.62
O=C(NCC1CC2CCC1N2C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300030675520	0	43	-2.0	-104.94	367.68	2.42	-102.52
O=C(NCC1CC2CCC1N2C(=O)C1=C(F)C=CC(O)=C1F)C1=CC(=O)[N-]O1	REAL300030675550	0	43	-2.0	-94.74	375.69	2.02	-92.72
O=C(NCC1CC2CCC1N2C(=O)C1=C(F)C=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300030675550	1	43	-2.0	-94.74	375.69	2.02	-92.72
O=C(NCC1CC2CCC1N2C(=O)C1=CC(F)=CC=C1O)C1=CC(=O)[N-]O1	REAL300030675712	0	43	-2.0	-97.55	361.34	3.08	-94.47
O=C(NCC1CC2CCC1N2C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030675712	1	43	-2.0	-97.55	361.34	3.08	-94.47
CC1=CC=NC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1O	REAL300030675779	0	45	-2.0	-101.52	371.39	3.13	-98.39
CC1=CC=NC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1[O-]	REAL300030675779	1	45	-2.0	-101.52	371.39	3.13	-98.39
O=C(NCC1CC2CCC1N2C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030675910	1	42	-2.0	-97.65	355.68	0.04	-97.61
O=C(NCC1CC2CCC1N2C(=O)C1=CC=CC(=S)N1[O-])C1=CC(=O)[N-]O1	REAL300030675920	0	43	-2.0	-139.48	383.25	3.03	-136.45
O=C(NCC1CC2CCC1N2C(=O)C1=CC=C([O-])C(Cl)=N1)C1=CC(=O)[N-]O1	REAL300030676048	0	42	-2.0	-91.39	373.61	1.36	-90.03
O=C(NCC1CC2CCC1N2C(=O)C1=CC=C([O-])C=C1Cl)C1=CC(=O)[N-]O1	REAL300030676094	1	43	-2.0	-96.49	375.58	2.37	-94.12
N#CC1=CC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)=C([O-])C=C1N	REAL300030676096	0	46	-2.0	-108.65	395.06	1.28	-107.37
O=C(CC1=NC([O-])=CS1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676106	0	42	-2.0	-111.16	373.52	-1.30	-112.46
O=C(NCC1CC2CCC1N2C(=O)C1=C([O-])C=CC=C1F)C1=CC(=O)[N-]O1	REAL300030676121	0	43	-2.0	-104.50	373.82	2.23	-102.27
O=C(CN1[N-]C(=O)C=CC1=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676123	0	45	-2.0	-103.52	389.03	-0.68	-104.20
O=C(NCC1CC2CCC1N2C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300030676125	0	43	-2.0	-106.72	366.81	3.32	-103.40
CC1=CC=C(F)C([O-])=C1C(=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676165	0	46	-2.0	-104.93	393.14	2.80	-102.13
O=C(CC1SC(=O)[N-]C1=O)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676240	0	43	-2.0	-92.28	381.14	-2.10	-94.38
O=C(NCC1CC2CCC1N2C(=O)C1=CC=C([O-])C(F)=C1F)C1=CC(=O)[N-]O1	REAL300030676266	0	43	-2.0	-103.25	373.92	2.04	-101.21
O=C(NCC1CC2CCC1N2C(=O)C1=CC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300030676273	0	43	-2.0	-115.26	376.63	3.62	-111.64
CC1=CC(=O)C(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300030676304	0	44	-2.0	-102.11	372.25	2.69	-99.42
O=C(C=C([O-])C1=CC=C(O)C=C1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030676308	0	48	-2.0	-104.86	399.62	2.16	-102.70
O=C(NCC1CC2CCC1N2C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300030676332	0	43	-2.0	-135.45	372.22	2.41	-133.04
N#CC1=CC=C(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030676365	0	43	-2.0	-89.33	377.40	0.25	-89.08
CN1N=C(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300030676420	0	42	-2.0	-104.40	360.77	-0.90	-105.30
[N-]=[N+]=NC1=CC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)=CC=C1[O-]	REAL300030676446	0	45	-2.0	-87.86	383.92	-0.50	-88.36
O=C(NCC1CC2CCC1N2C(=O)C1=C(F)C=CC(O)=C1O)C1=CC(=O)[N-]O1	REAL300030676482	0	44	-2.0	-99.82	379.77	0.20	-99.62
O=C(NCC1CC2CCC1N2C(=O)C1=C(F)C=CC(O)=C1[O-])C1=CC(=O)[N-]O1	REAL300030676482	1	44	-2.0	-99.82	379.77	0.20	-99.62
N#CC1=CC=C([O-])C(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030676492	0	44	-2.0	-94.40	375.77	3.44	-90.96
O=C(NCC1CC2CCC1N2C(=O)C1=CN([O-])C(=O)NC1=O)C1=CC(=O)[N-]O1	REAL300030676594	0	43	-2.0	-98.96	376.40	-0.09	-99.05
O=C(NCC1CC2CCC1N2C(=O)C1=CC=C(F)C(O)=C1)C1=CC(=O)[N-]O1	REAL300030676653	0	43	-2.0	-101.51	366.80	1.88	-99.63
O=C(NCC1CC2CCC1N2C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300030676653	1	43	-2.0	-101.51	366.80	1.88	-99.63
O=C(NCC1CC2CCC1N2C(=O)C1=CC=C(Cl)C=C1O)C1=CC(=O)[N-]O1	REAL300030676673	0	43	-2.0	-106.82	377.13	3.77	-103.05
O=C(NCC1CC2CCC1N2C(=O)C1=CC=C(Cl)C=C1[O-])C1=CC(=O)[N-]O1	REAL300030676673	1	43	-2.0	-106.82	377.13	3.77	-103.05
O=C(NCC1CC2CCC1N2C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300030676751	0	41	-2.0	-96.83	356.32	-3.61	-100.44
O=C(NCC1CC2CCC1N2C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030676751	1	41	-2.0	-92.80	356.90	-2.84	-95.64
O=C(NCC1CC2CCC1N2C(=O)C1=CC=C2N=NN([O-])C2=C1)C1=CC(=O)[N-]O1	REAL300030676772	0	45	-2.0	-102.02	382.98	0.88	-101.14
O=C(NCC1CC2CCC1N2C(=O)C1=C(Cl)C(=O)[N-]S1)C1=CC(=O)[N-]O1	REAL300030676803	0	39	-2.0	-89.10	353.96	-0.50	-89.60
NC1=NC=C(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030676821	1	43	-2.0	-97.69	367.50	-0.98	-98.67
CC1=C(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)[N-]C(=O)C(C#N)=C1	REAL300030676847	0	46	-2.0	-84.39	388.50	2.00	-82.39
O=C(NCC1CC2CCC1N2C(=O)C1=CC=C(F)C([O-])=C1F)C1=CC(=O)[N-]O1	REAL300030676864	0	43	-2.0	-115.28	373.99	2.02	-113.26
COC1=NC(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)=CC(=O)[N-]1	REAL300030676915	0	45	-2.0	-101.20	380.09	-2.76	-103.96
O=C(NCC1CC2CCC1N2C(=O)C1=CC=C2N[N-]N=C2C1=O)C1=CC(=O)[N-]O1	REAL300030676916	0	45	-2.0	-92.28	384.22	0.51	-91.77
O=C(NCC1CC2CCC1N2C(=O)C1=NC=CC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300030676926	0	42	-2.0	-107.46	371.71	3.11	-104.35
O=C(NCC1CC2CCC1N2C(=O)C1=CC=C(Cl)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300030676966	0	43	-2.0	-97.89	376.59	2.39	-95.50
O=C(NCC1CC2CCC1N2C(=O)C1=CC=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300030676976	0	42	-2.0	-113.72	355.65	1.36	-112.36
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300030676982	0	39	-2.0	-100.26	338.43	-0.94	-101.20
CC1=C([O-])N=C(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030677008	1	42	-2.0	-101.18	370.36	-0.50	-101.68
O=C(NCC1CC2CCC1N2C(=O)C(=O)C1=CC=C([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030677107	1	45	-2.0	-96.61	380.99	2.09	-94.52
O=C(NCC1CC2CCC1N2C(=O)C1=CN=C(C=N[O-])S1)C1=CC(=O)[N-]O1	REAL300030677133	0	42	-2.0	-99.32	371.67	-0.25	-99.57
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)C=C(Cl)[N-]1)C1=CC(=O)[N-]O1	REAL300030677158	1	42	-2.0	-92.93	373.25	2.38	-90.55
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030677183	0	43	-2.0	-95.42	373.71	-2.29	-97.71
CCN1[N-]C(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030677247	0	46	-2.0	-100.86	387.97	1.53	-99.33
CN1[N-]C(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030677269	0	43	-2.0	-99.91	366.24	0.60	-99.31
O=C(CSC1=NNC(=O)[N-]1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677281	0	43	-2.0	-97.41	384.09	-1.41	-98.82
O=C(CC1=CC(=O)N[N-]1)N1C2CCC1C(CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030677429	1	43	-2.0	-104.03	367.67	-0.59	-104.62
O=C(NCC1CC2CCC1N2C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300030677434	1	43	-2.0	-99.19	366.75	1.93	-97.26
O=C(NCC1CC2CCC1N2C(=O)C1=CC(F)=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300030677488	0	43	-2.0	-91.14	368.41	1.80	-89.34
O=C(NCC1CC2CCC1N2C(=O)C1=CC=NC(Cl)=C1[O-])C1=CC(=O)[N-]O1	REAL300030677494	0	42	-2.0	-112.11	371.79	1.66	-110.45
CC1=C(CC(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)N(C)[N-]1	REAL300030677509	0	49	-2.0	-103.91	410.67	1.81	-102.10
CC1=CN=C(C(=O)N2C3CCC2C(CNC(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300030677547	1	45	-2.0	-113.34	376.71	3.22	-110.12
O=C(NCC1CC2CCC1N2C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300030677572	0	40	-2.0	-108.18	350.61	0.72	-107.46
O=C(NCC1CC2CCC1N2C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300030677588	0	43	-2.0	-101.58	369.98	2.49	-99.09
O=C(NCC1CC2CCC1N2C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)NC1=O	REAL300030677623	0	43	-2.0	-96.74	369.36	0.31	-96.43
CC(NC(=O)C1=NNC(=O)[N-]C1=O)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678743	0	41	-2.0	-94.19	358.47	-7.29	-101.48
CC(NC(=O)CN1C(=O)[N-]NC1=O)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030678814	0	43	-2.0	-93.65	372.59	-5.63	-99.28
CC(NC(=O)C1=CN([O-])C(=O)C=C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679326	0	43	-2.0	-101.20	371.12	-1.16	-102.36
CC(NC(=O)C1=CC(=O)NC([O-])=C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679423	0	43	-2.0	-85.73	370.02	-6.05	-91.78
CC(NC(=O)C1=COC(=O)[N-]1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679434	1	39	-2.0	-85.79	343.66	-6.24	-92.03
CCN1[N-]C(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030679584	0	46	-2.0	-88.10	393.03	-2.60	-90.70
CC(NC(=O)CC1=CC(=O)N[N-]1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679591	1	43	-2.0	-94.66	369.17	-4.61	-99.27
CC(NC(=O)C1=CC=CC(=S)N1[O-])C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679606	0	43	-2.0	-118.07	379.67	0.86	-117.21
CC(NC(=O)CC1SC(=O)[N-]C1=O)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679615	0	43	-2.0	-86.07	382.29	-6.10	-92.17
CC(NC(=O)C1=NN(C)C(=O)[N-]1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679628	0	42	-2.0	-96.48	364.16	-5.01	-101.49
CC(NC(=O)C1=C[N-]N=CC1=O)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679708	0	41	-2.0	-84.48	351.14	-3.04	-87.52
CC(NC(=O)C1=CC(=O)N[N-]1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679799	0	40	-2.0	-89.05	348.50	-5.24	-94.29
CC(NC(=O)C(=O)[PH](C)(C)[O-])C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679803	0	45	-2.0	-88.63	381.11	-3.67	-92.30
CC(NC(=O)CCC1=NC(=O)NN1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679829	0	45	-2.0	-96.17	384.40	-5.59	-101.76
CC(NC(=O)CCC1=NC(=O)[N-]N1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679829	1	45	-2.0	-96.17	384.40	-5.59	-101.76
CC(NC(=O)C1=CC=CN([O-])C1=O)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679833	0	43	-2.0	-98.06	368.68	-1.04	-99.10
CC1=C([O-])N=C(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030679858	1	42	-2.0	-97.79	373.45	-5.09	-102.88
CC(NC(=O)C1=CC(=O)C=C(Cl)[N-]1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679870	1	42	-2.0	-87.08	377.07	-1.92	-89.00
CC(NC(=O)C1=CC(=O)N([O-])C=C1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679882	0	43	-2.0	-103.79	369.93	-1.15	-104.94
CC(NC(=O)C1=CC=CC(=O)N1[O-])C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030679913	0	43	-2.0	-114.74	368.56	-0.19	-114.93
CC(NC(=O)C[N-]C(=O)C(F)(F)F)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680020	0	42	-2.0	-86.35	377.04	-5.34	-91.69
CC(NC(=O)CC1=C([O-])N=C(N)S1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680021	0	44	-2.0	-103.21	389.81	-6.21	-109.42
CC(NC(=O)CC1=NC([O-])=CS1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680061	0	42	-2.0	-103.77	375.01	-5.33	-109.10
CCC1=NC=C(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030680075	1	47	-2.0	-84.93	393.60	-2.73	-87.66
CC(NC(=O)CN1N=CC(=O)[N-]C1=O)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680084	0	44	-2.0	-94.99	384.50	-6.77	-101.76
CC1=CC(=O)C(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030680268	0	44	-2.0	-94.72	375.63	-1.43	-96.15
CC(NC(=O)C1=NC(=O)N[N-]1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680281	0	39	-2.0	-91.00	341.51	-6.51	-97.51
CC(NC(=O)C1=CN=C(C=N[O-])S1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680372	0	42	-2.0	-97.31	383.86	-3.66	-100.97
COC1=NC(C(=O)NC(C)C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030680385	0	45	-2.0	-94.15	387.63	-7.20	-101.35
CC(NC(=O)C1=CC(=O)N(C)[N-]1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680522	0	43	-2.0	-93.02	369.73	-3.50	-96.52
CC(NC(=O)CSC1=NNC(=O)[N-]1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680529	0	43	-2.0	-89.59	385.46	-5.43	-95.02
CC(NC(=O)C1=NC(=O)[N-]C(=O)N1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680664	0	41	-2.0	-93.06	360.04	-8.27	-101.33
CC(NC(=O)C1=NC(=O)NC(=O)[N-]1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680664	1	41	-2.0	-87.43	360.66	-7.52	-94.95
CC(NC(=O)CN1[N-]C(=O)C=CC1=O)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030680790	0	45	-2.0	-92.09	390.49	-4.61	-96.70
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300030681042	1	42	-2.0	-109.41	358.55	-1.17	-110.58
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300030681168	0	41	-2.0	-98.59	358.16	-6.95	-105.54
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300030681333	0	43	-2.0	-101.14	377.21	-5.45	-106.59
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300030682727	1	43	-2.0	-106.64	379.34	-0.15	-106.79
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC([O-])=CC(C#N)=C2)C1	REAL300030682752	1	44	-2.0	-86.07	383.24	-1.72	-87.79
CCC1=NC=C(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030682837	1	47	-2.0	-93.82	402.80	-2.93	-96.75
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300030682856	1	39	-2.0	-85.75	343.29	-5.21	-90.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300030682923	0	42	-2.0	-84.47	381.74	-5.18	-89.65
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300030682924	0	44	-2.0	-102.98	392.66	-6.06	-109.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300030682934	0	43	-2.0	-83.71	384.83	-1.56	-85.27
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300030682949	1	43	-2.0	-88.12	372.51	-1.81	-89.93
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300030682955	0	42	-2.0	-86.01	368.15	-2.52	-88.53
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=C(C#N)C([O-])=C2)C1	REAL300030682962	1	44	-2.0	-94.56	381.49	-1.64	-96.20
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300030682965	0	42	-2.0	-89.42	377.37	-2.48	-91.90
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300030682983	0	44	-2.0	-105.41	387.50	-6.61	-112.02
CC1=CC=C([O-])C(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030683045	1	45	-2.0	-110.24	380.16	-0.58	-110.82
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CCC2=NNC(=O)[N-]2)C1	REAL300030683047	0	45	-2.0	-89.20	387.35	-4.89	-94.09
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300030683063	0	41	-2.0	-83.73	361.76	-3.29	-87.02
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300030683072	0	43	-2.0	-100.70	371.84	-0.97	-101.67
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300030683161	1	43	-2.0	-98.15	372.09	-1.89	-100.04
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300030683265	0	40	-2.0	-90.46	348.15	-4.96	-95.42
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300030683271	0	45	-2.0	-92.92	381.20	-3.57	-96.49
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300030683365	0	43	-2.0	-111.50	367.40	-1.48	-112.98
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300030683390	0	39	-2.0	-88.49	343.06	-5.74	-94.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=C(O)C=CC=C2Cl)C1	REAL300030683393	0	43	-2.0	-93.63	387.60	-1.25	-94.88
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300030683393	1	43	-2.0	-93.63	387.60	-1.25	-94.88
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300030683397	0	43	-2.0	-110.77	378.02	-1.14	-111.91
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300030683426	0	43	-2.0	-90.20	383.21	-1.63	-91.83
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300030683426	1	43	-2.0	-90.20	383.21	-1.63	-91.83
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300030683567	0	43	-2.0	-105.70	369.02	-0.58	-106.28
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300030683567	1	43	-2.0	-105.70	369.02	-0.58	-106.28
CC1=CC=NC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=C1O	REAL300030683631	0	45	-2.0	-107.73	380.14	-0.56	-108.29
CC1=CC=NC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300030683631	1	45	-2.0	-107.73	380.14	-0.56	-108.29
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CN=CC(O)=C2)C1	REAL300030683739	0	42	-2.0	-101.22	356.69	-3.87	-105.09
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300030683739	1	42	-2.0	-101.22	356.69	-3.87	-105.09
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300030683749	0	43	-2.0	-114.34	388.95	-0.74	-115.08
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300030683859	0	42	-2.0	-85.77	376.86	-2.35	-88.12
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300030683899	1	43	-2.0	-87.16	381.23	-1.37	-88.53
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300030683910	0	42	-2.0	-104.94	377.77	-5.18	-110.12
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300030683925	0	43	-2.0	-94.34	378.11	-1.63	-95.97
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300030683927	0	45	-2.0	-101.57	393.27	-4.51	-106.08
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300030683928	0	43	-2.0	-94.68	372.28	-0.93	-95.61
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC(O)(C(C)NC(=O)C2=CC(=O)[N-]O2)C1	REAL300030683961	0	46	-2.0	-105.39	396.42	-1.05	-106.44
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300030684027	0	43	-2.0	-91.92	384.13	-5.91	-97.83
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300030684052	0	43	-2.0	-89.92	378.38	-1.80	-91.72
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300030684058	0	43	-2.0	-95.68	381.64	-0.49	-96.17
CC1=CC(=O)C(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030684087	0	44	-2.0	-96.52	376.62	-1.15	-97.67
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300030684112	0	43	-2.0	-107.04	377.84	-1.37	-108.41
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=C(C#N)[N-]C2=O)C1	REAL300030684141	0	43	-2.0	-100.79	386.82	-3.44	-104.23
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300030684189	0	42	-2.0	-97.88	365.66	-4.79	-102.67
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300030684242	0	44	-2.0	-94.38	387.57	-3.54	-97.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300030684242	1	44	-2.0	-94.38	387.57	-3.54	-97.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC(C#N)=CC=C2[O-])C1	REAL300030684251	0	44	-2.0	-102.50	383.47	-0.25	-102.75
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300030684339	0	43	-2.0	-102.59	382.23	-3.72	-106.31
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300030684391	0	43	-2.0	-98.59	367.56	-2.01	-100.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300030684391	1	43	-2.0	-98.59	367.56	-2.01	-100.60
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=C(Cl)C=C2O)C1	REAL300030684409	0	43	-2.0	-94.61	382.59	-0.48	-95.09
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300030684409	1	43	-2.0	-94.61	382.59	-0.48	-95.09
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300030684478	0	41	-2.0	-88.77	361.06	-7.40	-96.17
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300030684478	1	41	-2.0	-85.84	361.57	-6.69	-92.53
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300030684535	1	43	-2.0	-92.06	376.23	-4.62	-96.68
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300030684569	0	43	-2.0	-97.72	378.33	-1.82	-99.54
COC1=NC(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030684612	0	45	-2.0	-89.05	386.92	-6.45	-95.50
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300030684622	0	42	-2.0	-93.52	375.99	-0.75	-94.27
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300030684660	0	43	-2.0	-94.70	377.36	-1.52	-96.22
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300030684669	0	42	-2.0	-94.72	360.73	-2.86	-97.58
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030684675	0	39	-2.0	-89.07	343.22	-4.77	-93.84
CC1=C([O-])N=C(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030684698	1	42	-2.0	-92.60	375.18	-4.32	-96.92
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300030684791	1	45	-2.0	-93.30	385.82	-1.70	-95.00
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300030684811	0	42	-2.0	-98.61	380.97	-3.83	-102.44
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300030684833	1	42	-2.0	-87.46	377.78	-1.44	-88.90
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300030684853	0	43	-2.0	-84.17	378.86	-6.07	-90.24
CCN1[N-]C(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030684914	0	46	-2.0	-94.49	392.70	-2.32	-96.81
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300030684933	0	43	-2.0	-93.40	370.89	-3.25	-96.65
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300030684943	0	43	-2.0	-89.42	388.33	-5.23	-94.65
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300030685073	1	43	-2.0	-93.89	372.00	-4.46	-98.35
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300030685078	1	43	-2.0	-92.52	367.52	-1.98	-94.50
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300030685125	0	43	-2.0	-95.03	374.73	-1.93	-96.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300030685130	0	42	-2.0	-93.30	376.68	-2.45	-95.75
CC1=C(CC(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300030685145	0	49	-2.0	-95.91	414.88	-2.06	-97.97
CC1=CN=C(C(=O)N2CCC(O)(C(C)NC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030685181	1	45	-2.0	-110.90	380.00	-0.53	-111.43
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CC([O-])=CS2)C1	REAL300030685203	0	40	-2.0	-104.99	354.01	-2.97	-107.96
CC(NC(=O)C1=CC(=O)[N-]O1)C1(O)CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300030685219	0	43	-2.0	-102.19	366.89	-1.51	-103.70
CC(NC(=O)C1=CN([O-])C(=O)NC1=O)C1(O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030685245	0	43	-2.0	-85.98	373.94	-3.55	-89.53
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2)C1=COC(=O)[N-]1	REAL300030685594	1	46	-2.0	-99.89	363.63	-3.19	-103.08
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2)C1=CC(=O)N[N-]1	REAL300030685666	0	47	-2.0	-98.29	368.20	-2.32	-100.61
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2)C1=NC(=O)N[N-]1	REAL300030685725	0	46	-2.0	-99.63	363.10	-3.50	-103.13
O=C(NC1CN(C(=O)C2=COC(=O)[N-]2)CCC12CCOCC2)C1=CC(=O)[N-]O1	REAL300030686143	1	46	-2.0	-93.21	363.23	-1.71	-94.92
O=C(NC1CN(C(=O)C2=CC(=O)N[N-]2)CCC12CCOCC2)C1=CC(=O)[N-]O1	REAL300030686200	0	47	-2.0	-98.34	368.05	-1.81	-100.15
O=C(NC1CN(C(=O)C2=NC(=O)N[N-]2)CCC12CCOCC2)C1=CC(=O)[N-]O1	REAL300030686213	0	46	-2.0	-94.97	362.87	-2.41	-97.38
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)CCC12CCOCC2)C1=CC(=O)[N-]O1	REAL300030686366	0	46	-2.0	-101.88	362.94	-1.84	-103.72
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CN=C(C3CC3)[N-]C1=O)C2	REAL300030686954	1	45	-2.0	-131.79	376.83	2.13	-129.66
O=C(CCCN1C(=O)[N-]NC1=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687720	0	46	-2.0	-108.89	382.44	0.26	-108.63
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030687979	0	44	-2.0	-106.86	370.17	-2.46	-109.32
CC(=O)[N-]C1=NC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)=CS1	REAL300030687980	1	42	-2.0	-102.20	361.23	1.53	-100.67
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030688170	1	45	-2.0	-103.55	375.89	1.68	-101.87
COC1=C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)NC(=O)[N-]C1=O	REAL300030688306	1	43	-2.0	-111.44	365.44	-2.80	-114.24
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300030688447	0	38	-2.0	-115.80	322.74	-2.47	-118.27
O=C(CN1C(=O)[N-]NC1=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030688580	0	40	-2.0	-119.81	339.73	-0.99	-120.80
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300030689601	0	40	-2.0	-137.57	340.47	3.27	-134.30
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300030689792	0	40	-2.0	-108.36	341.44	-1.58	-109.94
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=COC(=O)[N-]1)C2	REAL300030689806	1	36	-2.0	-99.15	306.15	-0.21	-99.36
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CN=C(C3CCC3)[N-]C1=O)C2	REAL300030689863	1	48	-2.0	-132.28	392.59	2.68	-129.60
CCN1[N-]C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030690069	0	43	-2.0	-111.11	355.60	2.36	-108.75
O=C(CC1=CC(=O)N[N-]1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690078	1	40	-2.0	-113.40	334.72	0.09	-113.31
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CC=CC(=S)N1[O-])C2	REAL300030690103	0	40	-2.0	-101.78	345.22	4.02	-97.76
O=C(CC1SC(=O)[N-]C1=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690121	0	40	-2.0	-111.84	347.83	-1.39	-113.23
CN1N=C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300030690140	0	39	-2.0	-116.53	328.57	-0.12	-116.65
CC1=C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)NC(C2CC2)=N1	REAL300030690259	0	48	-2.0	-135.45	394.45	2.91	-132.54
CC1=C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]C(C2CC2)=N1	REAL300030690259	1	48	-2.0	-135.45	394.45	2.91	-132.54
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=C[N-]N=CC1=O)C2	REAL300030690274	0	38	-2.0	-117.14	324.65	1.20	-115.94
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2	REAL300030690316	0	42	-2.0	-102.73	352.66	1.65	-101.08
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300030690429	0	37	-2.0	-106.72	310.69	-0.31	-107.03
C[PH](C)([O-])C(=O)C(=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690434	0	42	-2.0	-108.53	350.17	0.70	-107.83
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300030690485	0	40	-2.0	-107.86	334.46	3.13	-104.73
CSC1=NC=C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300030690506	0	42	-2.0	-131.90	367.06	1.05	-130.85
CSC1=NC=C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030690506	1	42	-2.0	-131.90	367.06	1.05	-130.85
CC1SC(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300030690532	0	39	-2.0	-113.03	337.68	0.49	-112.54
CC1=C([O-])N=C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030690532	1	39	-2.0	-113.03	337.68	0.49	-112.54
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CC(=O)C=C(Cl)N1)C2	REAL300030690556	0	39	-2.0	-102.75	341.19	3.20	-99.55
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2	REAL300030690556	1	39	-2.0	-102.75	341.19	3.20	-99.55
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300030690583	0	40	-2.0	-112.97	341.64	3.35	-109.62
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300030690650	0	40	-2.0	-103.03	334.12	3.41	-99.62
O=C(C[N-]C(=O)C(F)(F)F)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690851	0	39	-2.0	-109.47	344.37	-0.69	-110.16
NC1=NC([O-])=C(CC(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030690852	0	41	-2.0	-116.56	355.57	-1.53	-118.09
O=C(CC1=NC([O-])=CS1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690920	0	39	-2.0	-115.38	340.59	-0.61	-115.99
CCC1=NC=C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030690949	1	44	-2.0	-129.91	365.75	1.54	-128.37
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030690962	0	41	-2.0	-108.05	350.08	-2.09	-110.14
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=C(Cl)C(=O)[N-]S1)C2	REAL300030691051	0	36	-2.0	-111.16	327.07	0.33	-110.83
COCC1=NC=C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300030691178	0	45	-2.0	-105.68	371.76	-0.32	-106.00
COCC1=NC=C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030691178	1	45	-2.0	-105.68	371.76	-0.32	-106.00
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CN=C(CC3CC3)NC1=O)C2	REAL300030691191	0	48	-2.0	-130.17	396.67	3.13	-127.04
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CN=C(CC3CC3)[N-]C1=O)C2	REAL300030691191	1	48	-2.0	-130.17	396.67	3.13	-127.04
CC1=CC(=O)C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300030691290	0	41	-2.0	-112.94	339.75	3.39	-109.55
CN1N=CC2=C1[N-]C=C(C(=O)N1CC3CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C3)C2=O	REAL300030691296	0	45	-2.0	-119.46	378.28	3.01	-116.45
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300030691313	0	36	-2.0	-102.16	305.81	-0.91	-103.07
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1)C2	REAL300030691342	0	41	-2.0	-103.09	353.02	2.20	-100.89
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C2	REAL300030691342	1	41	-2.0	-103.09	353.02	2.20	-100.89
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CN=C(C=N[O-])S1)C2	REAL300030691493	0	39	-2.0	-117.89	347.08	0.72	-117.17
CN1[N-]C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030691758	0	40	-2.0	-109.90	333.79	1.43	-108.47
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CC=CC3=C1C(=O)NC3=O)C2	REAL300030691769	0	43	-2.0	-150.57	362.69	0.41	-150.16
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CC=CC3=C1C(=O)[N-]C3=O)C2	REAL300030691769	1	43	-2.0	-150.57	362.69	0.41	-150.16
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030691773	0	40	-2.0	-109.08	351.23	-0.65	-109.73
CC1=C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C(=S)NC(=O)N1	REAL300030691774	0	42	-2.0	-143.75	362.50	0.41	-143.34
CC1=C(C(=O)N2CC3CC(C2)N(C(=O)C2=CC(=O)[N-]O2)C3)C(=S)[N-]C(=O)N1	REAL300030691774	1	42	-2.0	-143.75	362.50	0.41	-143.34
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300030692009	0	38	-2.0	-100.32	325.05	-2.01	-102.33
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300030692009	1	38	-2.0	-100.32	325.05	-2.01	-102.33
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692095	0	42	-2.0	-106.25	361.08	-4.31	-110.56
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692095	1	42	-2.0	-106.25	361.08	-4.31	-110.56
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2CC(C1)N(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692256	0	42	-2.0	-119.81	355.85	0.01	-119.80
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=NC=CC=C1O)C2	REAL300030692514	0	39	-2.0	-128.67	322.53	3.29	-125.38
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=NC=CC=C1[O-])C2	REAL300030692514	1	39	-2.0	-128.67	322.53	3.29	-125.38
O=C(CCN1C=CNC(=O)C1=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692632	0	45	-2.0	-119.07	375.87	1.65	-117.42
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692632	1	45	-2.0	-119.07	375.87	1.65	-117.42
CC(=O)NC1=NC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CS1	REAL300030692645	0	42	-2.0	-103.95	360.82	1.39	-102.56
CC(=O)[N-]C1=NC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CS1	REAL300030692645	1	42	-2.0	-103.95	360.82	1.39	-102.56
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=NNC(=O)[N-]C1=O)C2	REAL300030692673	0	38	-2.0	-108.07	321.80	-2.60	-110.67
COC1=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)NC(=O)NC1=O	REAL300030692726	0	43	-2.0	-108.25	353.14	-1.24	-109.49
COC1=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)NC(=O)[N-]C1=O	REAL300030692726	1	43	-2.0	-108.25	353.14	-1.24	-109.49
O=C(CN1C(=O)[N-]NC1=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692898	0	40	-2.0	-107.87	339.61	-1.11	-108.98
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030692950	0	44	-2.0	-122.01	373.11	1.80	-120.21
O=C(CCCN1C(=O)[N-]NC1=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030693882	0	46	-2.0	-101.98	382.48	0.18	-101.80
O=C(C1=CN=C(C2CC2)[N-]C1=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030694094	1	45	-2.0	-108.67	376.50	2.21	-106.46
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030694925	0	44	-2.0	-100.92	370.17	-2.57	-103.49
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030694933	0	42	-2.0	-101.68	354.31	4.40	-97.28
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC(Cl)=CC=C1[O-])C2	REAL300030694949	1	40	-2.0	-106.88	346.56	3.50	-103.38
N#CC1=CC([O-])=CC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030694983	1	41	-2.0	-102.30	347.54	2.88	-99.42
NC1=CC=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1Cl	REAL300030695012	0	42	-2.0	-109.49	356.48	1.91	-107.58
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695065	0	42	-2.0	-106.25	353.78	5.01	-101.24
CCC1=NC=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030695097	1	44	-2.0	-124.61	365.73	1.57	-123.04
O=C(C1=COC(=O)[N-]1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695120	1	36	-2.0	-109.74	305.68	-0.80	-110.54
O=C(C[N-]C(=O)C(F)(F)F)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695223	0	39	-2.0	-103.82	344.40	-0.76	-104.58
NC1=NC([O-])=C(CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030695224	0	41	-2.0	-150.90	355.22	-1.62	-152.52
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC=C([O-])C=C1F)C2	REAL300030695251	1	40	-2.0	-102.41	336.48	2.72	-99.69
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC([O-])=C3SC=CC3=C1)C2	REAL300030695258	1	43	-2.0	-124.74	365.50	3.79	-120.95
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC([O-])=CC(=O)O1)C2	REAL300030695261	0	39	-2.0	-105.50	330.90	2.04	-103.46
N#CC1=CC=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C=C1[O-]	REAL300030695273	1	41	-2.0	-109.08	344.80	2.86	-106.22
O=C(C1=CC(Cl)=NC=C1[O-])N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695279	0	39	-2.0	-102.41	342.12	1.45	-100.96
N#CC1=CC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C(N)[N-]C1=O	REAL300030695282	0	42	-2.0	-108.46	362.35	-0.26	-108.72
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695298	0	41	-2.0	-134.98	349.91	-2.21	-137.19
CC1=CC=C([O-])C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300030695391	1	42	-2.0	-118.09	343.78	3.75	-114.34
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=C[N-]N=CC1=O)C2	REAL300030695417	0	38	-2.0	-112.20	324.37	1.25	-110.95
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC=CC(F)=C1[O-])C2	REAL300030695428	0	40	-2.0	-110.51	333.46	3.93	-106.58
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC=CC([O-])=C1F)C2	REAL300030695554	1	40	-2.0	-107.08	333.73	2.72	-104.36
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695629	0	42	-2.0	-110.04	350.64	4.22	-105.82
O=C(C1=CC(=O)N[N-]1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695694	0	37	-2.0	-105.45	310.89	-0.40	-105.85
C[PH](C)([O-])C(=O)C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695701	0	42	-2.0	-115.35	349.22	0.58	-114.77
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695729	0	45	-2.0	-124.70	379.02	4.18	-120.52
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CN=C(CC3CC3)NC1=O)C2	REAL300030695750	0	48	-2.0	-107.51	396.34	3.22	-104.29
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CN=C(CC3CC3)[N-]C1=O)C2	REAL300030695750	1	48	-2.0	-107.51	396.34	3.22	-104.29
COCC1=NC=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300030695767	0	45	-2.0	-124.06	378.66	-0.17	-124.23
COCC1=NC=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030695767	1	45	-2.0	-124.06	378.66	-0.17	-124.23
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC(=O)N([O-])C=C1)C2	REAL300030695821	0	40	-2.0	-126.15	341.32	3.45	-122.70
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC(F)=C(F)C([O-])=C1F)C2	REAL300030695857	0	40	-2.0	-102.28	346.40	2.80	-99.48
O=C(C1=NC(=O)N[N-]1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030695859	0	36	-2.0	-109.75	305.31	-1.38	-111.13
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC=CN([O-])C1=O)C2	REAL300030695871	0	40	-2.0	-146.33	340.76	3.38	-142.95
CC1=NC2=NC=C(C(=O)N3CC4CC3CN(C(=O)C3=CC(=O)[N-]O3)C4)C(=O)N2[N-]1	REAL300030695977	0	44	-2.0	-106.18	372.28	4.19	-101.99
NC1=CC(=O)[N-]C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300030696015	0	40	-2.0	-112.83	334.76	-0.74	-113.57
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC=C([O-])C(Cl)=C1)C2	REAL300030696085	0	40	-2.0	-105.73	340.62	2.99	-102.74
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC(F)=CC=C1[O-])C2	REAL300030696092	1	40	-2.0	-107.47	336.24	3.06	-104.41
CC1=CC=NC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1[O-]	REAL300030696180	1	42	-2.0	-117.21	342.51	3.85	-113.36
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696237	0	40	-2.0	-106.02	350.29	3.98	-102.04
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CN=CC([O-])=C1)C2	REAL300030696353	1	39	-2.0	-110.71	319.56	0.57	-110.14
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC=CC(=S)N1[O-])C2	REAL300030696366	0	40	-2.0	-111.24	351.50	3.85	-107.39
O=C(C1=CN=C(C2CCC2)[N-]C1=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696510	1	48	-2.0	-108.74	392.26	2.76	-105.98
NC1=CC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC([O-])=C1Cl	REAL300030696524	1	42	-2.0	-113.24	355.33	0.98	-112.26
O=C(C1=CC=C([O-])C(Cl)=N1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696528	0	39	-2.0	-102.33	340.82	2.11	-100.22
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC=C([O-])C=C1Cl)C2	REAL300030696596	1	40	-2.0	-102.41	345.09	3.13	-99.28
N#CC1=CC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C([O-])C=C1N	REAL300030696598	0	43	-2.0	-108.35	361.70	1.71	-106.64
O=C(CC1=NC([O-])=CS1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696609	0	39	-2.0	-141.66	340.40	-0.74	-142.40
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696632	0	42	-2.0	-121.15	355.67	-0.11	-121.26
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC=C(F)C=C1[O-])C2	REAL300030696635	0	40	-2.0	-105.03	336.23	3.07	-101.96
O=C(CC1SC(=O)[N-]C1=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696759	0	40	-2.0	-103.96	347.52	-1.52	-105.48
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC=C([O-])C(F)=C1F)C2	REAL300030696786	0	40	-2.0	-102.62	340.65	2.62	-100.00
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C2	REAL300030696790	1	41	-2.0	-102.06	356.93	1.37	-100.69
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC=CC(Cl)=C1[O-])C2	REAL300030696795	0	40	-2.0	-106.83	343.29	4.38	-102.45
CC1=CC(=O)C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300030696828	0	41	-2.0	-110.64	339.35	3.39	-107.25
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696833	0	45	-2.0	-118.94	371.94	3.00	-115.94
CN1N=CC2=C1[N-]C=C(C(=O)N1CC3CC1CN(C(=O)C1=CC(=O)[N-]O1)C3)C2=O	REAL300030696837	0	45	-2.0	-103.16	378.78	3.04	-100.12
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC=CC(=O)N1[O-])C2	REAL300030696863	0	40	-2.0	-112.64	340.39	3.22	-109.42
N#CC1=CC=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030696900	0	40	-2.0	-98.25	349.99	0.94	-97.31
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696901	0	42	-2.0	-104.96	361.17	-4.44	-109.40
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696901	1	42	-2.0	-108.80	361.01	-4.43	-113.23
O=C(C1=CC([O-])=CC=C1[N+](=O)[O-])N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030696930	0	42	-2.0	-108.41	355.96	4.10	-104.31
CN1N=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300030696971	0	39	-2.0	-112.67	328.04	-0.37	-113.04
[N-]=[N+]=NC1=CC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC=C1[O-]	REAL300030697006	0	42	-2.0	-100.98	356.29	0.41	-100.57
N#CC1=CC=C([O-])C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030697049	0	41	-2.0	-106.67	348.77	3.83	-102.84
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CN([O-])C(=O)NC1=O)C2	REAL300030697174	0	40	-2.0	-108.70	345.87	0.80	-107.90
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697213	0	40	-2.0	-102.96	350.50	3.97	-98.99
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC=C(F)C([O-])=C1)C2	REAL300030697240	1	40	-2.0	-112.48	330.86	2.46	-110.02
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=C([O-])C3=NC=CC=C3C=C1)C2	REAL300030697249	1	45	-2.0	-118.78	368.72	4.06	-114.72
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697253	0	42	-2.0	-100.20	357.98	3.67	-96.53
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697256	0	42	-2.0	-107.04	356.08	4.08	-102.96
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC=C(Cl)C=C1[O-])C2	REAL300030697267	1	40	-2.0	-105.56	346.54	3.52	-102.04
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697282	0	42	-2.0	-102.91	353.54	3.11	-99.80
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=NC(=O)[N-]C(=O)N1)C2	REAL300030697358	0	38	-2.0	-108.48	323.68	-2.89	-111.37
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=NC(=O)NC(=O)[N-]1)C2	REAL300030697358	1	38	-2.0	-103.32	324.35	-2.16	-105.48
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC=C3N=NN([O-])C3=C1)C2	REAL300030697390	0	42	-2.0	-115.50	346.80	1.37	-114.13
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=C([O-])C3=CC=CC=C3C=N1)C2	REAL300030697430	1	45	-2.0	-122.91	367.36	5.50	-117.41
O=C(C1=C(Cl)C(=O)[N-]S1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697431	0	36	-2.0	-105.60	326.08	0.45	-105.15
NC1=NC=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030697450	1	40	-2.0	-124.58	339.09	-0.08	-124.66
CC1=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)[N-]C(=O)C(C#N)=C1	REAL300030697484	0	43	-2.0	-105.86	360.19	2.83	-103.03
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC=C(F)C([O-])=C1F)C2	REAL300030697505	0	40	-2.0	-105.56	340.61	2.60	-102.96
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697565	0	40	-2.0	-103.40	348.82	3.14	-100.26
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C2	REAL300030697571	1	41	-2.0	-108.42	355.12	2.20	-106.22
COC1=NC(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC(=O)[N-]1	REAL300030697577	0	42	-2.0	-109.10	349.29	-2.01	-111.11
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC=C3N[N-]N=C3C1=O)C2	REAL300030697579	0	42	-2.0	-123.71	355.43	1.33	-122.38
O=C(C1=NC=CC(Cl)=C1[O-])N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697587	0	39	-2.0	-112.38	338.37	3.68	-108.70
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697593	1	43	-2.0	-105.19	371.94	4.13	-101.06
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC=C(Cl)C([O-])=C1)C2	REAL300030697630	0	40	-2.0	-110.65	340.67	2.97	-107.68
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC=NC=C1[O-])C2	REAL300030697640	0	39	-2.0	-105.65	325.02	1.06	-104.59
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697647	0	36	-2.0	-110.82	305.62	-0.34	-111.16
CC1=C([O-])N=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030697683	1	39	-2.0	-115.77	337.82	0.17	-115.60
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=C([O-])C3=CC=CC=C3C=C1)C2	REAL300030697754	1	46	-2.0	-115.12	373.01	5.76	-109.36
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC3=CC=CC=C3C=C1[O-])C2	REAL300030697762	1	46	-2.0	-114.21	374.08	5.71	-108.50
O=C(C(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([O-])C=C1	REAL300030697809	1	42	-2.0	-103.44	348.26	2.58	-100.86
O=C(C1=CN=C(C=N[O-])S1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030697840	0	39	-2.0	-113.34	343.33	0.62	-112.72
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC(=O)C=C(Cl)[N-]1)C2	REAL300030697872	1	39	-2.0	-101.09	340.50	3.11	-97.98
CSC1=NC=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030697896	1	42	-2.0	-126.29	367.04	1.08	-125.21
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC(=O)NC([O-])=C1)C2	REAL300030697904	0	40	-2.0	-105.20	341.72	-1.53	-106.73
CCN1[N-]C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030697984	0	43	-2.0	-109.14	355.44	2.24	-106.90
CN1[N-]C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030698003	0	40	-2.0	-108.22	333.62	1.31	-106.91
O=C(CSC1=NNC(=O)[N-]1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030698019	0	40	-2.0	-103.05	351.23	-0.76	-103.81
O=C(CC1=CC(=O)N[N-]1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030698175	1	40	-2.0	-124.79	334.55	-0.03	-124.82
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC=C([O-])C(F)=C1)C2	REAL300030698182	1	40	-2.0	-109.35	330.83	2.50	-106.85
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CC(F)=C([O-])C(F)=C1)C2	REAL300030698237	0	40	-2.0	-106.09	339.08	2.67	-103.42
O=C(C1=CC=NC(Cl)=C1[O-])N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030698242	0	39	-2.0	-102.69	341.43	1.49	-101.20
CC1=C(CC(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C(=O)N(C)[N-]1	REAL300030698260	0	46	-2.0	-106.24	377.42	2.37	-103.87
O=C(CCC(=O)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2)C1=CC=C([O-])C=C1	REAL300030698270	1	48	-2.0	-108.23	397.27	4.20	-104.03
CC1=CN=C(C(=O)N2CC3CC2CN(C(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300030698309	1	42	-2.0	-130.86	343.98	3.93	-126.93
O=C(C1=CC([O-])=CS1)N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030698344	0	37	-2.0	-113.11	317.48	1.57	-111.54
O=C(C1=CC(=O)[N-]O1)N1CC2CC(C1)N(C(=O)C1=CN([O-])C(=O)C=C1)C2	REAL300030698366	0	40	-2.0	-131.28	340.70	3.24	-128.04
O=C(C1=CC(F)=CC(Cl)=C1[O-])N1CC2CC1CN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030698372	0	40	-2.0	-103.70	349.88	4.32	-99.38
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CN([O-])C(=O)NC1=O)C2	REAL300030698419	0	40	-2.0	-108.58	338.08	0.59	-107.99
O=C(C1=CC(=O)[N-]O1)N1CC2CC1CN(C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C2	REAL300030698456	1	41	-2.0	-115.48	357.25	1.32	-114.16
O=C(NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=COC(=O)[N-]1	REAL300030699145	1	43	-2.0	-92.22	347.88	-4.84	-97.06
O=C(CC1=CC(=O)N[N-]1)NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030699216	1	47	-2.0	-94.98	375.78	-2.88	-97.86
CN1N=C(C(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)[N-]C1=O	REAL300030699222	0	46	-2.0	-94.59	372.34	-3.29	-97.88
O=C(NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=C[N-]N=CC1=O	REAL300030699251	0	45	-2.0	-86.90	359.32	-1.35	-88.25
O=C(NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CC(=O)N[N-]1	REAL300030699282	0	44	-2.0	-88.97	355.09	-3.50	-92.47
O=C(NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=NC(=O)N[N-]1	REAL300030699434	0	43	-2.0	-90.98	349.69	-4.80	-95.78
CN1[N-]C(C(=O)NC2(C3(O)CCN(C(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CC1=O	REAL300030699505	0	47	-2.0	-92.30	375.45	-2.13	-94.43
O=C(NC1(C2(O)CCN(C(=O)C3=NC=CC=C3[O-])CC2)CC1)C1=CC(=O)[N-]O1	REAL300030699846	1	46	-2.0	-104.56	369.56	-0.01	-104.57
O=C(NC1(C2(O)CCN(C(=O)C3=COC(=O)[N-]3)CC2)CC1)C1=CC(=O)[N-]O1	REAL300030700342	1	43	-2.0	-87.12	349.81	-3.03	-90.15
O=C(NC1(C2(O)CCN(C(=O)C3=C[N-]N=CC3=O)CC2)CC1)C1=CC(=O)[N-]O1	REAL300030700416	0	45	-2.0	-82.02	362.10	-1.66	-83.68
O=C(NC1(C2(O)CCN(C(=O)C3=CC(=O)N[N-]3)CC2)CC1)C1=CC(=O)[N-]O1	REAL300030700477	0	44	-2.0	-88.29	354.66	-3.12	-91.41
O=C(NC1(C2(O)CCN(C(=O)C3=NC(=O)N[N-]3)CC2)CC1)C1=CC(=O)[N-]O1	REAL300030700511	0	43	-2.0	-86.92	349.29	-3.73	-90.65
O=C(NC1(C2(O)CCN(C(=O)C3=CN=CC([O-])=C3)CC2)CC1)C1=CC(=O)[N-]O1	REAL300030700621	1	46	-2.0	-98.51	369.13	-2.06	-100.57
CN1N=C(C(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)[N-]C1=O	REAL300030700732	0	46	-2.0	-95.29	372.19	-2.94	-98.23
O=C(NC1(C2(O)CCN(C(=O)C3=CC=NC=C3[O-])CC2)CC1)C1=CC(=O)[N-]O1	REAL300030700865	0	46	-2.0	-105.60	369.87	-1.69	-107.29
O=C(NC1(C2(O)CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1)C1=CC(=O)[N-]O1	REAL300030700868	0	43	-2.0	-94.72	349.85	-3.02	-97.74
CN1[N-]C(C(=O)N2CCC(O)(C3(NC(=O)C4=CC(=O)[N-]O4)CC3)CC2)=CC1=O	REAL300030700957	0	47	-2.0	-91.98	377.71	-1.37	-93.35
O=C(CC1=CC(=O)N[N-]1)N1CCC(O)(C2(NC(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030701005	1	47	-2.0	-100.21	378.64	-2.71	-102.92
O=C(NC1(C2(O)CCN(C(=O)C3=CC([O-])=CS3)CC2)CC1)C1=CC(=O)[N-]O1	REAL300030701049	0	44	-2.0	-101.49	365.18	-1.21	-102.70
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300030702094	0	37	-2.0	-93.95	341.51	-4.56	-98.51
O=C(CN1C(=O)[N-]NC1=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702166	0	39	-2.0	-98.48	355.63	-2.92	-101.40
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300030702683	0	39	-2.0	-106.59	352.59	1.57	-105.02
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300030702785	0	39	-2.0	-86.87	353.05	-3.34	-90.21
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300030702796	1	35	-2.0	-85.54	324.33	-3.50	-89.04
O=C([N-]CC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300030702877	0	34	-2.0	-90.97	326.92	1.62	-89.35
CCN1[N-]C(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030702948	0	42	-2.0	-91.24	374.50	0.13	-91.11
O=C(CC1=CC(=O)N[N-]1)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030702955	1	39	-2.0	-100.88	350.62	-1.89	-102.77
CN1N=C(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030702986	0	38	-2.0	-94.44	347.28	-2.30	-96.74
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300030703064	0	37	-2.0	-94.78	326.06	1.35	-93.43
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300030703147	0	36	-2.0	-87.51	329.95	-2.51	-90.02
C[PH](C)([O-])C(=O)C(=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703152	0	41	-2.0	-88.21	362.92	-1.21	-89.42
O=C(CCC1=NC(=O)NN1)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703176	0	41	-2.0	-98.10	365.88	-2.84	-100.94
O=C(CCC1=NC(=O)[N-]N1)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703176	1	41	-2.0	-98.10	365.88	-2.84	-100.94
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300030703179	0	39	-2.0	-118.73	342.33	3.35	-115.38
CC1SC(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030703203	0	38	-2.0	-91.32	355.69	-2.38	-93.70
CC1=C([O-])N=C(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300030703203	1	38	-2.0	-91.32	355.69	-2.38	-93.70
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300030703232	0	39	-2.0	-106.41	352.96	1.56	-104.85
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300030703261	0	39	-2.0	-93.83	349.11	1.57	-92.26
O=C(CC1=NC([O-])=CS1)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030703408	0	38	-2.0	-110.46	356.47	-2.60	-113.06
CC1=CC(=O)C(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030703615	0	40	-2.0	-93.11	358.68	1.28	-91.83
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]1	REAL300030703627	0	35	-2.0	-90.46	323.64	-3.96	-94.42
CN1[N-]C(C(=O)NCC2CC(F)(F)CN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030703858	0	39	-2.0	-90.39	352.77	-0.80	-91.19
O=C([N-]CC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)F	REAL300030703935	1	34	-2.0	-91.88	319.36	1.47	-90.41
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300030703988	0	37	-2.0	-87.63	343.08	-5.57	-93.20
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300030703988	1	37	-2.0	-83.69	343.72	-4.81	-88.50
O=C(CN1[N-]C(=O)C=CC1=O)NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030704107	0	41	-2.0	-98.44	371.78	-1.93	-100.37
O=C(NCC1CC(F)(F)CN1C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030704359	1	38	-2.0	-101.52	341.89	1.46	-100.06
O=C(NCC1CC(F)(F)CN1C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300030704463	0	37	-2.0	-92.77	341.46	-4.32	-97.09
O=C(CN1C(=O)[N-]NC1=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030704582	0	39	-2.0	-96.10	358.43	-2.80	-98.90
N#CC1=CC([O-])=CC(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030705547	1	40	-2.0	-92.45	360.63	1.81	-90.64
O=C(NCC1CC(F)(F)CN1C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030705620	1	35	-2.0	-85.69	325.01	-2.35	-88.04
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300030705697	1	39	-2.0	-101.67	345.24	1.67	-100.00
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300030705702	0	38	-2.0	-86.92	349.13	0.24	-86.68
N#CC1=CC=C(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300030705706	1	40	-2.0	-93.12	360.73	2.00	-91.12
CC1=CC=C([O-])C(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030705767	1	41	-2.0	-103.38	363.20	2.04	-101.34
O=C(CCC1=NC(=O)[N-]N1)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705768	1	41	-2.0	-96.90	368.48	-2.71	-99.61
O=C(NCC1CC(F)(F)CN1C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300030705781	0	37	-2.0	-90.38	331.27	0.20	-90.18
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300030705787	0	39	-2.0	-120.65	344.80	2.98	-117.67
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300030705855	1	39	-2.0	-117.31	345.11	1.65	-115.66
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300030705927	0	36	-2.0	-87.57	329.70	-2.20	-89.77
C[PH](C)([O-])C(=O)C(=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030705932	0	41	-2.0	-86.14	363.17	-1.07	-87.21
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030705998	0	39	-2.0	-116.69	345.66	1.96	-114.73
O=C(NCC1CC(F)(F)CN1C(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300030706018	0	35	-2.0	-86.64	324.52	-2.99	-89.63
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300030706022	0	39	-2.0	-108.50	348.23	2.19	-106.31
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(F)=CC=C1O)C1=CC(=O)[N-]O1	REAL300030706140	0	39	-2.0	-110.03	344.94	3.00	-107.03
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030706140	1	39	-2.0	-110.03	344.94	3.00	-107.03
CC1=CC=NC(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1O	REAL300030706192	0	41	-2.0	-101.33	361.15	2.20	-99.13
CC1=CC=NC(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300030706192	1	41	-2.0	-101.33	361.15	2.20	-99.13
O=C(NCC1CC(F)(F)CN1C(=O)C1=CN=CC(O)=C1)C1=CC(=O)[N-]O1	REAL300030706268	0	38	-2.0	-105.76	335.34	-0.32	-106.08
O=C(NCC1CC(F)(F)CN1C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030706268	1	38	-2.0	-105.76	335.34	-0.32	-106.08
O=C(CC1=NC([O-])=CS1)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706394	0	38	-2.0	-111.68	359.10	-2.50	-114.18
O=C(CN1[N-]C(=O)C=CC1=O)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030706405	0	41	-2.0	-96.74	373.86	-1.82	-98.56
CC1=CC(=O)C(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030706516	0	40	-2.0	-91.60	358.65	1.56	-90.04
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300030706531	0	39	-2.0	-136.06	344.20	2.93	-133.13
N#CC1=CC=C(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030706548	0	39	-2.0	-92.60	359.24	-0.06	-92.66
CN1N=C(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030706577	0	38	-2.0	-93.83	347.49	-2.04	-95.87
N#CC1=CC=C(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030706613	0	40	-2.0	-111.23	359.38	3.33	-107.90
N#CC1=CC=C([O-])C(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030706619	0	40	-2.0	-106.32	359.40	3.33	-102.99
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300030706724	1	39	-2.0	-115.19	345.99	1.48	-113.71
O=C(NCC1CC(F)(F)CN1C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300030706782	0	37	-2.0	-87.86	343.01	-4.67	-92.53
O=C(NCC1CC(F)(F)CN1C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030706782	1	37	-2.0	-83.25	343.49	-3.85	-87.10
COC1=NC(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030706878	0	41	-2.0	-91.11	368.56	-3.67	-94.78
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC=NC=C1[O-])C1=CC(=O)[N-]O1	REAL300030706914	0	38	-2.0	-113.91	333.57	1.13	-112.78
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300030706919	0	35	-2.0	-90.13	324.87	-2.00	-92.13
CC1=C([O-])N=C(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030706934	1	38	-2.0	-91.98	356.63	-1.57	-93.55
O=C(NCC1CC(F)(F)CN1C(=O)C(=O)C1=CC=C([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030707009	1	41	-2.0	-90.60	366.42	0.99	-89.61
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030707051	0	39	-2.0	-96.77	346.69	-2.97	-99.74
CCN1[N-]C(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030707100	0	42	-2.0	-91.16	374.24	0.44	-90.72
CN1[N-]C(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030707112	0	39	-2.0	-89.46	351.63	-0.44	-89.90
O=C(CC1=CC(=O)N[N-]1)N1CC(F)(F)CC1CNC(=O)C1=CC(=O)[N-]O1	REAL300030707200	1	39	-2.0	-99.14	353.23	-1.75	-100.89
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300030707204	1	39	-2.0	-103.74	345.95	1.52	-102.22
CC1=C(CC(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300030707246	0	45	-2.0	-100.30	396.24	0.66	-99.64
CC1=CN=C(C(=O)N2CC(F)(F)CC2CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030707275	1	41	-2.0	-102.95	363.33	2.10	-100.85
O=C(NCC1CC(F)(F)CN1C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300030707291	0	36	-2.0	-110.66	331.95	0.43	-110.23
O=C(NCC1CC(F)(F)CN1C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300030707302	0	39	-2.0	-115.81	346.34	1.96	-113.85
NC(=O)C1(CNC(=O)C2=NNC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708596	0	38	-2.0	-97.12	351.43	-8.85	-105.97
NC(=O)C1(CNC(=O)CN2C(=O)[N-]NC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030708687	0	40	-2.0	-96.16	365.90	-7.34	-103.50
NC(=O)C1(CNC(=O)C2=CN([O-])C(=O)C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709313	0	40	-2.0	-110.14	363.29	-2.84	-112.98
NC(=O)C1(CNC(=O)C2=CC(=O)NC([O-])=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709433	0	40	-2.0	-98.52	363.76	-7.75	-106.27
NC(=O)C1(CNC(=O)C2=COC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709444	1	36	-2.0	-93.01	335.05	-7.78	-100.79
NC(=O)C1(C[N-]C(=O)C(F)(F)C(F)(F)F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709538	1	35	-2.0	-81.15	337.19	-2.92	-84.07
CCN1[N-]C(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030709620	0	43	-2.0	-100.31	385.46	-4.25	-104.56
NC(=O)C1(CNC(=O)CC2=CC(=O)N[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709628	1	40	-2.0	-98.22	361.98	-6.28	-104.50
NC(=O)C1(CNC(=O)C2=CC=CC(=S)N2[O-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709646	0	40	-2.0	-121.26	369.79	-0.73	-121.99
NC(=O)C1(CNC(=O)CC2SC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709656	0	40	-2.0	-94.00	373.66	-7.64	-101.64
CN1N=C(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030709672	0	39	-2.0	-98.47	357.48	-6.72	-105.19
NC(=O)C1(CNC(=O)C2=C[N-]N=CC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709763	0	38	-2.0	-94.15	344.88	-4.74	-98.89
NC(=O)C1(CNC(=O)C2=CC(=O)N[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709870	0	37	-2.0	-98.02	340.66	-6.92	-104.94
C[PH](C)([O-])C(=O)C(=O)NCC1(C(N)=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709875	0	42	-2.0	-101.52	373.87	-5.47	-106.99
CN1[N-]C(CC(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030709878	0	43	-2.0	-101.13	383.72	-4.58	-105.71
NC(=O)C1(CNC(=O)CCC2=NC(=O)[N-]N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709903	1	42	-2.0	-105.50	376.15	-7.26	-112.76
NC(=O)C1(CNC(=O)C2=CC=CN([O-])C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709907	0	40	-2.0	-110.52	360.33	-2.69	-113.21
CC1=C([O-])N=C(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030709936	1	39	-2.0	-111.18	367.20	-6.78	-117.96
NC(=O)C1(CNC(=O)C2=CC(=O)C=C(Cl)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709950	1	39	-2.0	-89.53	370.02	-3.51	-93.04
NC(=O)C1(CNC(=O)C2=CC(=O)N([O-])C=C2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030709969	0	40	-2.0	-110.16	364.21	-2.73	-112.89
NC(=O)C1(CNC(=O)C2=CC=CC(=O)N2[O-])CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710004	0	40	-2.0	-118.06	358.68	-1.78	-119.84
NC(=O)C1(CNC(=O)C[N-]C(=O)C(F)(F)F)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710133	0	39	-2.0	-91.12	370.35	-7.05	-98.17
NC(=O)C1(CNC(=O)CC2=C([O-])N=C(N)S2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710134	0	41	-2.0	-107.75	382.64	-7.85	-115.60
NC(=O)C1(CNC(=O)CC2=NC([O-])=CS2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710182	0	39	-2.0	-109.53	366.74	-7.02	-116.55
CCC1=NC=C(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030710200	1	44	-2.0	-102.54	386.10	-3.24	-105.78
NC(=O)C1(CNC(=O)CN2N=CC(=O)[N-]C2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710209	0	41	-2.0	-108.47	377.21	-8.31	-116.78
CC1=CC(=O)C(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030710428	0	41	-2.0	-97.52	368.59	-2.99	-100.51
NC(=O)C1(CNC(=O)C2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710443	0	36	-2.0	-96.06	334.72	-8.39	-104.45
NC(=O)C1(CNC(=O)C2=CN=C(C=N[O-])S2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710560	0	39	-2.0	-105.56	375.60	-5.35	-110.91
COC1=NC(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030710575	0	42	-2.0	-95.93	380.95	-8.92	-104.85
CN1[N-]C(C(=O)NCC2(C(N)=O)CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030710736	0	40	-2.0	-99.76	363.74	-5.19	-104.95
NC(=O)C1(CNC(=O)CSC2=NNC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710743	0	40	-2.0	-97.46	377.21	-7.11	-104.57
NC(=O)C1(CNC(=O)C2=NC(=O)[N-]C(=O)N2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710905	0	38	-2.0	-100.13	353.35	-9.99	-110.12
NC(=O)C1(CNC(=O)C2=NC(=O)NC(=O)[N-]2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030710905	1	38	-2.0	-91.71	353.99	-9.24	-100.95
NC(=O)C1(CNC(=O)CN2[N-]C(=O)C=CC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030711056	0	42	-2.0	-101.46	382.98	-6.21	-107.67
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=CC=C2[O-])C1	REAL300030711309	1	39	-2.0	-112.79	351.15	-3.18	-115.97
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300030711436	0	38	-2.0	-100.36	350.87	-8.68	-109.04
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300030711608	0	40	-2.0	-106.73	367.82	-7.21	-113.94
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1	REAL300030713029	1	40	-2.0	-108.16	371.18	-1.47	-109.63
N#CC1=CC([O-])=CC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)=C1	REAL300030713054	1	41	-2.0	-88.41	375.23	-3.21	-91.62
CCC1=NC=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C(=O)[N-]1	REAL300030713142	1	44	-2.0	-101.10	394.08	-4.67	-105.77
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=COC(=O)[N-]2)C1	REAL300030713161	1	36	-2.0	-90.26	334.74	-7.22	-97.48
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C[N-]C(=O)C(F)(F)F)C1	REAL300030713231	0	39	-2.0	-96.68	372.28	-6.93	-103.61
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=C([O-])N=C(N)S2)C1	REAL300030713232	0	41	-2.0	-110.76	384.57	-7.74	-118.50
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1	REAL300030713242	0	40	-2.0	-97.24	376.43	-3.32	-100.56
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300030713257	1	40	-2.0	-100.72	362.17	-3.60	-104.32
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300030713263	0	39	-2.0	-91.74	359.61	-4.08	-95.82
N#CC1=CC=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C=C1[O-]	REAL300030713270	1	41	-2.0	-107.02	373.25	-3.26	-110.28
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1	REAL300030713273	0	39	-2.0	-105.58	365.83	-3.47	-109.05
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2N=CC(=O)[N-]C2=O)C1	REAL300030713291	0	41	-2.0	-100.88	379.26	-8.32	-109.20
CC1=CC=C([O-])C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)=N1	REAL300030713354	1	42	-2.0	-111.48	372.88	-2.45	-113.93
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CCC2=NC(=O)[N-]N2)C1	REAL300030713356	1	42	-2.0	-106.89	378.36	-6.99	-113.88
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300030713372	0	38	-2.0	-101.20	340.43	-3.93	-105.13
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300030713381	0	40	-2.0	-120.53	360.92	-2.02	-122.55
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300030713477	1	40	-2.0	-115.32	361.14	-3.57	-118.89
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300030713585	0	37	-2.0	-95.40	339.51	-6.77	-102.17
C[PH](C)([O-])C(=O)C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030713591	0	42	-2.0	-97.48	372.90	-5.60	-103.08
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300030713687	0	40	-2.0	-111.64	361.40	-3.17	-114.81
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NNC(=O)[N-]2)C1	REAL300030713712	0	36	-2.0	-99.53	334.12	-8.23	-107.76
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(O)C=CC=C2Cl)C1	REAL300030713715	0	40	-2.0	-107.35	378.16	-2.87	-110.22
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=CC=C2Cl)C1	REAL300030713715	1	40	-2.0	-107.35	378.16	-2.87	-110.22
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300030713719	0	40	-2.0	-125.62	367.07	-2.87	-128.49
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC(O)=C2F)C1	REAL300030713748	0	40	-2.0	-100.95	374.87	-3.21	-104.16
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1	REAL300030713748	1	40	-2.0	-100.95	374.87	-3.21	-104.16
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(Cl)=C2)C1	REAL300030713887	0	40	-2.0	-98.46	371.39	-3.15	-101.61
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300030713892	1	40	-2.0	-107.18	360.87	-1.92	-109.10
CC1=CC=NC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)=C1[O-]	REAL300030713957	1	42	-2.0	-110.51	371.59	-2.35	-112.86
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300030714072	1	39	-2.0	-103.21	349.34	-5.50	-108.71
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300030714082	0	40	-2.0	-138.34	368.55	-1.04	-139.38
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1	REAL300030714194	0	39	-2.0	-90.01	369.46	-4.39	-94.40
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300030714236	1	40	-2.0	-99.71	370.34	-3.14	-102.85
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=NC([O-])=CS2)C1	REAL300030714247	0	39	-2.0	-120.05	368.67	-6.89	-126.94
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C([O-])C=CC=C2F)C1	REAL300030714262	0	40	-2.0	-104.85	368.66	-3.25	-108.10
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CN2[N-]C(=O)C=CC2=O)C1	REAL300030714264	0	42	-2.0	-100.87	385.03	-6.21	-107.08
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(F)C=C2[O-])C1	REAL300030714265	0	40	-2.0	-106.66	361.91	-2.07	-108.73
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(CNC(=O)C2=CC(=O)[N-]O2)(C(N)=O)C1	REAL300030714302	0	43	-2.0	-106.12	387.93	-2.63	-108.75
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2SC(=O)[N-]C2=O)C1	REAL300030714371	0	40	-2.0	-94.94	375.76	-7.66	-102.60
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300030714396	0	40	-2.0	-103.02	367.59	-3.51	-106.53
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300030714403	0	40	-2.0	-114.62	370.72	-1.55	-116.17
CC1=CC(=O)C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)=N[N-]1	REAL300030714432	0	41	-2.0	-101.32	367.92	-2.96	-104.28
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300030714457	0	40	-2.0	-135.05	357.44	-2.08	-137.13
N#CC1=CC=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C(=O)[N-]1	REAL300030714487	0	40	-2.0	-101.15	377.86	-5.03	-106.18
CN1N=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)[N-]C1=O	REAL300030714536	0	39	-2.0	-101.85	358.43	-6.54	-108.39
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC(O)=C2O)C1	REAL300030714589	0	41	-2.0	-107.85	379.25	-5.11	-112.96
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1	REAL300030714589	1	41	-2.0	-107.85	379.25	-5.11	-112.96
N#CC1=CC=C([O-])C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)=C1	REAL300030714598	0	41	-2.0	-104.00	375.29	-1.56	-105.56
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300030714692	0	40	-2.0	-103.43	364.85	-4.43	-107.86
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300030714745	0	40	-2.0	-106.22	361.64	-3.68	-109.90
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300030714745	1	40	-2.0	-106.22	361.64	-3.68	-109.90
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(Cl)C=C2O)C1	REAL300030714764	0	40	-2.0	-106.56	372.23	-1.61	-108.17
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300030714764	1	40	-2.0	-106.56	372.23	-1.61	-108.17
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300030714834	0	38	-2.0	-92.58	353.85	-9.48	-102.06
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300030714834	1	38	-2.0	-94.78	353.50	-8.60	-103.38
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300030714894	1	40	-2.0	-108.83	365.21	-6.30	-115.13
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300030714929	0	40	-2.0	-114.83	367.55	-3.54	-118.37
COC1=NC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)=CC(=O)[N-]1	REAL300030714974	0	42	-2.0	-100.02	380.05	-8.47	-108.49
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1	REAL300030714984	0	39	-2.0	-106.73	367.43	-2.53	-109.26
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300030715022	0	40	-2.0	-102.45	371.44	-3.18	-105.63
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=NC=C2[O-])C1	REAL300030715031	0	39	-2.0	-113.58	346.85	-3.81	-117.39
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030715037	0	36	-2.0	-96.03	334.62	-6.30	-102.33
CC1=C([O-])N=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)S1	REAL300030715060	1	39	-2.0	-96.00	367.68	-6.34	-102.34
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1	REAL300030715154	1	42	-2.0	-97.40	377.35	-3.52	-100.92
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN=C(C=N[O-])S2)C1	REAL300030715175	0	39	-2.0	-106.82	372.99	-5.48	-112.30
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300030715199	1	39	-2.0	-91.41	370.72	-3.33	-94.74
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300030715221	0	40	-2.0	-97.92	361.53	-8.06	-105.98
CCN1[N-]C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)=CC1=O	REAL300030715282	0	43	-2.0	-99.30	384.05	-4.13	-103.43
CN1[N-]C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)=CC1=O	REAL300030715303	0	40	-2.0	-98.42	362.32	-5.07	-103.49
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CSC2=NNC(=O)[N-]2)C1	REAL300030715313	0	40	-2.0	-97.57	379.41	-6.83	-104.40
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300030715449	1	40	-2.0	-108.19	362.81	-6.17	-114.36
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300030715454	1	40	-2.0	-102.20	361.59	-3.64	-105.84
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300030715501	0	40	-2.0	-102.21	367.81	-3.57	-105.78
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1	REAL300030715506	0	39	-2.0	-111.48	365.14	-3.45	-114.93
CC1=C(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C(=O)N(C)[N-]1	REAL300030715521	0	46	-2.0	-103.75	405.98	-3.64	-107.39
CC1=CN=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)(C(N)=O)C2)C([O-])=C1	REAL300030715557	1	42	-2.0	-114.26	372.60	-2.55	-116.81
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CC([O-])=CS2)C1	REAL300030715580	0	37	-2.0	-106.53	346.77	-4.65	-111.18
NC(=O)C1(CNC(=O)C2=CC(=O)[N-]O2)CN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300030715596	0	40	-2.0	-111.82	359.38	-3.05	-114.87
NC(=O)C1(CNC(=O)C2=CN([O-])C(=O)NC2=O)CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030715625	0	40	-2.0	-103.10	366.51	-4.08	-107.18
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CN=C(C2CC2)[N-]C1=O	REAL300030716110	1	48	-2.0	-94.32	392.20	1.56	-92.76
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=NNC(=O)[N-]C1=O	REAL300030717077	0	41	-2.0	-91.82	350.41	-3.84	-95.66
O=C(CN1C(=O)[N-]NC1=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030717179	0	43	-2.0	-93.00	364.92	-2.13	-95.13
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CN([O-])C(=O)C=C1	REAL300030717886	0	43	-2.0	-104.39	361.72	2.33	-102.06
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC(=O)NC([O-])=C1	REAL300030718017	0	43	-2.0	-86.23	362.35	-2.55	-88.78
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=COC(=O)[N-]1	REAL300030718028	1	39	-2.0	-86.94	334.02	-2.76	-89.70
O=C([N-]C1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C(F)(F)C(F)(F)F	REAL300030718131	1	38	-2.0	-82.32	337.58	1.14	-81.18
CCN1[N-]C(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=CC1=O	REAL300030718221	0	46	-2.0	-91.22	380.59	1.09	-90.13
O=C(CC1=CC(=O)N[N-]1)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030718229	1	43	-2.0	-96.77	359.50	-1.13	-97.90
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=CC(=S)N1[O-]	REAL300030718249	0	43	-2.0	-114.57	367.47	4.55	-110.02
O=C(CC1SC(=O)[N-]C1=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030718260	0	43	-2.0	-87.46	373.08	-2.58	-90.04
CN1N=C(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)[N-]C1=O	REAL300030718277	0	42	-2.0	-93.76	353.53	-1.34	-95.10
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=C[N-]N=CC1=O	REAL300030718374	0	41	-2.0	-84.79	340.22	0.60	-84.19
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=C2N=NN([O-])C2=C1	REAL300030718410	0	45	-2.0	-101.17	375.56	1.79	-99.38
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC(=O)N[N-]1	REAL300030718495	0	40	-2.0	-88.40	336.05	-1.55	-89.95
C[PH](C)([O-])C(=O)C(=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030718500	0	45	-2.0	-87.84	368.90	-0.23	-88.07
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=CN([O-])C1=O	REAL300030718537	0	43	-2.0	-99.75	359.24	2.52	-97.23
CC1SC(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=NC1=O	REAL300030718572	0	42	-2.0	-93.34	365.62	-1.66	-95.00
CC1=C([O-])N=C(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)S1	REAL300030718572	1	42	-2.0	-93.34	365.62	-1.66	-95.00
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC(=O)C=C(Cl)N1	REAL300030718586	0	42	-2.0	-83.73	369.00	1.53	-82.20
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC(=O)C=C(Cl)[N-]1	REAL300030718586	1	42	-2.0	-83.73	369.00	1.53	-82.20
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC(=O)N([O-])C=C1	REAL300030718606	0	43	-2.0	-102.34	359.18	2.51	-99.83
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC=CC(=O)N1[O-]	REAL300030718649	0	43	-2.0	-112.37	356.36	3.51	-108.86
NC1=NC([O-])=C(CC(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)S1	REAL300030718788	0	44	-2.0	-103.72	380.53	-2.68	-106.40
O=C(CC1=NC([O-])=CS1)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030718840	0	42	-2.0	-106.49	365.35	-1.85	-108.34
CCC1=NC=C(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)C(=O)[N-]1	REAL300030718861	1	47	-2.0	-86.75	384.13	0.81	-85.94
O=C(CN1N=CC(=O)[N-]C1=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030718872	0	44	-2.0	-96.18	375.21	-3.25	-99.43
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=C(Cl)C(=O)[N-]S1	REAL300030718937	0	39	-2.0	-87.67	356.86	-0.43	-88.10
CC1=CC(=O)C(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=N[N-]1	REAL300030719112	0	44	-2.0	-91.88	364.76	2.23	-89.65
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=NC(=O)N[N-]1	REAL300030719128	0	39	-2.0	-91.05	330.59	-2.86	-93.91
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CN=C(C=N[O-])S1	REAL300030719262	0	42	-2.0	-98.94	374.44	-0.13	-99.07
COC1=NC(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=CC(=O)[N-]1	REAL300030719278	0	45	-2.0	-90.76	380.21	-3.70	-94.46
CN1[N-]C(C(=O)NC2CCC3CN(C(=O)C4=CC(=O)[N-]O4)CC32)=CC1=O	REAL300030719457	0	43	-2.0	-90.65	358.78	0.16	-90.49
O=C(CSC1=NNC(=O)[N-]1)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030719465	0	43	-2.0	-91.09	372.89	-1.72	-92.81
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=NC(=O)[N-]C(=O)N1	REAL300030719640	0	41	-2.0	-94.69	349.17	-4.60	-99.29
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=NC(=O)NC(=O)[N-]1	REAL300030719640	1	41	-2.0	-83.80	352.62	-4.06	-87.86
O=C(CN1[N-]C(=O)C=CC1=O)NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21	REAL300030719809	0	45	-2.0	-94.45	380.98	-1.15	-95.60
O=C(NC1CCC2CN(C(=O)C3=NC=CC=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300030720063	1	42	-2.0	-104.72	350.51	2.30	-102.42
O=C(NC1CCC2CN(C(=O)C3=NNC(=O)[N-]C3=O)CC21)C1=CC(=O)[N-]O1	REAL300030720198	0	41	-2.0	-94.09	350.10	-3.48	-97.57
O=C(CN1C(=O)[N-]NC1=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030720391	0	43	-2.0	-105.25	364.75	-1.06	-106.31
O=C(NC1CCC2CN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)CC21)C1=CC(=O)[N-]O1	REAL300030721355	1	48	-2.0	-105.49	390.29	1.75	-103.74
O=C(NC1CCC2CN(C(=O)C3=CC(Cl)=CC=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300030722043	1	43	-2.0	-100.15	372.41	3.23	-96.92
N#CC1=CC([O-])=CC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C1	REAL300030722070	1	44	-2.0	-92.78	374.83	2.13	-90.65
CCC1=NC=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C(=O)[N-]1	REAL300030722169	1	47	-2.0	-96.60	387.14	0.42	-96.18
O=C(NC1CCC2CN(C(=O)C3=COC(=O)[N-]3)CC21)C1=CC(=O)[N-]O1	REAL300030722189	1	39	-2.0	-86.50	333.75	-1.51	-88.01
O=C(C[N-]C(=O)C(F)(F)F)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722266	0	42	-2.0	-88.53	371.97	-1.78	-90.31
NC1=NC([O-])=C(CC(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)S1	REAL300030722267	0	44	-2.0	-111.08	380.29	-2.35	-113.43
O=C(NC1CCC2CN(C(=O)C3=C(F)C=C([O-])C=C3F)CC21)C1=CC(=O)[N-]O1	REAL300030722277	0	43	-2.0	-86.36	375.49	1.83	-84.53
O=C(NC1CCC2CN(C(=O)C3=CC=C([O-])C=C3F)CC21)C1=CC(=O)[N-]O1	REAL300030722293	1	43	-2.0	-97.98	358.90	2.55	-95.43
O=C(NC1CCC2CN(C(=O)C3=CC([O-])=CC(=O)O3)CC21)C1=CC(=O)[N-]O1	REAL300030722299	0	42	-2.0	-87.04	358.84	1.00	-86.04
N#CC1=CC=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C=C1[O-]	REAL300030722308	1	44	-2.0	-94.85	376.81	1.97	-92.88
O=C(NC1CCC2CN(C(=O)C3=CC(Cl)=NC=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300030722312	0	42	-2.0	-95.80	368.23	1.36	-94.44
N#CC1=CC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C(N)[N-]C1=O	REAL300030722318	0	45	-2.0	-87.41	391.08	-1.14	-88.55
O=C(CN1N=CC(=O)[N-]C1=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722335	0	44	-2.0	-108.21	375.08	-2.18	-110.39
CC1=CC=C([O-])C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=N1	REAL300030722406	1	45	-2.0	-105.34	372.41	2.90	-102.44
O=C(CCC1=NNC(=O)[N-]1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722408	0	45	-2.0	-91.91	378.53	-1.36	-93.27
O=C(NC1CCC2CN(C(=O)C3=C[N-]N=CC3=O)CC21)C1=CC(=O)[N-]O1	REAL300030722427	0	41	-2.0	-87.99	344.59	0.08	-87.91
O=C(NC1CCC2CN(C(=O)C3=CC=CC(F)=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300030722438	0	43	-2.0	-108.86	361.94	2.77	-106.09
O=C(NC1CCC2CN(C(=O)C3=CC=CC([O-])=C3F)CC21)C1=CC(=O)[N-]O1	REAL300030722542	1	43	-2.0	-103.89	362.18	1.56	-102.33
O=C(NC1CCC2CN(C(=O)C3=CC(=O)N[N-]3)CC21)C1=CC(=O)[N-]O1	REAL300030722667	0	40	-2.0	-87.73	339.19	-1.37	-89.10
C[PH](C)([O-])C(=O)C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030722673	0	45	-2.0	-97.38	374.60	0.67	-96.71
O=C(NC1CCC2CN(C(=O)C3=CC(=O)N([O-])C=C3)CC21)C1=CC(=O)[N-]O1	REAL300030722781	0	43	-2.0	-101.53	366.34	2.54	-98.99
O=C(NC1CCC2CN(C(=O)C3=NNC(=O)[N-]3)CC21)C1=CC(=O)[N-]O1	REAL300030722810	0	39	-2.0	-94.54	330.56	-2.73	-97.27
O=C(NC1CCC2CN(C(=O)C3=C(O)C=CC=C3Cl)CC21)C1=CC(=O)[N-]O1	REAL300030722814	0	43	-2.0	-98.68	378.78	2.27	-96.41
O=C(NC1CCC2CN(C(=O)C3=C([O-])C=CC=C3Cl)CC21)C1=CC(=O)[N-]O1	REAL300030722814	1	43	-2.0	-98.68	378.78	2.27	-96.41
O=C(NC1CCC2CN(C(=O)C3=CC=CN([O-])C3=O)CC21)C1=CC(=O)[N-]O1	REAL300030722819	0	43	-2.0	-112.87	362.52	2.14	-110.73
O=C(NC1CCC2CN(C(=O)C3=C(F)C=CC([O-])=C3F)CC21)C1=CC(=O)[N-]O1	REAL300030722849	1	43	-2.0	-93.90	375.82	1.86	-92.04
NC1=CC(=O)[N-]C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=N1	REAL300030722947	0	43	-2.0	-101.29	359.39	-1.59	-102.88
O=C(NC1CCC2CN(C(=O)C3=CC=C([O-])C(Cl)=C3)CC21)C1=CC(=O)[N-]O1	REAL300030723006	0	43	-2.0	-92.91	365.86	2.17	-90.74
O=C(NC1CCC2CN(C(=O)C3=CC(F)=CC=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300030723011	1	43	-2.0	-99.37	362.10	2.79	-96.58
CC1=CC=NC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C1[O-]	REAL300030723078	1	45	-2.0	-104.63	370.85	2.98	-101.65
O=C(NC1CCC2CN(C(=O)C3=CN=CC([O-])=C3)CC21)C1=CC(=O)[N-]O1	REAL300030723209	1	42	-2.0	-88.83	344.86	-0.16	-88.99
O=C(NC1CCC2CN(C(=O)C3=CC=CC(=S)N3[O-])CC21)C1=CC(=O)[N-]O1	REAL300030723219	0	43	-2.0	-115.28	379.75	2.68	-112.60
O=C(NC1CCC2CN(C(=O)C3=CC=C([O-])C(Cl)=N3)CC21)C1=CC(=O)[N-]O1	REAL300030723347	0	42	-2.0	-83.60	368.81	1.11	-82.49
O=C(NC1CCC2CN(C(=O)C3=CC=C([O-])C=C3Cl)CC21)C1=CC(=O)[N-]O1	REAL300030723393	1	43	-2.0	-95.81	367.29	3.00	-92.81
N#CC1=CC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C([O-])C=C1N	REAL300030723395	0	46	-2.0	-100.82	387.02	0.92	-99.90
O=C(CC1=NC([O-])=CS1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723405	0	42	-2.0	-109.60	368.87	-1.65	-111.25
O=C(NC1CCC2CN(C(=O)C3=C([O-])C=CC=C3F)CC21)C1=CC(=O)[N-]O1	REAL300030723420	0	43	-2.0	-99.75	369.29	1.89	-97.86
O=C(CN1[N-]C(=O)C=CC1=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723422	0	45	-2.0	-105.86	380.85	-0.09	-105.95
O=C(NC1CCC2CN(C(=O)C3=CC=C(F)C=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300030723424	0	43	-2.0	-112.85	358.64	3.88	-108.97
CC1=CC=C(F)C([O-])=C1C(=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723464	0	46	-2.0	-104.69	388.90	2.43	-102.26
O=C(CC1SC(=O)[N-]C1=O)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723539	0	43	-2.0	-87.85	375.66	-2.49	-90.34
O=C(NC1CCC2CN(C(=O)C3=CC=C([O-])C(F)=C3F)CC21)C1=CC(=O)[N-]O1	REAL300030723565	0	43	-2.0	-95.09	365.95	1.89	-93.20
O=C(NC1CCC2CN(C(=O)C3=CC=CC(Cl)=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300030723572	0	43	-2.0	-103.51	371.74	3.26	-100.25
CC1=CC(=O)C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=N[N-]1	REAL300030723603	0	44	-2.0	-93.88	367.29	2.37	-91.51
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030723607	0	48	-2.0	-108.81	399.23	2.00	-106.81
O=C(NC1CCC2CN(C(=O)C3=CC=CC(=O)N3[O-])CC21)C1=CC(=O)[N-]O1	REAL300030723631	0	43	-2.0	-112.60	368.64	2.06	-110.54
N#CC1=CC=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C(=O)[N-]1	REAL300030723664	0	43	-2.0	-97.19	375.12	0.21	-96.98
CN1N=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)[N-]C1=O	REAL300030723719	0	42	-2.0	-95.16	356.13	-1.24	-96.40
[N-]=[N+]=NC1=CC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=CC=C1[O-]	REAL300030723745	0	45	-2.0	-87.50	381.70	-0.41	-87.91
O=C(NC1CCC2CN(C(=O)C3=C(F)C=CC(O)=C3O)CC21)C1=CC(=O)[N-]O1	REAL300030723781	0	44	-2.0	-100.95	380.19	-0.04	-100.99
O=C(NC1CCC2CN(C(=O)C3=C(F)C=CC(O)=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300030723781	1	44	-2.0	-100.95	380.19	-0.04	-100.99
N#CC1=CC=C([O-])C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=C1	REAL300030723791	0	44	-2.0	-94.64	376.59	3.22	-91.42
O=C(NC1CCC2CN(C(=O)C3=CN([O-])C(=O)NC3=O)CC21)C1=CC(=O)[N-]O1	REAL300030723893	0	43	-2.0	-93.37	367.24	-0.36	-93.73
O=C(NC1CCC2CN(C(=O)C3=CC=C(F)C([O-])=C3)CC21)C1=CC(=O)[N-]O1	REAL300030723952	1	43	-2.0	-106.36	356.10	1.66	-104.70
O=C(NC1CCC2CN(C(=O)C3=CC=C(Cl)C=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300030723972	1	43	-2.0	-112.86	368.97	4.32	-108.54
O=C(NC1CCC2CN(C(=O)C3=NC(=O)[N-]C(=O)N3)CC21)C1=CC(=O)[N-]O1	REAL300030724050	0	41	-2.0	-83.77	352.34	-3.09	-86.86
O=C(NC1CCC2CN(C(=O)C3=NC(=O)NC(=O)[N-]3)CC21)C1=CC(=O)[N-]O1	REAL300030724050	1	41	-2.0	-83.77	352.34	-3.09	-86.86
O=C(NC1CCC2CN(C(=O)C3=CC=C4N=NN([O-])C4=C3)CC21)C1=CC(=O)[N-]O1	REAL300030724071	0	45	-2.0	-102.41	378.11	0.57	-101.84
O=C(NC1CCC2CN(C(=O)C3=C(Cl)C(=O)[N-]S3)CC21)C1=CC(=O)[N-]O1	REAL300030724102	0	39	-2.0	-91.95	351.08	-0.40	-92.35
NC1=NC=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C(=O)N1	REAL300030724120	0	43	-2.0	-97.07	360.75	-1.19	-98.26
NC1=NC=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C(=O)[N-]1	REAL300030724120	1	43	-2.0	-97.07	360.75	-1.19	-98.26
CC1=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)[N-]C(=O)C(C#N)=C1	REAL300030724146	0	46	-2.0	-82.56	388.21	1.88	-80.68
O=C(NC1CCC2CN(C(=O)C3=CC=C4N[N-]N=C4C3=O)CC21)C1=CC(=O)[N-]O1	REAL300030724215	0	45	-2.0	-102.27	380.83	1.22	-101.05
O=C(NC1CCC2CN(C(=O)C3=NC=CC(Cl)=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300030724225	0	42	-2.0	-100.66	366.71	2.81	-97.85
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CC(=O)[N-]O1	REAL300030724281	0	39	-2.0	-90.96	333.59	-1.28	-92.24
CC1SC(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=NC1=O	REAL300030724307	0	42	-2.0	-91.73	365.55	-0.74	-92.47
CC1=C([O-])N=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)S1	REAL300030724307	1	42	-2.0	-91.73	365.55	-0.74	-92.47
O=C(NC1CCC2CN(C(=O)C(=O)C3=CC=C(O)C=C3)CC21)C1=CC(=O)[N-]O1	REAL300030724406	0	45	-2.0	-89.97	376.29	1.77	-88.20
O=C(NC1CCC2CN(C(=O)C(=O)C3=CC=C([O-])C=C3)CC21)C1=CC(=O)[N-]O1	REAL300030724406	1	45	-2.0	-89.97	376.29	1.77	-88.20
O=C(NC1CCC2CN(C(=O)C3=CN=C(C=N[O-])S3)CC21)C1=CC(=O)[N-]O1	REAL300030724432	0	42	-2.0	-100.41	372.21	-0.50	-100.91
O=C(NC1CCC2CN(C(=O)C3=CC(=O)C=C(Cl)N3)CC21)C1=CC(=O)[N-]O1	REAL300030724457	0	42	-2.0	-84.91	368.50	2.12	-82.79
O=C(NC1CCC2CN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)CC21)C1=CC(=O)[N-]O1	REAL300030724457	1	42	-2.0	-84.91	368.50	2.12	-82.79
O=C(NC1CCC2CN(C(=O)C3=CC(=O)NC([O-])=C3)CC21)C1=CC(=O)[N-]O1	REAL300030724482	0	43	-2.0	-91.07	363.15	-2.82	-93.89
CCN1[N-]C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=CC1=O	REAL300030724546	0	46	-2.0	-91.99	383.14	1.22	-90.77
CN1[N-]C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)=CC1=O	REAL300030724568	0	43	-2.0	-91.02	361.33	0.29	-90.73
O=C(CSC1=NNC(=O)[N-]1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724580	0	43	-2.0	-91.97	378.82	-1.79	-93.76
O=C(CC1=CC(=O)NN1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724728	0	43	-2.0	-99.12	363.02	-0.95	-100.07
O=C(CC1=CC(=O)N[N-]1)N1CC2CCC(NC(=O)C3=CC(=O)[N-]O3)C2C1	REAL300030724728	1	43	-2.0	-99.12	363.02	-0.95	-100.07
O=C(NC1CCC2CN(C(=O)C3=CC=C(O)C(F)=C3)CC21)C1=CC(=O)[N-]O1	REAL300030724733	0	43	-2.0	-96.85	356.06	1.70	-95.15
O=C(NC1CCC2CN(C(=O)C3=CC=C([O-])C(F)=C3)CC21)C1=CC(=O)[N-]O1	REAL300030724733	1	43	-2.0	-96.85	356.06	1.70	-95.15
O=C(NC1CCC2CN(C(=O)C3=CC(F)=C([O-])C(F)=C3)CC21)C1=CC(=O)[N-]O1	REAL300030724787	0	43	-2.0	-91.41	367.92	1.62	-89.79
O=C(NC1CCC2CN(C(=O)C3=CC=NC(Cl)=C3[O-])CC21)C1=CC(=O)[N-]O1	REAL300030724793	0	42	-2.0	-100.50	367.54	1.41	-99.09
CC1=CN=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C(O)=C1	REAL300030724846	0	45	-2.0	-106.19	371.96	2.92	-103.27
CC1=CN=C(C(=O)N2CC3CCC(NC(=O)C4=CC(=O)[N-]O4)C3C2)C([O-])=C1	REAL300030724846	1	45	-2.0	-106.19	371.96	2.92	-103.27
O=C(NC1CCC2CN(C(=O)C3=CC([O-])=CS3)CC21)C1=CC(=O)[N-]O1	REAL300030724871	0	40	-2.0	-99.47	346.45	0.36	-99.11
O=C(NC1CCC2CN(C(=O)C3=CN([O-])C(=O)C=C3)CC21)C1=CC(=O)[N-]O1	REAL300030724887	0	43	-2.0	-99.86	369.35	2.30	-97.56
O=C(NC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CC21)C1=CN([O-])C(=O)NC1=O	REAL300030724922	0	43	-2.0	-89.75	361.57	0.14	-89.61
CC(C)(CNC(=O)C1=NNC(=O)[N-]C1=O)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725782	0	46	-2.0	-102.98	370.85	-2.33	-105.31
CC(C)(CNC(=O)CN1C(=O)[N-]NC1=O)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030725835	0	48	-2.0	-107.58	383.97	-0.68	-108.26
CC(C)(CNC(=O)C1=CN([O-])C(=O)C=C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726236	0	48	-2.0	-112.04	380.79	3.81	-108.23
CC(C)(CNC(=O)C1=CC(=O)NC([O-])=C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726318	0	48	-2.0	-95.49	382.39	-1.10	-96.59
CC(C)(CNC(=O)C1=COC(=O)[N-]1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726329	1	44	-2.0	-97.17	354.24	-1.33	-98.50
CCN1[N-]C(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030726450	0	51	-2.0	-102.34	403.84	2.37	-99.97
CC(C)(CNC(=O)CC1=CC(=O)N[N-]1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726457	1	48	-2.0	-109.70	379.80	0.35	-109.35
CN1N=C(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030726480	0	47	-2.0	-104.80	376.54	-0.07	-104.87
CC(C)(CNC(=O)C1=C[N-]N=CC1=O)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726539	0	46	-2.0	-92.31	362.38	1.90	-90.41
CC(C)(CNC(=O)C1=CC(=O)N[N-]1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726609	0	45	-2.0	-98.20	359.29	-0.27	-98.47
CC(C)(CNC(=O)C(=O)[PH](C)(C)[O-])C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726614	0	50	-2.0	-86.55	391.59	1.35	-85.20
CC(C)(CNC(=O)CCC1=NNC(=O)[N-]1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726635	0	50	-2.0	-100.43	395.39	-0.06	-100.49
CC(C)(CNC(=O)C1=CC=CN([O-])C1=O)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726638	0	48	-2.0	-109.47	379.33	3.97	-105.50
CC1SC(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030726659	0	47	-2.0	-102.86	385.83	-0.14	-103.00
CC1=C([O-])N=C(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300030726659	1	47	-2.0	-102.86	385.83	-0.14	-103.00
CC(C)(CNC(=O)C1=CC(=O)N([O-])C=C1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726676	0	48	-2.0	-111.81	381.17	3.81	-108.00
CC(C)(CNC(=O)C1=CC=CC(=O)N1[O-])C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726701	0	48	-2.0	-132.39	379.37	4.80	-127.59
CC(C)(CNC(=O)CC1=NC([O-])=CS1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726816	0	47	-2.0	-123.36	385.65	-0.35	-123.71
CC1=CC(=O)C(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030726974	0	49	-2.0	-105.15	388.01	3.53	-101.62
CC(C)(CNC(=O)C1=NC(=O)N[N-]1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030726984	0	44	-2.0	-97.47	353.89	-1.57	-99.04
CN1[N-]C(C(=O)NCC(C)(C)C2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030727170	0	48	-2.0	-101.25	382.11	1.44	-99.81
CC(C)(CNC(=O)C1=NC(=O)[N-]C(=O)N1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030727267	0	46	-2.0	-86.42	372.49	-2.64	-89.06
CC(C)(CNC(=O)C1=NC(=O)NC(=O)[N-]1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030727267	1	46	-2.0	-86.42	372.49	-2.64	-89.06
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=NC=CC=C1O	REAL300030727619	0	47	-2.0	-107.64	370.95	3.55	-104.09
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=NC=CC=C1[O-]	REAL300030727619	1	47	-2.0	-107.64	370.95	3.55	-104.09
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300030727713	0	46	-2.0	-99.97	369.54	-2.21	-102.18
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300030727798	0	48	-2.0	-102.89	386.64	-0.63	-103.52
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300030728516	1	49	-2.0	-93.89	395.19	3.07	-90.82
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=COC(=O)[N-]1	REAL300030728572	1	44	-2.0	-94.76	353.19	-0.05	-94.81
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C([O-])C=C1F	REAL300030728639	1	48	-2.0	-105.40	378.52	2.52	-102.88
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300030728643	0	47	-2.0	-88.68	378.68	2.41	-86.27
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300030728645	1	49	-2.0	-110.94	394.31	3.02	-107.92
CC1=CC=C([O-])C(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030728690	1	50	-2.0	-108.86	392.53	4.13	-104.73
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300030728701	0	46	-2.0	-94.23	365.66	1.27	-92.96
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300030728706	0	48	-2.0	-126.54	378.08	3.86	-122.68
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=CC([O-])=C1F	REAL300030728762	1	48	-2.0	-121.88	378.39	2.51	-119.37
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300030728823	0	45	-2.0	-95.65	358.05	0.06	-95.59
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300030728827	0	50	-2.0	-89.04	392.78	1.41	-87.63
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300030728874	0	48	-2.0	-117.45	380.08	3.15	-114.30
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=NC(=O)N[N-]1	REAL300030728891	0	44	-2.0	-95.42	352.83	-0.68	-96.10
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=CN([O-])C1=O	REAL300030728895	0	48	-2.0	-109.30	380.01	3.11	-106.19
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=NC(N)=CC(=O)[N-]1	REAL300030728965	0	48	-2.0	-105.09	382.11	-0.23	-105.32
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300030728993	1	48	-2.0	-116.41	378.27	4.09	-112.32
CC1=CC=NC(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300030729033	1	50	-2.0	-101.83	390.46	4.26	-97.57
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CN=CC([O-])=C1	REAL300030729089	1	47	-2.0	-108.84	369.17	0.75	-108.09
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC1=NC([O-])=CS1	REAL300030729175	0	47	-2.0	-116.59	388.19	-0.24	-116.83
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300030729185	0	48	-2.0	-119.81	378.24	3.85	-115.96
CC1=CC(=O)C(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030729266	0	49	-2.0	-99.59	386.74	3.65	-95.94
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300030729276	0	48	-2.0	-109.85	379.45	3.20	-106.65
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300030729291	0	48	-2.0	-95.35	392.50	1.00	-94.35
CN1N=C(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030729314	0	47	-2.0	-102.94	375.57	0.24	-102.70
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C(C#N)C=C1[O-]	REAL300030729343	0	49	-2.0	-116.52	392.65	4.19	-112.33
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300030729348	0	49	-2.0	-111.80	392.70	4.44	-107.36
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300030729427	1	48	-2.0	-116.35	380.37	2.66	-113.69
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300030729469	0	46	-2.0	-84.88	371.86	-1.62	-86.50
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300030729469	1	46	-2.0	-84.88	371.86	-1.62	-86.50
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CN=C(N)NC1=O	REAL300030729498	0	48	-2.0	-99.97	378.00	-0.17	-100.14
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300030729498	1	48	-2.0	-99.97	378.00	-0.17	-100.14
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030729576	0	44	-2.0	-100.03	353.81	0.16	-99.87
CC1SC(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030729590	0	47	-2.0	-101.82	386.00	0.69	-101.13
CC1=C([O-])N=C(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030729590	1	47	-2.0	-101.82	386.00	0.69	-101.13
CCN1[N-]C(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030729720	0	51	-2.0	-99.55	402.59	2.71	-96.84
CN1[N-]C(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030729732	0	48	-2.0	-98.53	380.78	1.77	-96.76
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC1=CC(=O)NN1	REAL300030729800	0	48	-2.0	-102.91	382.35	0.48	-102.43
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)CC1=CC(=O)N[N-]1	REAL300030729800	1	48	-2.0	-102.91	382.35	0.48	-102.43
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C(O)C(F)=C1	REAL300030729804	0	48	-2.0	-105.20	380.33	2.70	-102.50
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300030729804	1	48	-2.0	-105.20	380.33	2.70	-102.50
CC1=CN=C(C(=O)N2CCCC2C(C)(C)CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030729857	1	50	-2.0	-109.43	392.40	4.21	-105.22
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CC([O-])=CS1	REAL300030729869	0	45	-2.0	-115.42	366.31	1.56	-113.86
CC(C)(CNC(=O)C1=CC(=O)[N-]O1)C1CCCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300030729879	0	48	-2.0	-117.84	379.67	3.14	-114.70
O=C(C1=CC(=O)N[N-]1)N1CCN(C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030730623	0	48	-2.0	-91.84	374.05	-1.66	-93.50
O=C(C1=CC(=O)[N-]O1)N1CCC(N2CCN(C(=O)C3=NC(=O)N[N-]3)CC2)CC1	REAL300030730698	0	47	-2.0	-85.55	369.16	-2.21	-87.76
O=C(C1=CC(=O)N[N-]1)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731204	0	48	-2.0	-88.54	374.96	-1.47	-90.01
O=C(C1=CC(=O)[N-]O1)N1CCN(C2CCN(C(=O)C3=NC(=O)N[N-]3)CC2)CC1	REAL300030731217	0	47	-2.0	-91.13	369.17	-2.18	-93.31
O=C(C1=CC(=O)[N-]O1)N1CCC(N2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)CC1	REAL300030731374	0	47	-2.0	-91.26	369.34	-1.61	-92.87
CC(C)(C)C1(CNC(=O)C2=COC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732203	1	47	-2.0	-92.82	368.72	-1.05	-93.87
CC(C)(C)C1(CNC(=O)CC2=CC(=O)N[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732282	1	51	-2.0	-97.86	394.21	0.57	-97.29
CN1N=C(C(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030732291	0	50	-2.0	-96.88	390.80	0.15	-96.73
CC(C)(C)C1(CNC(=O)C2=C[N-]N=CC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732323	0	49	-2.0	-102.54	373.46	2.09	-100.45
CC(C)(C)C1(CNC(=O)C2=CC(=O)N[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732357	0	48	-2.0	-91.01	373.55	-0.07	-91.08
CC(C)(C)C1(CNC(=O)C2=NC(=O)N[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030732535	0	47	-2.0	-92.22	368.14	-1.35	-93.57
CN1[N-]C(C(=O)NCC2(C(C)(C)C)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030732623	0	51	-2.0	-93.62	396.36	1.65	-91.97
CC(C)(C)C1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300030732979	1	50	-2.0	-122.61	387.90	4.11	-118.50
CC(C)(C)C1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300030733475	1	47	-2.0	-89.80	368.44	0.15	-89.65
CC(C)(C)C1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300030733549	0	49	-2.0	-101.13	387.30	1.88	-99.25
CC(C)(C)C1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300030733610	0	48	-2.0	-91.88	373.23	0.29	-91.59
CC(C)(C)C1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC(=O)N[N-]2)C1	REAL300030733644	0	47	-2.0	-90.29	368.08	-0.47	-90.76
CC(C)(C)C1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300030733754	1	50	-2.0	-101.46	383.06	1.30	-100.16
CN1N=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)[N-]C1=O	REAL300030733865	0	50	-2.0	-116.81	393.31	0.58	-116.23
CC(C)(C)C1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300030733998	0	50	-2.0	-127.29	388.16	2.84	-124.45
CC(C)(C)C1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030734001	0	47	-2.0	-94.37	368.29	0.41	-93.96
CN1[N-]C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)(C(C)(C)C)C2)=CC1=O	REAL300030734090	0	51	-2.0	-111.70	398.56	2.11	-109.59
CC(C)(C)C1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300030734138	1	51	-2.0	-124.38	389.45	1.33	-123.05
CC(C)(C)C1(CNC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC([O-])=CS2)C1	REAL300030734182	0	48	-2.0	-121.78	383.72	2.21	-119.57
COCCC1(NC(=O)C2=NNC(=O)[N-]C2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735215	0	44	-2.0	-98.64	376.26	-5.16	-103.80
COCCC1(NC(=O)CN2C(=O)[N-]NC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735258	0	46	-2.0	-102.71	390.38	-3.43	-106.14
COCCC1(NC(=O)C2=CN([O-])C(=O)C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735558	0	46	-2.0	-112.28	388.54	1.06	-111.22
COCCC1(NC(=O)C2=CC(=O)NC([O-])=C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735622	0	46	-2.0	-91.33	387.81	-3.87	-95.20
COCCC1(NC(=O)C2=COC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735633	1	42	-2.0	-92.12	359.87	-3.99	-96.11
CCN1[N-]C(C(=O)NC2(CCOC)CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030735730	0	49	-2.0	-90.35	408.60	-0.27	-90.62
COCCC1(NC(=O)CC2=CC(=O)N[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735736	1	46	-2.0	-94.81	384.72	-2.29	-97.10
COCCC1(NC(=O)C2=NN(C)C(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735754	0	45	-2.0	-105.56	383.31	-2.61	-108.17
COCCC1(NC(=O)C2=C[N-]N=CC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735800	0	44	-2.0	-80.74	368.58	-0.86	-81.60
COCCC1(NC(=O)C2=CC(=O)N[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735856	0	43	-2.0	-97.89	366.08	-2.94	-100.83
COCCC1(NC(=O)C(=O)[PH](C)(C)[O-])CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735860	0	48	-2.0	-94.23	398.66	-1.43	-95.66
COCCC1(NC(=O)CC2=CC(=O)N(C)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735862	0	49	-2.0	-105.31	408.20	-0.68	-105.99
COCCC1(NC(=O)C2=CC=CN([O-])C2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735881	0	46	-2.0	-101.57	384.55	1.24	-100.33
COCCC1(NC(=O)C2=NC([O-])=C(C)S2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735900	1	45	-2.0	-104.28	392.81	-2.71	-106.99
COCCC1(NC(=O)C2=CC(=O)N([O-])C=C2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735912	0	46	-2.0	-112.61	388.92	1.04	-111.57
COCCC1(NC(=O)C2=CC=CC(=O)N2[O-])CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030735932	0	46	-2.0	-127.39	384.78	1.95	-125.44
COCCC1(NC(=O)CC2=NC([O-])=CS2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736023	0	45	-2.0	-104.40	390.57	-3.01	-107.41
COCCC1(NC(=O)C2=N[N-]C(C)=CC2=O)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736151	0	47	-2.0	-90.65	392.85	0.76	-89.89
COCCC1(NC(=O)C2=NC(=O)N[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736159	0	42	-2.0	-98.87	360.65	-4.10	-102.97
COCCC1(NC(=O)C2=CC(=O)N(C)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736305	0	46	-2.0	-100.60	388.80	-1.23	-101.83
COCCC1(NC(=O)C2=NC(=O)[N-]C(=O)N2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736376	0	44	-2.0	-89.82	378.48	-5.29	-95.11
COCCC1(NC(=O)C2=NC(=O)NC(=O)[N-]2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030736376	1	44	-2.0	-89.82	378.48	-5.29	-95.11
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=CC=C2O)C1	REAL300030736712	0	45	-2.0	-98.85	375.69	1.13	-97.72
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=CC=C2[O-])C1	REAL300030736712	1	45	-2.0	-98.85	375.69	1.13	-97.72
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1	REAL300030736805	0	44	-2.0	-90.88	375.28	-4.64	-95.52
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CN2C(=O)[N-]NC2=O)C1	REAL300030736895	0	46	-2.0	-91.77	392.65	-3.21	-94.98
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=COC(=O)[N-]2)C1	REAL300030737739	1	42	-2.0	-92.21	359.60	-2.76	-94.97
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C([O-])C=C2F)C1	REAL300030737806	1	46	-2.0	-98.50	383.73	0.18	-98.32
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1	REAL300030737809	0	45	-2.0	-92.53	384.67	-0.22	-92.75
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC(C)=CC=C2[O-])C1	REAL300030737859	1	48	-2.0	-113.46	397.95	1.65	-111.81
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=C[N-]N=CC2=O)C1	REAL300030737869	0	44	-2.0	-93.72	366.54	-1.22	-94.94
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300030737876	0	46	-2.0	-108.65	383.28	1.79	-106.86
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC([O-])=C2F)C1	REAL300030737934	1	46	-2.0	-105.88	383.61	0.17	-105.71
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)N[N-]2)C1	REAL300030738004	0	43	-2.0	-99.46	365.68	-2.68	-102.14
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C(=O)[PH](C)(C)[O-])C1	REAL300030738009	0	48	-2.0	-93.32	398.76	-1.32	-94.64
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1	REAL300030738057	0	46	-2.0	-103.05	384.68	0.72	-102.33
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NNC(=O)[N-]2)C1	REAL300030738073	0	42	-2.0	-98.49	359.15	-4.13	-102.62
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CN([O-])C2=O)C1	REAL300030738078	0	46	-2.0	-119.64	382.83	0.60	-119.04
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(F)=CC=C2O)C1	REAL300030738180	0	46	-2.0	-103.51	383.47	1.79	-101.72
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(F)=CC=C2[O-])C1	REAL300030738180	1	46	-2.0	-103.51	383.47	1.79	-101.72
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=CC(C)=C2O)C1	REAL300030738222	0	48	-2.0	-112.42	396.68	1.75	-110.67
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=CC(C)=C2[O-])C1	REAL300030738222	1	48	-2.0	-112.42	396.68	1.75	-110.67
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN=CC(O)=C2)C1	REAL300030738278	0	45	-2.0	-92.43	373.85	-1.68	-94.11
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN=CC([O-])=C2)C1	REAL300030738278	1	45	-2.0	-92.43	373.85	-1.68	-94.11
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2=NC([O-])=CS2)C1	REAL300030738363	0	45	-2.0	-119.06	394.08	-2.88	-121.94
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=N[N-]C(C)=CC2=O)C1	REAL300030738462	0	47	-2.0	-91.12	392.47	1.22	-89.90
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=CC(=O)N2[O-])C1	REAL300030738477	0	46	-2.0	-111.31	394.55	0.86	-110.45
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NN(C)C(=O)[N-]2)C1	REAL300030738521	0	45	-2.0	-100.76	381.91	-2.52	-103.28
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300030738640	0	46	-2.0	-99.04	384.98	0.19	-98.85
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300030738640	1	46	-2.0	-99.04	384.98	0.19	-98.85
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300030738687	0	44	-2.0	-92.47	377.47	-5.07	-97.54
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300030738687	1	44	-2.0	-89.85	378.05	-4.32	-94.17
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN=C(N)[N-]C2=O)C1	REAL300030738722	1	46	-2.0	-103.25	381.00	-2.58	-105.83
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=NC=C2[O-])C1	REAL300030738804	0	45	-2.0	-103.70	372.33	-0.06	-103.76
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030738809	0	42	-2.0	-96.92	359.45	-2.50	-99.42
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC([O-])=C(C)S2)C1	REAL300030738824	1	45	-2.0	-95.92	390.75	-1.91	-97.83
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300030738920	0	46	-2.0	-95.72	396.27	-3.80	-99.52
CCN1[N-]C(C(=O)N2CCC(CCOC)(NC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030738961	0	49	-2.0	-98.68	409.00	0.00	-98.68
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC(=O)N(C)[N-]2)C1	REAL300030738977	0	46	-2.0	-97.58	387.19	-0.93	-98.51
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)CC2=CC(=O)N[N-]2)C1	REAL300030739055	1	46	-2.0	-106.68	388.23	-2.16	-108.84
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300030739059	1	46	-2.0	-92.28	384.94	0.21	-92.07
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=NC=C(C)C=C2[O-])C1	REAL300030739120	1	48	-2.0	-100.28	397.14	1.77	-98.51
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CC([O-])=CS2)C1	REAL300030739133	0	43	-2.0	-105.16	372.01	-0.75	-105.91
COCCC1(NC(=O)C2=CC(=O)[N-]O2)CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1	REAL300030739144	0	46	-2.0	-111.68	396.03	1.15	-110.53
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300030739665	1	47	-2.0	-97.47	385.76	1.72	-95.75
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCCN1C(=O)[N-]NC1=O	REAL300030740377	0	48	-2.0	-107.25	399.50	0.07	-107.18
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300030740616	0	46	-2.0	-102.32	387.18	-2.67	-104.99
CC(=O)[N-]C1=NC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300030740617	1	44	-2.0	-90.10	378.84	1.44	-88.66
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300030740796	1	47	-2.0	-92.51	391.14	1.59	-90.92
COC1=C(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300030740918	1	45	-2.0	-97.79	373.38	-1.41	-99.20
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300030741045	0	40	-2.0	-105.42	338.45	-2.59	-108.01
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1C(=O)[N-]NC1=O	REAL300030741173	0	42	-2.0	-110.17	357.63	-1.15	-111.32
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300030742128	0	42	-2.0	-106.57	357.36	3.13	-103.44
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300030742312	0	42	-2.0	-83.00	350.27	-1.86	-84.86
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC(=O)[N-]1	REAL300030742325	1	38	-2.0	-91.80	321.94	-0.41	-92.21
CCN1[N-]C(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030742576	0	45	-2.0	-101.27	371.38	2.17	-99.10
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC(=O)N[N-]1	REAL300030742585	1	42	-2.0	-93.17	350.21	0.01	-93.16
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CC(=S)N1[O-]	REAL300030742610	0	42	-2.0	-116.63	357.47	4.88	-111.75
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1SC(=O)[N-]C1=O	REAL300030742626	0	42	-2.0	-96.91	366.63	-1.51	-98.42
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300030742645	0	41	-2.0	-90.12	345.24	-0.21	-90.33
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=C[N-]N=CC1=O	REAL300030742773	0	40	-2.0	-98.70	339.36	0.91	-97.79
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300030742813	0	44	-2.0	-114.56	365.94	1.43	-113.13
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)N[N-]1	REAL300030742920	0	39	-2.0	-84.16	327.75	-0.36	-84.52
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300030742925	0	44	-2.0	-84.95	362.60	1.17	-83.78
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC(=O)N(C)[N-]1	REAL300030742928	0	45	-2.0	-114.38	373.82	1.58	-112.80
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1=NC(=O)[N-]N1	REAL300030742967	1	44	-2.0	-94.67	365.22	-0.96	-95.63
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CN([O-])C1=O	REAL300030742976	0	42	-2.0	-124.45	355.64	3.06	-121.39
CSC1=NC=C(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030742997	1	44	-2.0	-108.95	384.99	0.87	-108.08
CC1=C([O-])N=C(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300030743023	1	41	-2.0	-90.66	354.50	0.39	-90.27
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300030743046	1	41	-2.0	-93.71	358.81	3.13	-90.58
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300030743071	0	42	-2.0	-98.84	357.80	3.29	-95.55
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300030743136	0	42	-2.0	-113.91	346.37	3.86	-110.05
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C[N-]C(=O)C(F)(F)F	REAL300030743320	0	41	-2.0	-99.11	360.46	-0.93	-100.04
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=C([O-])N=C(N)S1	REAL300030743321	0	43	-2.0	-121.24	371.66	-1.73	-122.97
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=NC([O-])=CS1	REAL300030743387	0	41	-2.0	-102.43	356.02	-0.70	-103.13
CCC1=NC=C(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030743414	1	46	-2.0	-108.05	383.68	1.35	-106.70
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1N=CC(=O)[N-]C1=O	REAL300030743427	0	43	-2.0	-113.74	366.35	-2.33	-116.07
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300030743512	0	38	-2.0	-99.64	344.45	0.13	-99.51
COCC1=NC=C(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030743631	0	47	-2.0	-108.08	396.61	-0.40	-108.48
COCC1=NC=C(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030743631	1	47	-2.0	-108.08	396.61	-0.40	-108.48
CC1=CC(=O)C(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030743738	0	43	-2.0	-104.78	355.59	3.27	-101.51
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNC(=O)[N-]1	REAL300030743757	0	38	-2.0	-87.05	321.55	-1.85	-88.90
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300030743783	0	43	-2.0	-94.77	371.91	2.09	-92.68
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030743783	1	43	-2.0	-94.77	371.91	2.09	-92.68
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=C(C=N[O-])S1	REAL300030743931	0	41	-2.0	-96.92	359.68	0.57	-96.35
COC1=NC(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030743952	0	44	-2.0	-101.88	367.13	-1.80	-103.68
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300030744184	0	42	-2.0	-86.80	350.59	1.35	-85.45
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CC2=C1C(=O)[N-]C2=O	REAL300030744194	1	45	-2.0	-105.05	377.76	0.46	-104.59
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300030744197	0	42	-2.0	-88.16	366.48	-0.76	-88.92
CC1=C(C(=O)N(C)C[C@H]2CCCN2C(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300030744198	1	44	-2.0	-112.83	377.81	0.18	-112.65
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300030744427	0	40	-2.0	-92.51	341.58	-2.72	-95.23
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300030744427	1	40	-2.0	-80.76	341.24	-1.87	-82.63
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300030744506	0	44	-2.0	-89.38	376.40	-4.54	-93.92
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300030744506	1	44	-2.0	-83.82	376.34	-4.48	-88.30
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300030744659	0	44	-2.0	-110.43	372.13	-0.23	-110.66
CN(C[C@H]1CCCN1C(=O)C1=NC=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030744916	1	41	-2.0	-117.50	339.52	3.14	-114.36
CN(C[C@H]1CCCN1C(=O)CCN1C=C[N-]C(=O)C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030745032	1	47	-2.0	-94.52	392.02	1.64	-92.88
CC(=O)[N-]C1=NC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300030745044	1	44	-2.0	-91.45	377.72	1.31	-90.14
CN(C[C@H]1CCCN1C(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030745072	0	40	-2.0	-89.07	339.42	-2.53	-91.60
COC1=C(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300030745121	1	45	-2.0	-108.84	364.50	-1.21	-110.05
CN(C[C@H]1CCCN1C(=O)CN1C(=O)[N-]NC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030745281	0	42	-2.0	-91.08	356.07	-1.02	-92.10
CN(C[C@H]1CCCN1C(=O)CCCN1C(=O)[N-]NC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030746199	0	48	-2.0	-90.79	398.55	0.20	-90.59
CN(C[C@H]1CCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030746400	1	47	-2.0	-87.56	365.00	0.94	-86.62
CN(C[C@H]1CCCN1C(=O)CCC1=NNC(=O)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030747172	0	46	-2.0	-88.40	386.27	-2.52	-90.92
CN(C[C@H]1CCCN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030747180	0	44	-2.0	-88.14	354.61	3.69	-84.45
CN(C[C@H]1CCCN1C(=O)C1=CC(Cl)=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030747194	1	42	-2.0	-128.89	343.48	4.72	-124.17
CN(C[C@H]1CCCN1C(=O)C1=CC([O-])=CC(C#N)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030747225	1	43	-2.0	-82.16	348.93	2.67	-79.49
CN(C[C@H]1CCCN1C(=O)C1=CC=C(N)C(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030747251	0	44	-2.0	-98.27	354.90	1.95	-96.32
CN(C[C@H]1CCCN1C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030747302	0	44	-2.0	-99.41	352.46	4.74	-94.67
CCC1=NC=C(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030747331	1	46	-2.0	-86.05	354.16	0.29	-85.76
CN(C[C@H]1CCCN1C(=O)C1=COC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030747352	1	38	-2.0	-84.72	323.11	-0.59	-85.31
CN(C[C@H]1CCCN1C(=O)C[N-]C(=O)C(F)(F)F)C(=O)C1=CC(=O)[N-]O1	REAL300030747453	0	41	-2.0	-83.76	360.81	-0.80	-84.56
CN(C[C@H]1CCCN1C(=O)CC1=C([O-])N=C(N)S1)C(=O)C1=CC(=O)[N-]O1	REAL300030747454	0	43	-2.0	-102.42	371.67	-1.54	-103.96
CN(C[C@H]1CCCN1C(=O)C1=CC=C([O-])C=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300030747481	1	42	-2.0	-88.23	335.50	2.10	-86.13
CN(C[C@H]1CCCN1C(=O)C1=CC([O-])=CC(=O)O1)C(=O)C1=CC(=O)[N-]O1	REAL300030747490	0	41	-2.0	-84.12	348.58	1.98	-82.14
CN(C[C@H]1CCCN1C(=O)C1=CC=C(C#N)C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030747500	1	43	-2.0	-89.60	346.74	2.20	-87.40
CN(C[C@H]1CCCN1C(=O)C1=CC(Cl)=NC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030747506	0	41	-2.0	-123.73	339.02	2.64	-121.09
CN(C[C@H]1CCCN1C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030747509	0	44	-2.0	-83.57	379.71	-0.14	-83.71
CN(C[C@H]1CCCN1C(=O)CN1N=CC(=O)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030747525	0	43	-2.0	-129.48	358.07	-1.36	-130.84
CC1=CC=C([O-])C(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)=N1	REAL300030747611	1	44	-2.0	-118.49	361.16	3.72	-114.77
CN(C[C@H]1CCCN1C(=O)C1=C[N-]N=CC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030747635	0	40	-2.0	-80.16	325.72	0.97	-79.19
CN(C[C@H]1CCCN1C(=O)C1=CC=CC(F)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030747646	0	42	-2.0	-100.19	332.68	3.56	-96.63
CN(C[C@H]1CCCN1C(=O)C1=CC=CC([O-])=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300030747763	1	42	-2.0	-96.61	332.99	1.93	-94.68
CN(C[C@H]1CCCN1C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030747834	0	44	-2.0	-90.09	352.69	3.58	-86.51
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)N[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030747897	0	39	-2.0	-84.38	327.96	-0.41	-84.79
CN(C[C@H]1CCCN1C(=O)C(=O)[PH](C)(C)[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030747904	0	44	-2.0	-84.79	362.46	0.86	-83.93
CN(C[C@H]1CCCN1C(=O)CC1=CC(=O)N(C)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030747908	0	45	-2.0	-95.45	373.77	1.77	-93.68
CN(C[C@H]1CCCN1C(=O)C(=O)C=C([O-])C1=CC=CC=N1)C(=O)C1=CC(=O)[N-]O1	REAL300030747931	0	47	-2.0	-98.07	395.04	4.25	-93.82
CN(C[C@H]1CCCN1C(=O)C1=CC(N)=C(F)C([O-])=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300030747959	0	44	-2.0	-135.41	353.33	0.35	-135.06
COCC1=NC=C(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030747964	1	47	-2.0	-86.74	367.09	-1.47	-88.21
CN(C[C@H]1CCCN1C(=O)C1=CC(F)=CC(F)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030747990	0	42	-2.0	-93.23	338.85	3.71	-89.52
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)N([O-])C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030748017	0	42	-2.0	-98.25	332.95	2.32	-95.93
CN(C[C@H]1CCCN1C(=O)C1=CC(F)=C(F)C([O-])=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300030748050	0	42	-2.0	-90.31	345.72	2.13	-88.18
CN(C[C@H]1CCCN1C(=O)C1=NC(=O)N[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030748052	0	38	-2.0	-84.02	322.60	-1.20	-85.22
CN(C[C@H]1CCCN1C(=O)C1=CC=CN([O-])C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030748064	0	42	-2.0	-97.65	318.85	0.73	-96.92
CN(C[C@H]1CCCN1C(=O)C1=NC(N)=CC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030748200	0	42	-2.0	-93.15	351.00	-0.70	-93.85
CN(C[C@H]1CCCN1C(=O)C1=CC=C([O-])C(Cl)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030748264	0	42	-2.0	-86.08	342.62	2.35	-83.73
CN(C[C@H]1CCCN1C(=O)C1=CC(F)=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030748270	1	42	-2.0	-93.46	332.78	3.66	-89.80
CC1=CC=NC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300030748355	1	44	-2.0	-98.25	360.18	3.96	-94.29
CN(C[C@H]1CCCN1C(=O)C1=CC=C(Cl)C(F)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030748411	0	42	-2.0	-95.55	348.80	4.04	-91.51
CN(C[C@H]1CCCN1C(=O)C1=CN=CC([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030748523	1	41	-2.0	-89.32	325.70	0.34	-88.98
CN(C[C@H]1CCCN1C(=O)C1=CC=CC(=S)N1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030748535	0	42	-2.0	-112.11	344.24	4.47	-107.64
CN(C[C@H]1CCCN1C(=O)C1=CC(N)=C(Cl)C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030748688	1	44	-2.0	-86.91	357.91	0.76	-86.15
CN(C[C@H]1CCCN1C(=O)C1=CC=C([O-])C(Cl)=N1)C(=O)C1=CC(=O)[N-]O1	REAL300030748692	0	41	-2.0	-81.38	358.14	2.12	-79.26
CN(C[C@H]1CCCN1C(=O)C1=CC=C([O-])C=C1Cl)C(=O)C1=CC(=O)[N-]O1	REAL300030748755	1	42	-2.0	-87.27	343.47	2.54	-84.73
CN(C[C@H]1CCCN1C(=O)C1=CC(C#N)=C(N)C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030748757	0	45	-2.0	-125.80	360.80	2.31	-123.49
CN(C[C@H]1CCCN1C(=O)CC1=NC([O-])=CS1)C(=O)C1=CC(=O)[N-]O1	REAL300030748767	0	41	-2.0	-102.97	357.24	-0.70	-103.67
CN(C[C@H]1CCCN1C(=O)CN1[N-]C(=O)C=CC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030748790	0	44	-2.0	-92.24	372.12	-0.05	-92.29
CN(C[C@H]1CCCN1C(=O)C1=CC=C(F)C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030748793	0	42	-2.0	-95.58	335.22	3.72	-91.86
CN(C[C@H]1CCCN1C(=O)CC1SC(=O)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030748912	0	42	-2.0	-83.41	364.13	-1.44	-84.85
CN(C[C@H]1CCCN1C(=O)C1=CC=C([O-])C(F)=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300030748939	0	42	-2.0	-88.02	339.20	2.02	-86.00
CN(C[C@H]1CCCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030748942	1	43	-2.0	-80.17	341.68	1.22	-78.95
CN(C[C@H]1CCCN1C(=O)C1=CC=CC(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030748947	0	42	-2.0	-95.59	342.48	4.02	-91.57
CC1=CC(=O)C(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030748980	0	43	-2.0	-89.04	356.57	3.34	-85.70
CN(C[C@H]1CCCN1C(=O)C=C([O-])C1=CC=C(O)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030748985	0	47	-2.0	-101.67	387.61	2.98	-98.69
CN(C[C@H]1CCCN1C(=O)C1=CC=CC(=O)N1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030749013	0	42	-2.0	-111.38	333.12	3.44	-107.94
CN(C[C@H]1CCCN1C(=O)C1=CC=C(C#N)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030749049	0	42	-2.0	-80.29	348.49	0.67	-79.62
CN(C[C@H]1CCCN1C(=O)COC1=NC(=O)[N-]C(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL300030749050	0	44	-2.0	-88.95	377.58	-4.52	-93.47
CN(C[C@H]1CCCN1C(=O)COC1=NC(=O)NC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030749050	1	44	-2.0	-83.65	377.24	-4.39	-88.04
CN(C[C@H]1CCCN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030749079	0	44	-2.0	-83.07	373.24	4.11	-78.96
CN(C[C@H]1CCCN1C(=O)C1=NN(C)C(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030749119	0	41	-2.0	-90.59	345.27	-0.25	-90.84
CN(C[C@H]1CCCN1C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749153	0	44	-2.0	-115.97	359.59	1.23	-114.74
CN(C[C@H]1CCCN1C(=O)C1=CC(C#N)=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030749195	0	43	-2.0	-126.07	350.99	4.79	-121.28
CN(C[C@H]1CCCN1C(=O)C1=CN([O-])C(=O)NC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030749316	0	42	-2.0	-90.11	347.98	0.85	-89.26
CN(C[C@H]1CCCN1C(=O)C1=CC(Cl)=C(F)C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030749353	0	42	-2.0	-125.78	349.63	4.62	-121.16
CN(C[C@H]1CCCN1C(=O)C1=CC=C(F)C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749380	1	42	-2.0	-93.62	332.89	1.83	-91.79
CN(C[C@H]1CCCN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749388	1	47	-2.0	-106.56	368.30	3.95	-102.61
CN(C[C@H]1CCCN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030749392	0	44	-2.0	-91.45	357.00	4.34	-87.11
CN(C[C@H]1CCCN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030749395	0	44	-2.0	-116.73	354.90	4.88	-111.85
CN(C[C@H]1CCCN1C(=O)C1=CC=C(Cl)C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030749406	1	42	-2.0	-95.58	345.55	4.18	-91.40
CN(C[C@H]1CCCN1C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749420	0	44	-2.0	-80.67	355.00	2.81	-77.86
CN(C[C@H]1CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL300030749492	0	40	-2.0	-93.73	340.64	-2.94	-96.67
CN(C[C@H]1CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030749492	1	40	-2.0	-91.28	341.53	-2.16	-93.44
CN(C[C@H]1CCCN1C(=O)C1=CC=C2N=NN([O-])C2=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749519	0	44	-2.0	-94.20	350.67	0.89	-93.31
CN(C[C@H]1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C(=O)C1=CC(=O)[N-]O1	REAL300030749556	1	47	-2.0	-103.51	384.08	5.61	-97.90
CN(C[C@H]1CCCN1C(=O)C1=C(Cl)C(=O)[N-]S1)C(=O)C1=CC(=O)[N-]O1	REAL300030749557	0	38	-2.0	-85.36	343.42	0.27	-85.09
CN(C[C@H]1CCCN1C(=O)C1=CN=C(N)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030749576	1	42	-2.0	-86.74	327.73	-1.39	-88.13
CC1=C(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300030749607	0	45	-2.0	-88.06	379.17	2.77	-85.29
CN(C[C@H]1CCCN1C(=O)C1=CC=C(F)C([O-])=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300030749627	0	42	-2.0	-95.49	339.16	1.98	-93.51
CN(C[C@H]1CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749684	0	42	-2.0	-108.61	351.02	2.96	-105.65
CN(C[C@H]1CCCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749688	1	43	-2.0	-103.25	348.86	1.83	-101.42
COC1=NC(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030749694	0	44	-2.0	-102.54	365.37	-2.01	-104.55
CN(C[C@H]1CCCN1C(=O)C1=CC=C2N[N-]N=C2C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030749696	0	44	-2.0	-87.80	335.78	-0.70	-88.50
CN(C[C@H]1CCCN1C(=O)C1=NC=CC(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030749704	0	41	-2.0	-113.23	355.76	3.65	-109.58
CN(C[C@H]1CCCN1C(=O)CC1=CC=C([O-])C(Cl)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749710	1	45	-2.0	-95.93	388.04	4.16	-91.77
CN(C[C@H]1CCCN1C(=O)C1=CC=C(Cl)C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749743	0	42	-2.0	-90.10	342.70	2.33	-87.77
CN(C[C@H]1CCCN1C(=O)C1=CC=NC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030749753	0	41	-2.0	-95.35	324.53	1.87	-93.48
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)[N-]O1	REAL300030749760	0	38	-2.0	-87.54	322.95	-0.24	-87.78
CC1=C([O-])N=C(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)S1	REAL300030749794	1	41	-2.0	-90.44	354.55	0.22	-90.22
CN(C[C@H]1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749862	1	48	-2.0	-100.95	371.09	5.80	-95.15
CN(C[C@H]1CCCN1C(=O)C1=CC2=CC=CC=C2C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030749870	1	48	-2.0	-145.96	373.22	6.25	-139.71
CN(C[C@H]1CCCN1C(=O)C(=O)C1=CC=C([O-])C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030749913	1	44	-2.0	-86.12	365.54	2.75	-83.37
CN(C[C@H]1CCCN1C(=O)C1=CN=C(C=N[O-])S1)C(=O)C1=CC(=O)[N-]O1	REAL300030749943	0	41	-2.0	-95.91	361.30	0.53	-95.38
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030749973	1	41	-2.0	-94.49	357.50	3.02	-91.47
CSC1=NC=C(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030749997	1	44	-2.0	-87.63	355.67	-0.24	-87.87
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)NC([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030750005	0	42	-2.0	-118.49	339.15	-1.41	-119.90
CCN1[N-]C(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030750082	0	45	-2.0	-101.69	373.15	2.11	-99.58
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)N(C)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030750100	0	42	-2.0	-100.88	350.35	1.18	-99.70
CN(C[C@H]1CCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030750115	0	42	-2.0	-87.90	367.37	-0.71	-88.61
CN(C[C@H]1CCCN1C(=O)CC1=CC(=O)N[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030750264	1	42	-2.0	-93.29	352.02	0.01	-93.28
CN(C[C@H]1CCCN1C(=O)C1=CC=C([O-])C(F)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030750271	1	42	-2.0	-90.21	335.57	1.98	-88.23
CN(C[C@H]1CCCN1C(=O)C1=CC(F)=C([O-])C(F)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030750324	0	42	-2.0	-89.38	339.11	1.99	-87.39
CN(C[C@H]1CCCN1C(=O)C1=CC=NC(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030750329	0	41	-2.0	-92.09	338.15	2.10	-89.99
CC1=C(CC(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300030750346	0	48	-2.0	-96.35	394.37	2.40	-93.95
CC1=CN=C(C(=O)N2CCC[C@@H]2CN(C)C(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030750392	1	44	-2.0	-99.69	360.30	3.91	-95.78
CN(C[C@H]1CCCN1C(=O)C1=CC([O-])=CS1)C(=O)C1=CC(=O)[N-]O1	REAL300030750423	0	39	-2.0	-94.04	335.06	1.44	-92.60
CN(C[C@H]1CCCN1C(=O)C1=CN([O-])C(=O)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030750443	0	42	-2.0	-97.13	332.31	2.34	-94.79
CN(C[C@H]1CCCN1C(=O)C1=CC(F)=CC(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030750449	0	42	-2.0	-89.89	348.66	4.17	-85.72
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300030750493	0	42	-2.0	-99.49	360.76	0.45	-99.04
CN(C[C@H]1CCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030750528	1	43	-2.0	-82.39	369.19	1.72	-80.67
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300030751052	1	45	-2.0	-88.92	395.92	-0.98	-89.90
O=C(CCCN1C(=O)[N-]NC1=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751718	0	46	-2.0	-93.80	408.06	-3.39	-97.19
O=C(CCC1=NNC(=O)[N-]C1=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030751944	0	44	-2.0	-93.25	395.76	-6.11	-99.36
CC(=O)[N-]C1=NC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030751945	1	42	-2.0	-85.82	389.84	-2.54	-88.36
O=C(CCN1C=C[N-]C(=O)C1=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030752112	1	45	-2.0	-101.17	401.50	-1.98	-103.15
COC1=C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030752226	1	43	-2.0	-93.61	385.02	-4.85	-98.46
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]C1=O	REAL300030752347	0	38	-2.0	-93.15	351.43	-6.24	-99.39
O=C(CN1C(=O)[N-]NC1=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030752468	0	40	-2.0	-94.66	365.54	-4.59	-99.25
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)C=C1	REAL300030753357	0	40	-2.0	-105.92	362.50	-0.10	-106.02
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)NC([O-])=C1	REAL300030753526	0	40	-2.0	-88.28	362.80	-4.93	-93.21
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300030753539	1	36	-2.0	-89.06	335.04	-5.16	-94.22
O=C([N-]CCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)(F)F	REAL300030753663	0	35	-2.0	-83.40	341.14	-1.84	-85.24
CCN1[N-]C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030753773	0	43	-2.0	-91.76	384.41	-1.53	-93.29
O=C(CC1=CC(=O)N[N-]1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753781	1	40	-2.0	-97.08	360.53	-3.55	-100.63
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=S)N1[O-]	REAL300030753805	0	40	-2.0	-122.83	371.06	1.94	-120.89
O=C(CC1SC(=O)[N-]C1=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030753820	0	40	-2.0	-88.79	373.65	-5.03	-93.82
CN1N=C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030753839	0	39	-2.0	-95.17	356.95	-3.88	-99.05
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300030753961	0	38	-2.0	-81.54	343.92	-1.95	-83.49
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=C2N=NN([O-])C2=C1	REAL300030754001	0	42	-2.0	-102.42	379.06	-1.59	-104.01
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300030754102	0	37	-2.0	-88.49	339.87	-4.17	-92.66
C[PH](C)([O-])C(=O)C(=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754107	0	42	-2.0	-88.31	372.62	-2.78	-91.09
O=C(CCC1=NC(=O)NN1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754148	0	42	-2.0	-102.48	375.79	-4.51	-106.99
O=C(CCC1=NC(=O)[N-]N1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754148	1	42	-2.0	-102.48	375.79	-4.51	-106.99
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300030754156	0	40	-2.0	-100.11	360.10	0.06	-100.05
CSC1=NC=C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030754177	0	42	-2.0	-88.43	386.08	-2.06	-90.49
CSC1=NC=C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030754177	1	42	-2.0	-88.43	386.08	-2.06	-90.49
CC1SC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300030754202	0	39	-2.0	-95.82	366.24	-3.97	-99.79
CC1=C([O-])N=C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030754202	1	39	-2.0	-95.82	366.24	-3.97	-99.79
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)N1	REAL300030754223	0	39	-2.0	-85.24	370.02	-0.87	-86.11
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300030754223	1	39	-2.0	-85.24	370.02	-0.87	-86.11
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300030754245	0	40	-2.0	-107.15	362.87	-0.11	-107.26
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300030754305	0	40	-2.0	-119.57	359.95	0.90	-118.67
NC1=NC([O-])=C(CC(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030754478	0	41	-2.0	-109.10	381.03	-5.05	-114.15
O=C(CC1=NC([O-])=CS1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030754541	0	39	-2.0	-107.84	366.38	-4.26	-112.10
CCC1=NC=C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030754567	0	44	-2.0	-87.33	385.00	-1.65	-88.98
CCC1=NC=C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030754567	1	44	-2.0	-87.33	385.00	-1.65	-88.98
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C(Cl)C(=O)[N-]S1	REAL300030754661	0	36	-2.0	-89.63	357.43	-2.86	-92.49
COCC1=NC=C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030754772	1	45	-2.0	-88.24	397.94	-3.40	-91.64
CC1=CC(=O)C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030754877	0	41	-2.0	-92.48	368.42	-0.28	-92.76
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)N[N-]1	REAL300030754896	0	36	-2.0	-88.95	334.46	-5.47	-94.42
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030754921	1	41	-2.0	-88.91	376.88	-1.07	-89.98
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C=N[O-])S1	REAL300030755062	0	39	-2.0	-103.48	375.24	-2.59	-106.07
COC1=NC(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030755082	0	42	-2.0	-93.20	380.42	-6.09	-99.29
CN1[N-]C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030755306	0	40	-2.0	-91.06	362.68	-2.46	-93.52
O=C(CSC1=NNC(=O)[N-]1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755318	0	40	-2.0	-94.36	376.85	-4.35	-98.71
CC1=C(C(=O)NCCOC2CN(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300030755319	1	42	-2.0	-99.45	390.28	-3.06	-102.51
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300030755538	0	38	-2.0	-92.13	352.82	-7.15	-99.28
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300030755538	1	38	-2.0	-85.96	353.47	-6.39	-92.35
O=C(COC1=NC(=O)[N-]C(=O)N1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755611	0	42	-2.0	-96.88	386.76	-8.03	-104.91
O=C(COC1=NC(=O)NC(=O)[N-]1)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755611	1	42	-2.0	-90.22	386.70	-7.98	-98.20
O=C(CN1[N-]C(=O)C=CC1=O)NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030755754	0	42	-2.0	-95.49	381.65	-3.60	-99.09
O=C(NCCOC1CN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030756011	1	39	-2.0	-104.78	351.10	-0.34	-105.12
O=C(CCN1C=C[N-]C(=O)C1=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030756134	1	45	-2.0	-100.40	403.39	-1.78	-102.18
CC(=O)[N-]C1=NC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030756146	1	42	-2.0	-86.03	389.38	-2.25	-88.28
O=C(NCCOC1CN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300030756180	0	38	-2.0	-95.31	350.70	-5.99	-101.30
COC1=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030756235	1	43	-2.0	-97.20	382.51	-4.82	-102.02
O=C(CN1C(=O)[N-]NC1=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030756412	0	40	-2.0	-97.84	367.43	-4.39	-102.23
O=C(CCCN1C(=O)[N-]NC1=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030757439	0	46	-2.0	-95.91	409.95	-3.19	-99.10
O=C(NCCOC1CN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300030757657	1	45	-2.0	-103.86	394.59	-0.19	-104.05
O=C(CCC1=NNC(=O)[N-]C1=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758547	0	44	-2.0	-93.71	397.65	-5.92	-99.63
O=C(NCCOC1CN(C(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030758557	0	42	-2.0	-95.13	380.59	0.86	-94.27
O=C(NCCOC1CN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030758571	1	40	-2.0	-100.17	371.34	1.19	-98.98
N#CC1=CC([O-])=CC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030758603	1	41	-2.0	-87.11	375.33	-0.56	-87.67
NC1=CC=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1Cl	REAL300030758630	0	42	-2.0	-105.69	383.10	-0.84	-106.53
O=C(NCCOC1CN(C(=O)C2=CC=CC([N+](=O)[O-])=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030758694	0	42	-2.0	-108.51	380.62	1.99	-106.52
CCC1=NC=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030758727	1	44	-2.0	-102.53	383.51	-0.78	-103.31
O=C(NCCOC1CN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030758752	1	36	-2.0	-89.27	334.62	-4.49	-93.76
O=C(NCCOC1CN(C(=O)C2=CC=CC([O-])=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300030758834	0	42	-2.0	-106.91	383.74	0.69	-106.22
O=C(C[N-]C(=O)C(F)(F)F)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758852	0	39	-2.0	-89.82	371.88	-4.10	-93.92
NC1=NC([O-])=C(CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030758853	0	41	-2.0	-111.65	383.08	-4.93	-116.58
O=C(NCCOC1CN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300030758864	0	40	-2.0	-88.20	375.00	-0.50	-88.70
O=C(NCCOC1CN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300030758887	1	40	-2.0	-92.78	361.30	-0.77	-93.55
O=C(NCCOC1CN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300030758896	0	39	-2.0	-89.31	359.47	-1.39	-90.70
N#CC1=CC=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300030758907	1	41	-2.0	-97.33	374.79	-0.54	-97.87
O=C(NCCOC1CN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030758911	0	39	-2.0	-96.93	364.48	-0.64	-97.57
N#CC1=CC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=C(N)[N-]C1=O	REAL300030758918	0	42	-2.0	-90.74	390.22	-3.53	-94.27
O=C(CN1N=CC(=O)[N-]C1=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030758935	0	41	-2.0	-102.64	377.77	-5.51	-108.15
CC1=CC=C([O-])C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030759025	1	42	-2.0	-105.63	372.71	0.25	-105.38
O=C(CCC1=NC(=O)[N-]N1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759028	1	42	-2.0	-98.72	377.68	-4.30	-103.02
O=C(NCCOC1CN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300030759051	0	38	-2.0	-92.95	342.72	-1.21	-94.16
O=C(NCCOC1CN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030759065	0	40	-2.0	-107.99	361.06	0.67	-107.32
O=C(NCCOC1CN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300030759192	1	40	-2.0	-104.03	361.35	-0.84	-104.87
O=C(NCCOC1CN(C(=O)C2=CC=C([N+](=O)[O-])C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030759273	0	42	-2.0	-97.01	380.63	0.83	-96.18
O=C(NCCOC1CN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030759339	0	37	-2.0	-89.88	339.47	-3.93	-93.81
C[PH](C)([O-])C(=O)C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030759347	0	42	-2.0	-89.49	372.57	-2.81	-92.30
COCC1=NC=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030759415	0	45	-2.0	-102.42	396.44	-2.54	-104.96
COCC1=NC=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030759415	1	45	-2.0	-102.42	396.44	-2.54	-104.96
O=C(NCCOC1CN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300030759476	0	40	-2.0	-105.77	360.48	-0.35	-106.12
O=C(NCCOC1CN(C(=O)C2=NNC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030759511	0	36	-2.0	-93.63	334.05	-5.39	-99.02
O=C(NCCOC1CN(C(=O)C2=C(O)C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030759516	0	40	-2.0	-96.80	377.96	-0.12	-96.92
O=C(NCCOC1CN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030759516	1	40	-2.0	-96.80	377.96	-0.12	-96.92
O=C(NCCOC1CN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300030759524	0	40	-2.0	-117.93	368.38	-0.06	-117.99
O=C(NCCOC1CN(C(=O)C2=C(F)C=CC(O)=C2F)C1)C1=CC(=O)[N-]O1	REAL300030759562	0	40	-2.0	-94.67	374.87	-0.60	-95.27
O=C(NCCOC1CN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300030759562	1	40	-2.0	-94.67	374.87	-0.60	-95.27
O=C(NCCOC1CN(C(=O)C2=CC(F)=CC=C2O)C1)C1=CC(=O)[N-]O1	REAL300030759762	0	40	-2.0	-99.54	361.02	0.75	-98.79
O=C(NCCOC1CN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030759762	1	40	-2.0	-99.54	361.02	0.75	-98.79
CC1=CC=NC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300030759856	1	42	-2.0	-104.69	371.47	0.35	-104.34
O=C(NCCOC1CN(C(=O)C2=CC=C(Cl)C(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030759915	0	40	-2.0	-103.81	376.95	1.25	-102.56
O=C(NCCOC1CN(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030760036	1	39	-2.0	-89.87	349.50	-2.72	-92.59
O=C(NCCOC1CN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300030760049	0	40	-2.0	-126.19	368.77	1.72	-124.47
NC1=CC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=CC([O-])=C1Cl	REAL300030760210	1	42	-2.0	-91.86	383.18	-2.44	-94.30
O=C(NCCOC1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=CC(=O)[N-]O1	REAL300030760215	0	39	-2.0	-86.01	369.44	-1.54	-87.55
O=C(NCCOC1CN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030760280	1	40	-2.0	-91.18	369.47	-0.32	-91.50
N#CC1=CC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=C([O-])C=C1N	REAL300030760283	0	43	-2.0	-98.77	388.29	-1.03	-99.80
O=C(CC1=NC([O-])=CS1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760295	0	39	-2.0	-111.27	368.27	-4.05	-115.32
O=C(NCCOC1CN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=CC(=O)[N-]O1	REAL300030760317	0	40	-2.0	-97.98	368.47	-0.50	-98.48
O=C(CN1[N-]C(=O)C=CC1=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760320	0	42	-2.0	-98.09	383.54	-3.40	-101.49
O=C(NCCOC1CN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030760322	0	40	-2.0	-102.24	361.05	0.76	-101.48
CC1=CC=C(F)C([O-])=C1C(=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760370	0	43	-2.0	-100.63	387.94	-0.02	-100.65
O=C(CC1SC(=O)[N-]C1=O)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760460	0	40	-2.0	-88.39	375.97	-4.82	-93.21
O=C(NCCOC1CN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=CC(=O)[N-]O1	REAL300030760493	0	40	-2.0	-94.40	367.33	-0.69	-95.09
O=C(NCCOC1CN(C(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300030760496	1	41	-2.0	-89.86	384.65	-2.08	-91.94
O=C(NCCOC1CN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030760502	0	40	-2.0	-102.77	370.87	1.15	-101.62
CC1=CC(=O)C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030760538	0	41	-2.0	-94.99	367.89	-0.12	-95.11
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760544	0	45	-2.0	-108.10	399.95	-0.40	-108.50
O=C(NCCOC1CN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300030760576	0	40	-2.0	-123.45	357.65	0.68	-122.77
N#CC1=CC=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030760622	0	40	-2.0	-97.30	378.05	-2.35	-99.65
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760623	0	42	-2.0	-94.43	388.65	-7.80	-102.23
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030760623	1	42	-2.0	-90.49	388.62	-7.80	-98.29
O=C(NCCOC1CN(C(=O)C2=CC([O-])=CC=C2[N+](=O)[O-])C1)C1=CC(=O)[N-]O1	REAL300030760653	0	42	-2.0	-88.40	385.20	0.86	-87.54
CN1N=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030760697	0	39	-2.0	-97.79	356.96	-3.82	-101.61
[N-]=[N+]=NC1=CC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=CC=C1[O-]	REAL300030760732	0	42	-2.0	-87.81	382.22	-3.05	-90.86
O=C(NCCOC1CN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C1=CC(=O)[N-]O1	REAL300030760775	0	41	-2.0	-99.02	379.18	-2.43	-101.45
O=C(NCCOC1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030760775	1	41	-2.0	-99.02	379.18	-2.43	-101.45
N#CC1=CC=C([O-])C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030760786	0	41	-2.0	-96.72	375.44	1.10	-95.62
O=C(NCCOC1CN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=CC(=O)[N-]O1	REAL300030760918	0	40	-2.0	-93.90	363.92	-1.61	-95.51
O=C(NCCOC1CN(C(=O)C2=CC(Cl)=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030760955	0	40	-2.0	-96.18	377.13	1.25	-94.93
O=C(NCCOC1CN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030760987	1	40	-2.0	-93.37	360.69	-0.87	-94.24
O=C(NCCOC1CN(C(=O)C2=C([O-])C3=NC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030760996	1	45	-2.0	-114.14	396.46	0.98	-113.16
O=C(NCCOC1CN(C(=O)C2=CC=C([N+](=O)[O-])C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030760999	0	42	-2.0	-98.61	382.80	1.35	-97.26
O=C(NCCOC1CN(C(=O)C2=CC([N+](=O)[O-])=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030761002	0	42	-2.0	-92.30	383.12	1.19	-91.11
O=C(NCCOC1CN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030761015	1	40	-2.0	-102.20	371.37	1.20	-101.00
O=C(NCCOC1CN(C(=O)C2=CC([O-])=CC([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030761036	0	42	-2.0	-86.40	382.69	-0.28	-86.68
O=C(NCCOC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300030761119	0	38	-2.0	-86.16	352.87	-5.89	-92.05
O=C(NCCOC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030761119	1	38	-2.0	-86.16	352.87	-5.89	-92.05
O=C(NCCOC1CN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C1)C1=CC(=O)[N-]O1	REAL300030761153	0	42	-2.0	-93.61	376.73	-1.87	-95.48
O=C(NCCOC1CN(C(=O)C2=C(O)C3=CC=CC=C3C=N2)C1)C1=CC(=O)[N-]O1	REAL300030761196	0	45	-2.0	-109.98	396.30	2.00	-107.98
O=C(NCCOC1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=N2)C1)C1=CC(=O)[N-]O1	REAL300030761196	1	45	-2.0	-109.98	396.30	2.00	-107.98
O=C(NCCOC1CN(C(=O)C2=C(Cl)C(=O)[N-]S2)C1)C1=CC(=O)[N-]O1	REAL300030761197	0	36	-2.0	-90.96	355.21	-2.94	-93.90
NC1=NC=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030761221	0	40	-2.0	-101.24	366.53	-3.51	-104.75
NC1=NC=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030761221	1	40	-2.0	-101.24	366.53	-3.51	-104.75
CC1=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C(=O)C(C#N)=C1	REAL300030761253	0	43	-2.0	-86.04	389.02	-0.95	-86.99
O=C(NCCOC1CN(C(=O)C2=CC(F)=C([O-])C(Cl)=C2)C1)C1=CC(=O)[N-]O1	REAL300030761334	0	40	-2.0	-90.77	376.67	-0.27	-91.04
O=C(NCCOC1CN(C(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030761340	0	41	-2.0	-88.35	374.58	-1.42	-89.77
O=C(NCCOC1CN(C(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030761340	1	41	-2.0	-88.35	374.58	-1.42	-89.77
O=C(NCCOC1CN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C1)C1=CC(=O)[N-]O1	REAL300030761349	0	42	-2.0	-99.74	383.05	-2.10	-101.84
O=C(NCCOC1CN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030761362	0	39	-2.0	-100.76	367.33	0.18	-100.58
O=C(CC1=CC=C(O)C(Cl)=C1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761368	0	43	-2.0	-101.83	399.42	0.76	-101.07
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761368	1	43	-2.0	-101.83	399.42	0.76	-101.07
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300030761430	0	36	-2.0	-93.15	334.44	-3.60	-96.75
CC1SC(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=NC1=O	REAL300030761465	0	39	-2.0	-95.15	366.30	-3.54	-98.69
CC1=C([O-])N=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030761465	1	39	-2.0	-95.15	366.30	-3.54	-98.69
O=C(NCCOC1CN(C(=O)C2=C(O)C=CC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300030761516	0	46	-2.0	-109.33	407.38	1.65	-107.68
O=C(NCCOC1CN(C(=O)C2=C([O-])C=CC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300030761516	1	46	-2.0	-109.33	407.38	1.65	-107.68
O=C(NCCOC1CN(C(=O)C2=C(O)C3=CC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030761536	0	46	-2.0	-108.51	399.50	3.00	-105.51
O=C(NCCOC1CN(C(=O)C2=C([O-])C3=CC=CC=C3C=C2)C1)C1=CC(=O)[N-]O1	REAL300030761536	1	46	-2.0	-108.51	399.50	3.00	-105.51
O=C(NCCOC1CN(C(=O)C2=CC3=CC=CC=C3C=C2O)C1)C1=CC(=O)[N-]O1	REAL300030761544	0	46	-2.0	-110.92	400.64	2.97	-107.95
O=C(NCCOC1CN(C(=O)C2=CC3=CC=CC=C3C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030761544	1	46	-2.0	-110.92	400.64	2.97	-107.95
O=C(NCCOC1CN(C(=O)C(=O)C2=CC=C(O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300030761596	0	42	-2.0	-91.56	376.98	-0.68	-92.24
O=C(NCCOC1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300030761596	1	42	-2.0	-91.56	376.98	-0.68	-92.24
O=C(NCCOC1CN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=CC(=O)[N-]O1	REAL300030761633	0	39	-2.0	-101.47	372.88	-2.68	-104.15
O=C(NCCOC1CN(C(=O)C2=CC(=O)C=C(Cl)N2)C1)C1=CC(=O)[N-]O1	REAL300030761668	0	39	-2.0	-86.69	369.11	-0.52	-87.21
O=C(NCCOC1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030761668	1	39	-2.0	-86.69	369.11	-0.52	-87.21
CSC1=NC=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030761694	0	42	-2.0	-101.85	394.47	-2.34	-104.19
CSC1=NC=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030761694	1	42	-2.0	-101.85	394.47	-2.34	-104.19
O=C(NCCOC1CN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030761702	0	40	-2.0	-88.54	360.61	-5.27	-93.81
CCN1[N-]C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030761783	0	43	-2.0	-93.53	384.01	-1.30	-94.83
CN1[N-]C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030761805	0	40	-2.0	-92.64	362.20	-2.23	-94.87
O=C(CSC1=NNC(=O)[N-]1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030761822	0	40	-2.0	-93.34	378.74	-4.13	-97.47
CC1=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C(=S)NC(=O)N1	REAL300030761824	0	42	-2.0	-100.87	392.15	-2.86	-103.73
CC1=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300030761824	1	42	-2.0	-100.87	392.15	-2.86	-103.73
O=C(NCCOC1CN(C(=O)C2=C([O-])C=NC3=CC=CC=C32)C1)C1=CC(=O)[N-]O1	REAL300030761895	1	45	-2.0	-98.20	402.01	-0.25	-98.45
O=C(CC1=CC(=O)N[N-]1)N1CC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030762001	1	40	-2.0	-99.48	362.42	-3.41	-102.89
O=C(NCCOC1CN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300030762007	1	40	-2.0	-94.97	360.67	-0.83	-95.80
O=C(NCCOC1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300030762069	0	40	-2.0	-93.39	366.87	-0.76	-94.15
O=C(NCCOC1CN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030762075	0	39	-2.0	-101.49	363.79	-0.62	-102.11
CC1=C(CC(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300030762096	0	46	-2.0	-100.17	405.29	-0.94	-101.11
CC1=CN=C(C(=O)N2CC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030762146	1	42	-2.0	-104.95	372.68	0.20	-104.75
O=C(NCCOC1CN(C(=O)C2=C(O)C=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030762161	0	41	-2.0	-97.39	388.90	-2.79	-100.18
O=C(NCCOC1CN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300030762182	0	37	-2.0	-100.05	346.66	-1.81	-101.86
O=C(NCCOC1CN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300030762204	0	40	-2.0	-105.35	360.06	-0.36	-105.71
O=C(NCCOC1CN(C(=O)C2=CC(F)=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030762210	0	40	-2.0	-95.92	377.05	1.29	-94.63
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)NC1=O	REAL300030762262	0	40	-2.0	-88.88	365.35	-2.46	-91.34
O=C(NCCOC1CN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030762297	1	41	-2.0	-79.81	376.39	-1.85	-81.66
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]C1=O	REAL300030763564	0	41	-2.0	-92.73	366.53	-5.45	-98.18
O=C(CN1C(=O)[N-]NC1=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030763650	0	43	-2.0	-93.37	380.65	-3.79	-97.16
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)C=C1	REAL300030764264	0	43	-2.0	-106.80	376.65	0.70	-106.10
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)NC([O-])=C1	REAL300030764380	0	43	-2.0	-89.68	378.07	-4.21	-93.89
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=COC(=O)[N-]1	REAL300030764391	1	39	-2.0	-92.33	350.14	-4.38	-96.71
O=C([N-]CCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C(F)(F)C(F)(F)F	REAL300030764482	1	38	-2.0	-83.24	355.29	-1.03	-84.27
CCN1[N-]C(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030764563	0	46	-2.0	-92.39	399.51	-0.74	-93.13
O=C(CC1=CC(=O)N[N-]1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764571	1	43	-2.0	-95.72	375.63	-2.75	-98.47
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=S)N1[O-]	REAL300030764589	0	43	-2.0	-118.65	386.16	2.73	-115.92
O=C(CC1SC(=O)[N-]C1=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764598	0	43	-2.0	-87.37	388.75	-4.25	-91.62
CN1N=C(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030764614	0	42	-2.0	-95.30	372.29	-3.17	-98.47
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=C[N-]N=CC1=O	REAL300030764704	0	41	-2.0	-84.12	359.19	-1.23	-85.35
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N[N-]1	REAL300030764810	0	40	-2.0	-89.56	354.97	-3.38	-92.94
C[PH](C)([O-])C(=O)C(=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764815	0	45	-2.0	-88.07	386.96	-2.04	-90.11
O=C(CCC1=NNC(=O)[N-]1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030764843	0	45	-2.0	-93.78	390.02	-3.18	-96.96
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CN([O-])C1=O	REAL300030764847	0	43	-2.0	-106.57	375.20	0.85	-105.72
CC1=C([O-])N=C(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030764875	1	42	-2.0	-99.92	381.51	-3.25	-103.17
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)C=C(Cl)[N-]1	REAL300030764889	1	42	-2.0	-86.15	385.12	-0.08	-86.23
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)N([O-])C=C1	REAL300030764906	0	43	-2.0	-105.18	377.98	0.68	-104.50
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC=CC(=O)N1[O-]	REAL300030764941	0	43	-2.0	-116.06	375.05	1.69	-114.37
O=C(C[N-]C(=O)C(F)(F)F)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765067	0	42	-2.0	-89.37	384.13	-3.49	-92.86
NC1=NC([O-])=C(CC(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030765068	0	44	-2.0	-107.24	396.30	-4.34	-111.58
O=C(CC1=NC([O-])=CS1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765116	0	42	-2.0	-110.98	380.52	-3.46	-114.44
CCC1=NC=C(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030765134	1	47	-2.0	-91.47	400.10	-0.86	-92.33
O=C(CN1N=CC(=O)[N-]C1=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765143	0	44	-2.0	-97.73	390.98	-4.90	-102.63
CC1=CC(=O)C(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030765354	0	44	-2.0	-92.90	383.69	0.42	-92.48
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NNC(=O)[N-]1	REAL300030765369	0	39	-2.0	-92.72	349.46	-4.84	-97.56
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN=C(C=N[O-])S1	REAL300030765484	0	42	-2.0	-101.50	390.34	-1.80	-103.30
COC1=NC(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030765498	0	45	-2.0	-92.52	395.69	-5.37	-97.89
CN1[N-]C(C(=O)NCCOC2CCN(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030765654	0	43	-2.0	-91.81	377.78	-1.67	-93.48
O=C(CSC1=NNC(=O)[N-]1)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765661	0	43	-2.0	-92.76	391.95	-3.55	-96.31
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)[N-]C(=O)N1	REAL300030765821	0	41	-2.0	-95.14	368.09	-6.44	-101.58
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=NC(=O)NC(=O)[N-]1	REAL300030765821	1	41	-2.0	-87.92	368.74	-5.69	-93.61
O=C(CN1[N-]C(=O)C=CC1=O)NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1	REAL300030765966	0	45	-2.0	-94.25	396.76	-2.81	-97.06
O=C(NCCOC1CCN(C(=O)C2=NC=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030766219	1	42	-2.0	-107.59	366.27	0.61	-106.98
O=C(NCCOC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C1)C1=CC(=O)[N-]O1	REAL300030766345	0	41	-2.0	-92.83	365.90	-5.15	-97.98
O=C(CN1C(=O)[N-]NC1=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030766510	0	43	-2.0	-100.82	383.52	-3.65	-104.47
O=C(NCCOC1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030767904	1	43	-2.0	-96.35	388.83	1.34	-95.01
N#CC1=CC([O-])=CC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030767929	1	44	-2.0	-96.07	389.56	0.16	-95.91
CCC1=NC=C(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030768014	1	47	-2.0	-104.00	409.24	-1.10	-105.10
O=C(NCCOC1CCN(C(=O)C2=COC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030768033	1	39	-2.0	-90.31	349.77	-3.34	-93.65
O=C(C[N-]C(=O)C(F)(F)F)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768100	0	42	-2.0	-91.42	388.03	-3.36	-94.78
NC1=NC([O-])=C(CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030768101	0	44	-2.0	-114.13	399.18	-4.17	-118.30
O=C(NCCOC1CCN(C(=O)C2=C(F)C=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300030768111	0	43	-2.0	-89.54	391.16	0.25	-89.29
O=C(NCCOC1CCN(C(=O)C2=CC=C([O-])C=C2F)C1)C1=CC(=O)[N-]O1	REAL300030768126	1	43	-2.0	-93.27	378.61	0.00	-93.27
O=C(NCCOC1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C1)C1=CC(=O)[N-]O1	REAL300030768132	0	42	-2.0	-90.47	374.64	-0.64	-91.11
N#CC1=CC=C(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C=C1[O-]	REAL300030768139	1	44	-2.0	-101.98	388.75	0.21	-101.77
O=C(NCCOC1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030768142	0	42	-2.0	-96.24	383.81	-0.51	-96.75
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768160	0	44	-2.0	-105.49	393.87	-4.76	-110.25
CC1=CC=C([O-])C(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030768222	1	45	-2.0	-108.48	387.88	1.19	-107.29
O=C(CCC1=NNC(=O)[N-]1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768224	0	45	-2.0	-95.13	393.86	-3.00	-98.13
O=C(NCCOC1CCN(C(=O)C2=C[N-]N=CC2=O)C1)C1=CC(=O)[N-]O1	REAL300030768240	0	41	-2.0	-94.22	368.13	-1.43	-95.65
O=C(NCCOC1CCN(C(=O)C2=CC=CC(F)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030768249	0	43	-2.0	-108.25	378.15	1.05	-107.20
O=C(NCCOC1CCN(C(=O)C2=CC=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300030768338	1	43	-2.0	-103.89	378.42	0.00	-103.89
O=C(NCCOC1CCN(C(=O)C2=CC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030768442	0	40	-2.0	-90.35	353.76	-3.04	-93.39
C[PH](C)([O-])C(=O)C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030768448	0	45	-2.0	-93.79	387.01	-1.92	-95.71
O=C(NCCOC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300030768542	0	43	-2.0	-114.48	374.57	0.35	-114.13
O=C(NCCOC1CCN(C(=O)C2=NC(=O)N[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030768567	0	39	-2.0	-88.16	349.41	-3.94	-92.10
O=C(NCCOC1CCN(C(=O)C2=C(O)C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030768570	0	43	-2.0	-104.67	394.12	0.62	-104.05
O=C(NCCOC1CCN(C(=O)C2=C([O-])C=CC=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030768570	1	43	-2.0	-104.67	394.12	0.62	-104.05
O=C(NCCOC1CCN(C(=O)C2=CC=CN([O-])C2=O)C1)C1=CC(=O)[N-]O1	REAL300030768574	0	43	-2.0	-121.73	384.46	0.68	-121.05
O=C(NCCOC1CCN(C(=O)C2=C(F)C=CC(O)=C2F)C1)C1=CC(=O)[N-]O1	REAL300030768603	0	43	-2.0	-92.37	390.97	0.22	-92.15
O=C(NCCOC1CCN(C(=O)C2=C(F)C=CC([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300030768603	1	43	-2.0	-92.37	390.97	0.22	-92.15
O=C(NCCOC1CCN(C(=O)C2=CC(F)=CC=C2O)C1)C1=CC(=O)[N-]O1	REAL300030768744	0	43	-2.0	-95.93	378.52	0.90	-95.03
O=C(NCCOC1CCN(C(=O)C2=CC(F)=CC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030768744	1	43	-2.0	-95.93	378.52	0.90	-95.03
CC1=CC=NC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=C1O	REAL300030768808	0	45	-2.0	-107.47	386.60	1.30	-106.17
CC1=CC=NC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300030768808	1	45	-2.0	-107.47	386.60	1.30	-106.17
O=C(NCCOC1CCN(C(=O)C2=CN=CC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030768916	1	42	-2.0	-89.06	363.79	-2.00	-91.06
O=C(NCCOC1CCN(C(=O)C2=CC=CC(=S)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300030768926	0	43	-2.0	-113.19	395.32	1.12	-112.07
O=C(NCCOC1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C1)C1=CC(=O)[N-]O1	REAL300030769036	0	42	-2.0	-87.16	384.57	-0.57	-87.73
O=C(NCCOC1CCN(C(=O)C2=CC=C([O-])C=C2Cl)C1)C1=CC(=O)[N-]O1	REAL300030769076	1	43	-2.0	-92.03	387.21	0.43	-91.60
O=C(CC1=NC([O-])=CS1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769087	0	42	-2.0	-107.74	384.40	-3.30	-111.04
O=C(NCCOC1CCN(C(=O)C2=C([O-])C=CC=C2F)C1)C1=CC(=O)[N-]O1	REAL300030769102	0	43	-2.0	-99.63	384.63	0.25	-99.38
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769104	0	45	-2.0	-101.16	399.64	-2.66	-103.82
O=C(NCCOC1CCN(C(=O)C2=CC=C(F)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030769105	0	43	-2.0	-102.18	378.37	1.01	-101.17
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769138	0	46	-2.0	-100.98	403.52	0.80	-100.18
O=C(CC1SC(=O)[N-]C1=O)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030769204	0	43	-2.0	-89.76	392.12	-4.07	-93.83
O=C(NCCOC1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C1)C1=CC(=O)[N-]O1	REAL300030769229	0	43	-2.0	-94.62	384.67	0.08	-94.54
O=C(NCCOC1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030769235	0	43	-2.0	-103.23	387.96	1.53	-101.70
CC1=CC(=O)C(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030769264	0	44	-2.0	-92.56	383.09	0.71	-91.85
O=C(NCCOC1CCN(C(=O)C2=CC=CC(=O)N2[O-])C1)C1=CC(=O)[N-]O1	REAL300030769289	0	43	-2.0	-111.16	384.21	0.49	-110.67
N#CC1=CC=C(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030769318	0	43	-2.0	-100.18	394.17	-1.60	-101.78
CN1N=C(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)[N-]C1=O	REAL300030769366	0	42	-2.0	-102.38	371.25	-2.85	-105.23
O=C(NCCOC1CCN(C(=O)C2=C(F)C=CC(O)=C2O)C1)C1=CC(=O)[N-]O1	REAL300030769419	0	44	-2.0	-97.17	395.34	-1.68	-98.85
O=C(NCCOC1CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030769419	1	44	-2.0	-97.17	395.34	-1.68	-98.85
N#CC1=CC=C([O-])C(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=C1	REAL300030769428	0	44	-2.0	-93.32	392.96	1.25	-92.07
O=C(NCCOC1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C1)C1=CC(=O)[N-]O1	REAL300030769516	0	43	-2.0	-95.17	389.56	-1.90	-97.07
O=C(NCCOC1CCN(C(=O)C2=CC=C(F)C(O)=C2)C1)C1=CC(=O)[N-]O1	REAL300030769568	0	43	-2.0	-106.23	374.81	-0.17	-106.40
O=C(NCCOC1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030769568	1	43	-2.0	-106.23	374.81	-0.17	-106.40
O=C(NCCOC1CCN(C(=O)C2=CC=C(Cl)C=C2O)C1)C1=CC(=O)[N-]O1	REAL300030769586	0	43	-2.0	-102.25	388.68	1.47	-100.78
O=C(NCCOC1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030769586	1	43	-2.0	-102.25	388.68	1.47	-100.78
O=C(NCCOC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C1)C1=CC(=O)[N-]O1	REAL300030769655	0	41	-2.0	-90.17	367.43	-5.58	-95.75
O=C(NCCOC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030769655	1	41	-2.0	-87.45	368.03	-4.82	-92.27
NC1=NC=C(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030769712	1	43	-2.0	-104.45	382.61	-2.76	-107.21
O=C(NCCOC1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)C1)C1=CC(=O)[N-]O1	REAL300030769746	0	43	-2.0	-103.05	384.62	0.06	-102.99
COC1=NC(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030769789	0	45	-2.0	-96.16	393.39	-4.58	-100.74
O=C(NCCOC1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030769799	0	42	-2.0	-103.45	382.47	1.13	-102.32
O=C(NCCOC1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030769837	0	43	-2.0	-102.11	384.61	0.32	-101.79
O=C(NCCOC1CCN(C(=O)C2=CC=NC=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030769846	0	42	-2.0	-102.13	366.91	-0.90	-103.03
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CC(=O)[N-]O1	REAL300030769852	0	39	-2.0	-94.34	349.71	-2.90	-97.24
CC1=C([O-])N=C(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030769875	1	42	-2.0	-95.73	381.54	-2.50	-98.23
O=C(NCCOC1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C1)C1=CC(=O)[N-]O1	REAL300030769968	1	45	-2.0	-93.01	392.18	0.10	-92.91
O=C(NCCOC1CCN(C(=O)C2=CN=C(C=N[O-])S2)C1)C1=CC(=O)[N-]O1	REAL300030769988	0	42	-2.0	-103.24	387.46	-1.96	-105.20
O=C(NCCOC1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1)C1=CC(=O)[N-]O1	REAL300030770010	1	42	-2.0	-84.79	384.26	0.44	-84.35
O=C(NCCOC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C1)C1=CC(=O)[N-]O1	REAL300030770030	0	43	-2.0	-89.15	384.68	-4.21	-93.36
CCN1[N-]C(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030770091	0	46	-2.0	-95.46	399.16	-0.45	-95.91
CN1[N-]C(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030770110	0	43	-2.0	-94.54	377.35	-1.39	-95.93
O=C(CSC1=NNC(=O)[N-]1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030770120	0	43	-2.0	-94.58	394.88	-3.36	-97.94
O=C(CC1=CC(=O)N[N-]1)N1CCC(OCCNC(=O)C2=CC(=O)[N-]O2)C1	REAL300030770250	1	43	-2.0	-103.02	378.52	-2.58	-105.60
O=C(NCCOC1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300030770255	1	43	-2.0	-104.36	374.77	-0.13	-104.49
O=C(NCCOC1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C1)C1=CC(=O)[N-]O1	REAL300030770302	0	43	-2.0	-92.82	381.17	-0.06	-92.88
O=C(NCCOC1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C1)C1=CC(=O)[N-]O1	REAL300030770307	0	42	-2.0	-100.07	383.13	-0.47	-100.54
CC1=C(CC(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300030770322	0	49	-2.0	-103.75	421.39	-0.18	-103.93
CC1=CN=C(C(=O)N2CCC(OCCNC(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030770358	1	45	-2.0	-109.06	387.72	1.25	-107.81
O=C(NCCOC1CCN(C(=O)C2=CC([O-])=CS2)C1)C1=CC(=O)[N-]O1	REAL300030770380	0	40	-2.0	-98.42	361.23	-1.12	-99.54
O=C(NCCOC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C1)C1=CC(=O)[N-]O1	REAL300030770396	0	43	-2.0	-100.64	384.94	0.71	-99.93
O=C(NCCOC1CCN(C(=O)C2=CC(=O)[N-]O2)C1)C1=CN([O-])C(=O)NC1=O	REAL300030770424	0	43	-2.0	-90.24	380.45	-1.67	-91.91
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300030771339	0	44	-2.0	-90.13	352.71	-3.03	-93.16
O=C(CN1C(=O)[N-]NC1=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030771400	0	46	-2.0	-92.73	366.77	-1.37	-94.10
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300030771828	0	46	-2.0	-103.25	364.35	3.07	-100.18
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300030771916	0	46	-2.0	-88.50	364.19	-1.79	-90.29
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300030771927	1	42	-2.0	-90.39	336.74	-1.99	-92.38
CCN1[N-]C(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030772051	0	49	-2.0	-88.62	386.27	1.64	-86.98
O=C(CC1=CC(=O)N[N-]1)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772058	1	46	-2.0	-95.28	361.76	-0.34	-95.62
CN1N=C(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030772085	0	45	-2.0	-94.41	358.89	-0.80	-95.21
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300030772148	0	44	-2.0	-82.43	345.33	1.19	-81.24
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300030772219	0	43	-2.0	-88.41	341.57	-1.01	-89.42
C[PH](C)([O-])C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772224	0	48	-2.0	-87.04	374.63	0.32	-86.72
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300030772249	0	46	-2.0	-97.52	361.64	3.29	-94.23
CC1SC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030772270	0	45	-2.0	-97.57	368.11	-0.88	-98.45
CC1=C([O-])N=C(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)S1	REAL300030772270	1	45	-2.0	-97.57	368.11	-0.88	-98.45
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300030772288	0	46	-2.0	-103.75	364.72	3.08	-100.67
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300030772313	0	46	-2.0	-116.25	361.23	4.11	-112.14
O=C(CC1=NC([O-])=CS1)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1	REAL300030772432	0	45	-2.0	-104.92	367.61	-1.05	-105.97
CC1=CC(=O)C(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030772602	0	47	-2.0	-88.40	369.91	2.84	-85.56
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300030772613	0	42	-2.0	-89.79	336.16	-2.30	-92.09
CN1[N-]C(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030772814	0	46	-2.0	-87.85	364.53	0.72	-87.13
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300030772920	0	44	-2.0	-82.60	354.83	-3.28	-85.88
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300030772920	1	44	-2.0	-82.60	354.83	-3.28	-85.88
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NC=CC=C1O)C1=CC(=O)[N-]O1	REAL300030773275	0	45	-2.0	-102.63	353.27	3.06	-99.57
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030773275	1	45	-2.0	-102.63	353.27	3.06	-99.57
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300030773378	0	44	-2.0	-91.80	352.37	-2.69	-94.49
O=C(CN1C(=O)[N-]NC1=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030773486	0	46	-2.0	-92.39	370.71	-1.29	-93.68
N#CC1=CC([O-])=CC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030774422	1	47	-2.0	-88.58	377.60	2.58	-86.00
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030774492	1	42	-2.0	-85.53	336.18	-0.73	-86.26
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300030774565	1	46	-2.0	-90.73	361.89	2.31	-88.42
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300030774570	0	45	-2.0	-90.57	361.24	1.79	-88.78
N#CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C=C1[O-]	REAL300030774573	1	47	-2.0	-91.84	375.86	2.61	-89.23
CC1=CC=C([O-])C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300030774632	1	48	-2.0	-100.58	374.84	3.61	-96.97
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300030774644	0	44	-2.0	-82.71	341.91	0.77	-81.94
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300030774651	0	46	-2.0	-108.58	361.76	3.64	-104.94
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300030774723	1	46	-2.0	-103.53	362.07	2.29	-101.24
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300030774798	0	43	-2.0	-86.85	341.05	-0.62	-87.47
C[PH](C)([O-])C(=O)C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030774804	0	48	-2.0	-88.53	374.99	0.45	-88.08
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030774863	0	46	-2.0	-102.44	372.12	3.12	-99.32
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300030774880	0	42	-2.0	-85.75	335.95	-1.34	-87.09
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300030774885	0	46	-2.0	-103.63	357.92	2.62	-101.01
NC1=CC(=O)[N-]C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)=N1	REAL300030774972	0	46	-2.0	-95.52	365.07	-0.94	-96.46
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030775005	1	46	-2.0	-96.63	360.91	3.78	-92.85
CC1=CC=NC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)=C1[O-]	REAL300030775052	1	48	-2.0	-99.64	373.78	3.74	-95.90
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030775120	1	45	-2.0	-91.85	350.71	0.38	-91.47
O=C(CC1=NC([O-])=CS1)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030775222	0	45	-2.0	-108.04	371.27	-0.90	-108.94
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=C([O-])C=CC=C1F)C1=CC(=O)[N-]O1	REAL300030775235	0	46	-2.0	-99.01	371.39	2.65	-96.36
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C(F)C=C1[O-])C1=CC(=O)[N-]O1	REAL300030775236	0	46	-2.0	-102.27	361.65	3.72	-98.55
CC1=CC(=O)C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)=N[N-]1	REAL300030775345	0	47	-2.0	-92.12	369.79	3.17	-88.95
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300030775363	0	46	-2.0	-112.99	371.09	2.89	-110.10
N#CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030775383	0	46	-2.0	-91.06	380.47	0.77	-90.29
CN1N=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)[N-]C1=O	REAL300030775413	0	45	-2.0	-93.67	358.59	-0.43	-94.10
N#CC1=CC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300030775448	0	47	-2.0	-99.88	376.01	4.05	-95.83
N#CC1=CC=C([O-])C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)=C1	REAL300030775454	0	47	-2.0	-93.82	375.34	4.14	-89.68
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300030775552	1	46	-2.0	-99.47	363.55	2.28	-97.19
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300030775610	0	44	-2.0	-82.50	354.70	-2.27	-84.77
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030775610	1	44	-2.0	-82.50	354.70	-2.27	-84.77
NC1=NC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)N1	REAL300030775650	0	46	-2.0	-89.82	356.14	-0.55	-90.37
NC1=NC=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C(=O)[N-]1	REAL300030775650	1	46	-2.0	-89.82	356.14	-0.55	-90.37
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300030775747	0	42	-2.0	-89.97	335.86	-0.47	-90.44
CC1SC(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)=NC1=O	REAL300030775764	0	45	-2.0	-91.15	368.01	0.05	-91.10
CC1=C([O-])N=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)S1	REAL300030775764	1	45	-2.0	-91.15	368.01	0.05	-91.10
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)C1=CC=C(O)C=C1)C1=CC(=O)[N-]O1	REAL300030775843	0	48	-2.0	-88.29	378.96	2.55	-85.74
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)C1=CC=C([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030775843	1	48	-2.0	-88.29	378.96	2.55	-85.74
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030775881	0	46	-2.0	-85.20	361.65	-2.15	-87.35
CCN1[N-]C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030775926	0	49	-2.0	-90.53	385.45	2.02	-88.51
CN1[N-]C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)=CC1=O	REAL300030775942	0	46	-2.0	-89.62	363.87	1.09	-88.53
O=C(CC1=CC(=O)N[N-]1)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CC(=O)[N-]O1)C2	REAL300030776032	1	46	-2.0	-97.09	365.40	-0.19	-97.28
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300030776036	1	46	-2.0	-93.35	362.01	2.28	-91.07
CC1=CN=C(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2=CC(=O)[N-]O2)C3)C([O-])=C1	REAL300030776105	1	48	-2.0	-104.13	374.72	3.70	-100.43
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300030776118	0	43	-2.0	-97.85	348.55	1.14	-96.71
O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300030776131	0	46	-2.0	-101.96	371.92	3.12	-98.84
CC1(C)C(CNC(=O)C2=NNC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030777466	0	43	-2.0	-91.95	361.29	-3.70	-95.65
CC1(C)C(CNC(=O)CN2C(=O)[N-]NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030777562	0	45	-2.0	-94.06	375.35	-2.05	-96.11
CC1(C)C(CNC(=O)C2=CN([O-])C(=O)C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778215	0	45	-2.0	-105.34	372.36	2.42	-102.92
CC1(C)C(CNC(=O)C2=CC(=O)NC([O-])=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778337	0	45	-2.0	-86.50	372.78	-2.48	-88.98
CC1(C)C(CNC(=O)C2=COC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778348	1	41	-2.0	-86.25	344.90	-2.64	-88.89
CCN1[N-]C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)=CC1=O	REAL300030778526	0	48	-2.0	-89.77	394.24	1.01	-88.76
CC1(C)C(CNC(=O)CC2=CC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778534	1	45	-2.0	-97.27	370.39	-1.01	-98.28
CC1(C)C(CNC(=O)C2=CC=CC(=S)N2[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778553	0	45	-2.0	-123.87	380.98	4.47	-119.40
CC1(C)C(CNC(=O)CC2SC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778563	0	45	-2.0	-87.45	383.51	-2.49	-89.94
CN1N=C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)[N-]C1=O	REAL300030778579	0	44	-2.0	-92.93	366.95	-1.42	-94.35
CC1(C)C(CNC(=O)C2=C[N-]N=CC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778671	0	43	-2.0	-78.30	353.95	0.52	-77.78
CC1(C)C(CNC(=O)C2=CC(=O)N[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778781	0	42	-2.0	-86.41	349.70	-1.64	-88.05
CC1(C)C(CNC(=O)C(=O)[PH](C)(C)[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778786	0	47	-2.0	-85.35	384.04	-0.18	-85.53
CC1(C)C(CNC(=O)CCC2=NC(=O)NN2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778815	0	47	-2.0	-98.40	385.60	-1.97	-100.37
CC1(C)C(CNC(=O)CCC2=NC(=O)[N-]N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778815	1	47	-2.0	-98.40	385.60	-1.97	-100.37
CC1(C)C(CNC(=O)C2=CC=CN([O-])C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778820	0	45	-2.0	-96.48	369.95	2.59	-93.89
CC1=C([O-])N=C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)S1	REAL300030778851	1	44	-2.0	-92.68	376.26	-1.52	-94.20
CC1(C)C(CNC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778865	1	44	-2.0	-83.34	379.87	1.65	-81.69
CC1(C)C(CNC(=O)C2=CC(=O)N([O-])C=C2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778884	0	45	-2.0	-105.77	372.73	2.41	-103.36
CC1(C)C(CNC(=O)C2=CC=CC(=O)N2[O-])CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030778923	0	45	-2.0	-119.80	369.86	3.43	-116.37
CC1(C)C(CNC(=O)C[N-]C(=O)C(F)(F)F)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779053	0	44	-2.0	-86.60	379.85	-1.75	-88.35
CC1(C)C(CNC(=O)CC2=C([O-])N=C(N)S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779054	0	46	-2.0	-107.24	391.05	-2.59	-109.83
CC1(C)C(CNC(=O)CC2=NC([O-])=CS2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779102	0	44	-2.0	-107.74	376.24	-1.72	-109.46
CCC1=NC=C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)C(=O)[N-]1	REAL300030779120	1	49	-2.0	-83.97	394.85	0.86	-83.11
CC1(C)C(CNC(=O)CN2N=CC(=O)[N-]C2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779129	0	46	-2.0	-97.85	385.74	-3.16	-101.01
CC1=CC(=O)C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)=N[N-]1	REAL300030779350	0	46	-2.0	-89.96	378.44	2.17	-87.79
CC1(C)C(CNC(=O)C2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779366	0	41	-2.0	-90.22	344.19	-3.09	-93.31
CC1(C)C(CNC(=O)C2=CN=C(C=N[O-])S2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779488	0	44	-2.0	-100.23	385.10	-0.06	-100.29
COC1=NC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)=CC(=O)[N-]1	REAL300030779503	0	47	-2.0	-91.24	390.42	-3.62	-94.86
CN1[N-]C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C2(C)C)=CC1=O	REAL300030779667	0	45	-2.0	-89.03	372.51	0.07	-88.96
CC1(C)C(CNC(=O)CSC2=NNC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779674	0	45	-2.0	-92.75	386.66	-1.81	-94.56
CC1(C)C(CNC(=O)C2=NC(=O)[N-]C(=O)N2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779841	0	43	-2.0	-89.75	362.82	-4.69	-94.44
CC1(C)C(CNC(=O)C2=NC(=O)NC(=O)[N-]2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030779841	1	43	-2.0	-83.59	363.47	-3.94	-87.53
CC1(C)C(CNC(=O)CN2[N-]C(=O)C=CC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030780000	0	47	-2.0	-95.34	391.51	-1.06	-96.40
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC=CC=C1[O-]	REAL300030780253	1	44	-2.0	-100.17	361.37	2.30	-97.87
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300030780373	0	43	-2.0	-92.05	360.94	-3.49	-95.54
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300030780529	0	45	-2.0	-93.38	378.53	-2.00	-95.38
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300030781769	1	45	-2.0	-97.94	380.20	3.50	-94.44
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300030781793	1	46	-2.0	-90.44	387.06	1.96	-88.48
CCC1=NC=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C(=O)[N-]1	REAL300030781867	1	49	-2.0	-87.48	388.51	-0.11	-87.59
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=COC(=O)[N-]1	REAL300030781883	1	41	-2.0	-87.23	344.61	-1.43	-88.66
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300030781953	0	44	-2.0	-86.72	382.78	-1.66	-88.38
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300030781954	0	46	-2.0	-107.15	394.19	-2.53	-109.68
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C=C1F	REAL300030781975	1	45	-2.0	-91.14	372.06	1.66	-89.48
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300030781981	0	44	-2.0	-87.37	369.69	1.11	-86.26
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300030781988	1	46	-2.0	-87.22	386.34	2.01	-85.21
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300030781991	0	44	-2.0	-94.21	374.74	1.69	-92.52
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300030782005	0	46	-2.0	-98.00	388.87	-3.12	-101.12
CC1=CC=C([O-])C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)=N1	REAL300030782064	1	47	-2.0	-100.98	382.92	2.87	-98.11
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CCC1=NNC(=O)[N-]1	REAL300030782065	0	47	-2.0	-89.79	388.88	-1.36	-91.15
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=C[N-]N=CC1=O	REAL300030782083	0	43	-2.0	-81.34	345.87	-0.08	-81.42
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300030782091	0	45	-2.0	-106.40	369.71	3.05	-103.35
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC([O-])=C1F	REAL300030782179	1	45	-2.0	-103.37	370.01	1.63	-101.74
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N[N-]1	REAL300030782271	0	42	-2.0	-87.31	349.42	-1.30	-88.61
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300030782276	0	47	-2.0	-86.05	384.14	-0.07	-86.12
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300030782360	0	45	-2.0	-99.32	380.53	2.44	-96.88
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NNC(=O)[N-]1	REAL300030782386	0	41	-2.0	-90.94	344.16	-2.80	-93.74
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CN([O-])C1=O	REAL300030782391	0	45	-2.0	-100.99	363.26	1.76	-99.23
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC=C1O	REAL300030782538	0	45	-2.0	-97.28	369.90	3.05	-94.23
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300030782538	1	45	-2.0	-97.28	369.90	3.05	-94.23
CC1=CC=NC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)=C1O	REAL300030782598	0	47	-2.0	-99.96	381.69	2.99	-96.97
CC1=CC=NC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)=C1[O-]	REAL300030782598	1	47	-2.0	-99.96	381.69	2.99	-96.97
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=CC(O)=C1	REAL300030782706	0	44	-2.0	-87.53	361.11	-0.22	-87.75
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=CC([O-])=C1	REAL300030782706	1	44	-2.0	-87.53	361.11	-0.22	-87.75
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300030782716	0	45	-2.0	-117.90	390.71	2.83	-115.07
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300030782822	0	44	-2.0	-83.76	379.66	1.22	-82.54
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300030782865	1	45	-2.0	-89.66	381.47	2.11	-87.55
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300030782866	0	48	-2.0	-95.88	399.98	0.99	-94.89
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=NC([O-])=CS1	REAL300030782873	0	44	-2.0	-106.54	379.37	-1.66	-108.20
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300030782887	0	47	-2.0	-94.11	394.64	-1.01	-95.12
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300030782888	0	45	-2.0	-100.24	371.81	2.88	-97.36
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300030782975	0	45	-2.0	-86.00	386.86	-2.36	-88.36
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300030782995	0	45	-2.0	-93.26	376.38	1.72	-91.54
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300030783002	0	45	-2.0	-100.92	379.51	3.52	-97.40
CC1=CC(=O)C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)=N[N-]1	REAL300030783026	0	46	-2.0	-91.54	378.11	2.38	-89.16
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300030783046	0	45	-2.0	-114.59	379.60	2.19	-112.40
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300030783068	0	45	-2.0	-83.09	373.00	-0.61	-83.70
CN1N=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)[N-]C1=O	REAL300030783115	0	44	-2.0	-93.83	366.92	-1.14	-94.97
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300030783165	0	46	-2.0	-94.19	384.40	3.40	-90.79
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300030783250	0	45	-2.0	-88.63	368.50	-0.54	-89.17
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C(O)=C1	REAL300030783298	0	45	-2.0	-99.62	372.41	1.62	-98.00
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300030783298	1	45	-2.0	-99.62	372.41	1.62	-98.00
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C=C1O	REAL300030783314	0	45	-2.0	-100.04	382.12	3.33	-96.71
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300030783314	1	45	-2.0	-100.04	382.12	3.33	-96.71
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300030783374	0	43	-2.0	-88.86	362.45	-3.73	-92.59
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300030783374	1	43	-2.0	-83.65	363.28	-3.03	-86.68
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300030783423	1	45	-2.0	-89.88	368.33	-1.36	-91.24
CC1=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)[N-]C(=O)C(C#N)=C1	REAL300030783444	0	48	-2.0	-83.72	399.14	1.94	-81.78
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(F)C([O-])=C1F	REAL300030783456	0	45	-2.0	-102.70	376.29	1.70	-101.00
COC1=NC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)=CC(=O)[N-]1	REAL300030783501	0	47	-2.0	-91.35	387.46	-2.78	-94.13
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300030783507	0	44	-2.0	-96.16	377.56	2.81	-93.35
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300030783538	0	45	-2.0	-95.59	382.21	2.12	-93.47
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC=C1[O-]	REAL300030783546	0	44	-2.0	-99.96	361.34	0.85	-99.11
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030783551	0	41	-2.0	-91.04	344.46	-1.16	-92.20
CC1=C([O-])N=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)S1	REAL300030783571	1	44	-2.0	-93.41	376.14	-0.64	-94.05
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300030783658	1	47	-2.0	-88.37	387.36	1.83	-86.54
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300030783678	0	44	-2.0	-99.55	383.43	-0.31	-99.86
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300030783698	1	44	-2.0	-83.75	379.34	2.22	-81.53
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300030783720	0	45	-2.0	-85.79	380.62	-2.47	-88.26
CCN1[N-]C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)=CC1=O	REAL300030783777	0	48	-2.0	-90.66	394.01	1.33	-89.33
CN1[N-]C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)=CC1=O	REAL300030783793	0	45	-2.0	-89.97	372.28	0.40	-89.57
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300030783802	0	45	-2.0	-90.07	389.63	-1.67	-91.74
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)CC1=CC(=O)N[N-]1	REAL300030783913	1	45	-2.0	-95.55	373.52	-0.94	-96.49
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300030783918	1	45	-2.0	-92.71	372.37	1.66	-91.05
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300030783956	0	45	-2.0	-91.54	377.63	1.71	-89.83
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300030783960	0	44	-2.0	-98.51	374.05	1.70	-96.81
CC1=C(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C(=O)N(C)[N-]1	REAL300030783974	0	51	-2.0	-96.66	416.34	1.47	-95.19
CC1=CN=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C2(C)C)C([O-])=C1	REAL300030784010	1	47	-2.0	-101.66	382.81	2.92	-98.74
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CC([O-])=CS1	REAL300030784031	0	42	-2.0	-97.94	357.21	0.54	-97.40
CC1(C)C(CNC(=O)C2=CC(=O)[N-]O2)CCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300030784044	0	45	-2.0	-98.69	380.32	2.44	-96.25
CC1(C)C(CNC(=O)C2=CN([O-])C(=O)NC2=O)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030784071	0	45	-2.0	-86.92	375.20	0.07	-86.85
O=C(NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=COC(=O)[N-]1	REAL300030784432	1	46	-2.0	-92.21	369.95	-2.32	-94.53
O=C(NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC(=O)N[N-]1	REAL300030784504	0	47	-2.0	-91.04	374.79	-1.35	-92.39
O=C(NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=NC(=O)N[N-]1	REAL300030784563	0	46	-2.0	-91.85	369.40	-2.64	-94.49
O=C(NC1CCCOC12CCN(C(=O)C1=COC(=O)[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300030784981	1	46	-2.0	-84.32	369.48	-0.87	-85.19
O=C(NC1CCCOC12CCN(C(=O)C1=CC(=O)N[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300030785038	0	47	-2.0	-89.37	374.60	-0.92	-90.29
O=C(NC1CCCOC12CCN(C(=O)C1=NC(=O)N[N-]1)CC2)C1=CC(=O)[N-]O1	REAL300030785051	0	46	-2.0	-84.50	369.11	-1.57	-86.07
O=C(NC1CCCOC12CCN(C(=O)C1=CC(=O)[N-]O1)CC2)C1=CC(=O)[N-]O1	REAL300030785204	0	46	-2.0	-94.48	369.52	-0.87	-95.35
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=C(C2CC2)[N-]C1=O	REAL300030785728	1	48	-2.0	-88.50	398.70	1.57	-86.93
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NNC(=O)[N-]C1=O	REAL300030786695	0	41	-2.0	-93.96	354.39	-3.60	-97.56
O=C(CN1C(=O)[N-]NC1=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030786797	0	43	-2.0	-96.20	368.51	-1.94	-98.14
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN([O-])C(=O)C=C1	REAL300030787504	0	43	-2.0	-106.22	365.47	2.53	-103.69
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)NC([O-])=C1	REAL300030787635	0	43	-2.0	-87.49	365.93	-2.37	-89.86
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=COC(=O)[N-]1	REAL300030787646	1	39	-2.0	-87.59	338.01	-2.53	-90.12
O=C([N-]CC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C(F)(F)C(F)(F)F	REAL300030787749	1	38	-2.0	-83.51	344.11	0.80	-82.71
CCN1[N-]C(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030787839	0	46	-2.0	-92.07	387.38	1.11	-90.96
O=C(CC1=CC(=O)N[N-]1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787847	1	43	-2.0	-99.66	363.50	-0.90	-100.56
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC(=S)N1[O-]	REAL300030787867	0	43	-2.0	-126.51	374.03	4.57	-121.94
O=C(CC1SC(=O)[N-]C1=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030787878	0	43	-2.0	-90.10	376.61	-2.38	-92.48
CN1N=C(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300030787895	0	42	-2.0	-95.20	360.07	-1.32	-96.52
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=C[N-]N=CC1=O	REAL300030787992	0	41	-2.0	-80.84	347.06	0.62	-80.22
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=C2N=NN([O-])C2=C1	REAL300030788028	0	45	-2.0	-104.06	382.03	1.04	-103.02
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N[N-]1	REAL300030788113	0	40	-2.0	-88.39	342.83	-1.54	-89.93
C[PH](C)([O-])C(=O)C(=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788118	0	45	-2.0	-88.50	381.29	-0.22	-88.72
O=C(CCC1=NC(=O)NN1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788150	0	45	-2.0	-98.29	378.76	-1.86	-100.15
O=C(CCC1=NC(=O)[N-]N1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788150	1	45	-2.0	-98.29	378.76	-1.86	-100.15
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CN([O-])C1=O	REAL300030788155	0	43	-2.0	-97.68	362.91	2.66	-95.02
CC1SC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=NC1=O	REAL300030788190	0	42	-2.0	-93.65	369.36	-1.41	-95.06
CC1=C([O-])N=C(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030788190	1	42	-2.0	-93.65	369.36	-1.41	-95.06
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)C=C(Cl)N1	REAL300030788204	0	42	-2.0	-85.40	372.99	1.76	-83.64
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)C=C(Cl)[N-]1	REAL300030788204	1	42	-2.0	-85.40	372.99	1.76	-83.64
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)N([O-])C=C1	REAL300030788224	0	43	-2.0	-106.29	365.85	2.53	-103.76
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC=CC(=O)N1[O-]	REAL300030788267	0	43	-2.0	-122.95	362.91	3.53	-119.42
NC1=NC([O-])=C(CC(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030788406	0	44	-2.0	-110.78	384.16	-2.48	-113.26
O=C(CC1=NC([O-])=CS1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030788458	0	42	-2.0	-111.73	369.35	-1.61	-113.34
CCC1=NC=C(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N1	REAL300030788479	0	47	-2.0	-87.14	387.62	0.98	-86.16
CCC1=NC=C(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300030788479	1	47	-2.0	-87.14	387.62	0.98	-86.16
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=C(Cl)C(=O)[N-]S1	REAL300030788555	0	39	-2.0	-89.43	360.40	-0.23	-89.66
CC1=CC(=O)C(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300030788730	0	44	-2.0	-93.05	371.55	2.27	-90.78
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)N[N-]1	REAL300030788746	0	39	-2.0	-87.82	337.43	-2.83	-90.65
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN=C(C=N[O-])S1	REAL300030788880	0	42	-2.0	-100.29	378.21	0.05	-100.24
COC1=NC(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC(=O)[N-]1	REAL300030788896	0	45	-2.0	-93.16	383.55	-3.53	-96.69
CN1[N-]C(C(=O)NCC=C2CCN(C(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030789075	0	43	-2.0	-91.24	365.65	0.16	-91.08
O=C(CSC1=NNC(=O)[N-]1)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030789083	0	43	-2.0	-93.25	379.81	-1.71	-94.96
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)[N-]C(=O)N1	REAL300030789258	0	41	-2.0	-90.01	355.96	-4.60	-94.61
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=NC(=O)NC(=O)[N-]1	REAL300030789258	1	41	-2.0	-85.03	356.60	-3.84	-88.87
O=C(CN1[N-]C(=O)C=CC1=O)NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1	REAL300030789427	0	45	-2.0	-96.94	384.62	-0.95	-97.89
O=C(NCC=C1CCN(C(=O)C2=NC=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030789681	1	42	-2.0	-99.49	355.22	2.58	-96.91
O=C(NCC=C1CCN(C(=O)C2=NNC(=O)[N-]C2=O)CC1)C1=CC(=O)[N-]O1	REAL300030789816	0	41	-2.0	-91.83	354.71	-3.24	-95.07
O=C(CN1C(=O)[N-]NC1=O)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030790009	0	43	-2.0	-93.47	371.35	-1.77	-95.24
O=C(NCC=C1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)CC1)C1=CC(=O)[N-]O1	REAL300030790973	1	48	-2.0	-99.41	408.00	1.43	-97.98
O=C(NCC=C1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030791661	1	43	-2.0	-95.48	383.83	2.62	-92.86
N#CC1=CC([O-])=CC(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030791688	1	44	-2.0	-86.32	386.83	2.37	-83.95
CCC1=NC=C(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300030791787	1	47	-2.0	-92.07	397.41	0.78	-91.29
O=C(NCC=C1CCN(C(=O)C2=COC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030791807	1	39	-2.0	-87.46	337.80	-1.01	-88.47
O=C(C[N-]C(=O)C(F)(F)F)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030791884	0	42	-2.0	-87.00	375.81	-1.48	-88.48
NC1=NC([O-])=C(CC(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030791885	0	44	-2.0	-107.40	387.03	-2.25	-109.65
O=C(NCC=C1CCN(C(=O)C2=C(F)C=C([O-])C=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030791895	0	43	-2.0	-87.03	379.48	2.15	-84.88
O=C(NCC=C1CCN(C(=O)C2=CC=C([O-])C=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030791911	1	43	-2.0	-91.84	369.81	2.00	-89.84
O=C(NCC=C1CCN(C(=O)C2=CC([O-])=CC(=O)O2)CC1)C1=CC(=O)[N-]O1	REAL300030791917	0	42	-2.0	-86.61	362.73	1.00	-85.61
N#CC1=CC=C(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)C=C1[O-]	REAL300030791926	1	44	-2.0	-95.75	380.81	2.25	-93.50
O=C(NCC=C1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030791930	0	42	-2.0	-94.52	371.04	1.68	-92.84
N#CC1=CC(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)=C(N)[N-]C1=O	REAL300030791936	0	45	-2.0	-89.65	394.25	-0.99	-90.64
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030791953	0	44	-2.0	-97.86	381.72	-2.87	-100.73
CC1=CC=C([O-])C(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)=N1	REAL300030792024	1	45	-2.0	-100.12	376.83	3.15	-96.97
O=C(CCC1=NNC(=O)[N-]1)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030792026	0	45	-2.0	-90.50	381.71	-1.11	-91.61
O=C(NCC=C1CCN(C(=O)C2=C[N-]N=CC2=O)CC1)C1=CC(=O)[N-]O1	REAL300030792045	0	41	-2.0	-88.85	356.10	0.45	-88.40
O=C(NCC=C1CCN(C(=O)C2=CC=CC(F)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030792056	0	43	-2.0	-105.79	363.00	3.19	-102.60
O=C(NCC=C1CCN(C(=O)C2=CC=CC([O-])=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030792160	1	43	-2.0	-101.70	363.30	1.84	-99.86
O=C(NCC=C1CCN(C(=O)C2=CC(=O)N[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030792285	0	40	-2.0	-87.08	342.67	-1.07	-88.15
C[PH](C)([O-])C(=O)C(=O)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030792291	0	45	-2.0	-85.89	375.61	-0.22	-86.11
O=C(NCC=C1CCN(C(=O)C2=CC(=O)N([O-])C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030792399	0	43	-2.0	-103.40	372.88	2.58	-100.82
O=C(NCC=C1CCN(C(=O)C2=NNC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030792428	0	39	-2.0	-91.05	336.98	-2.55	-93.60
O=C(NCC=C1CCN(C(=O)C2=C(O)C=CC=C2Cl)CC1)C1=CC(=O)[N-]O1	REAL300030792432	0	43	-2.0	-97.27	382.42	2.53	-94.74
O=C(NCC=C1CCN(C(=O)C2=C([O-])C=CC=C2Cl)CC1)C1=CC(=O)[N-]O1	REAL300030792432	1	43	-2.0	-97.27	382.42	2.53	-94.74
O=C(NCC=C1CCN(C(=O)C2=CC=CN([O-])C2=O)CC1)C1=CC(=O)[N-]O1	REAL300030792437	0	43	-2.0	-105.52	372.63	2.57	-102.95
O=C(NCC=C1CCN(C(=O)C2=C(F)C=CC(O)=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030792467	0	43	-2.0	-91.93	379.30	2.11	-89.82
O=C(NCC=C1CCN(C(=O)C2=C(F)C=CC([O-])=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030792467	1	43	-2.0	-91.93	379.30	2.11	-89.82
O=C(NCC=C1CCN(C(=O)C2=CC(F)=CC=C2O)CC1)C1=CC(=O)[N-]O1	REAL300030792629	0	43	-2.0	-95.18	373.51	2.16	-93.02
O=C(NCC=C1CCN(C(=O)C2=CC(F)=CC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030792629	1	43	-2.0	-95.18	373.51	2.16	-93.02
CC1=CC=NC(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)=C1O	REAL300030792696	0	45	-2.0	-100.37	374.73	3.25	-97.12
CC1=CC=NC(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)=C1[O-]	REAL300030792696	1	45	-2.0	-100.37	374.73	3.25	-97.12
O=C(NCC=C1CCN(C(=O)C2=CN=CC(O)=C2)CC1)C1=CC(=O)[N-]O1	REAL300030792827	0	42	-2.0	-92.60	362.28	0.26	-92.34
O=C(NCC=C1CCN(C(=O)C2=CN=CC([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300030792827	1	42	-2.0	-92.60	362.28	0.26	-92.34
O=C(NCC=C1CCN(C(=O)C2=CC=CC(=S)N2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030792837	0	43	-2.0	-101.42	373.21	3.15	-98.27
O=C(NCC=C1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)CC1)C1=CC(=O)[N-]O1	REAL300030792965	0	42	-2.0	-81.30	372.70	1.40	-79.90
O=C(NCC=C1CCN(C(=O)C2=CC=C([O-])C=C2Cl)CC1)C1=CC(=O)[N-]O1	REAL300030793011	1	43	-2.0	-90.59	378.44	2.43	-88.16
N#CC1=CC(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)=C([O-])C=C1N	REAL300030793013	0	46	-2.0	-95.29	398.58	0.34	-94.95
O=C(CC1=NC([O-])=CS1)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030793023	0	42	-2.0	-106.29	372.20	-1.39	-107.68
O=C(NCC=C1CCN(C(=O)C2=C([O-])C=CC=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030793038	0	43	-2.0	-98.11	372.93	2.14	-95.97
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030793040	0	45	-2.0	-93.59	387.48	-0.78	-94.37
O=C(NCC=C1CCN(C(=O)C2=CC=C(F)C=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030793042	0	43	-2.0	-99.74	369.56	2.48	-97.26
CC1=CC=C(F)C([O-])=C1C(=O)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030793082	0	46	-2.0	-98.88	391.41	2.66	-96.22
O=C(CC1SC(=O)[N-]C1=O)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030793157	0	43	-2.0	-85.44	379.75	-2.14	-87.58
O=C(NCC=C1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030793183	0	43	-2.0	-93.63	377.50	2.09	-91.54
O=C(NCC=C1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030793190	0	43	-2.0	-100.45	372.81	3.67	-96.78
CC1=CC(=O)C(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)=N[N-]1	REAL300030793221	0	44	-2.0	-90.95	371.96	2.62	-88.33
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030793225	0	48	-2.0	-102.59	403.10	2.29	-100.30
O=C(NCC=C1CCN(C(=O)C2=CC=CC(=O)N2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030793249	0	43	-2.0	-97.94	362.11	2.43	-95.51
N#CC1=CC=C(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300030793282	0	43	-2.0	-93.60	382.10	0.28	-93.32
CN1N=C(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)[N-]C1=O	REAL300030793337	0	42	-2.0	-93.71	360.09	-0.89	-94.60
[N-]=[N+]=NC1=CC(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)=CC=C1[O-]	REAL300030793363	0	45	-2.0	-88.31	395.48	-0.09	-88.40
O=C(NCC=C1CCN(C(=O)C2=C(F)C=CC(O)=C2O)CC1)C1=CC(=O)[N-]O1	REAL300030793399	0	44	-2.0	-95.94	383.68	0.20	-95.74
O=C(NCC=C1CCN(C(=O)C2=C(F)C=CC(O)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030793399	1	44	-2.0	-95.94	383.68	0.20	-95.74
N#CC1=CC=C([O-])C(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)=C1	REAL300030793409	0	44	-2.0	-92.02	387.95	2.51	-89.51
O=C(NCC=C1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)CC1)C1=CC(=O)[N-]O1	REAL300030793511	0	43	-2.0	-92.01	377.30	-0.06	-92.07
O=C(NCC=C1CCN(C(=O)C2=CC=C(F)C(O)=C2)CC1)C1=CC(=O)[N-]O1	REAL300030793570	0	43	-2.0	-97.99	373.64	2.10	-95.89
O=C(NCC=C1CCN(C(=O)C2=CC=C(F)C([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300030793570	1	43	-2.0	-97.99	373.64	2.10	-95.89
O=C(NCC=C1CCN(C(=O)C2=CC=C(Cl)C=C2O)CC1)C1=CC(=O)[N-]O1	REAL300030793590	0	43	-2.0	-99.44	379.88	2.91	-96.53
O=C(NCC=C1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030793590	1	43	-2.0	-99.44	379.88	2.91	-96.53
O=C(NCC=C1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)CC1)C1=CC(=O)[N-]O1	REAL300030793668	0	41	-2.0	-89.66	356.28	-3.50	-93.16
O=C(NCC=C1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030793668	1	41	-2.0	-83.64	356.89	-2.74	-86.38
O=C(NCC=C1CCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)CC1)C1=CC(=O)[N-]O1	REAL300030793689	0	45	-2.0	-90.45	384.65	0.94	-89.51
O=C(NCC=C1CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)CC1)C1=CC(=O)[N-]O1	REAL300030793720	0	39	-2.0	-89.82	359.29	-0.40	-90.22
NC1=NC=C(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)[N-]1	REAL300030793738	1	43	-2.0	-92.57	370.84	-0.86	-93.43
CC1=C(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)[N-]C(=O)C(C#N)=C1	REAL300030793764	0	46	-2.0	-93.46	401.18	0.90	-92.56
O=C(NCC=C1CCN(C(=O)C2=CC=C(F)C([O-])=C2F)CC1)C1=CC(=O)[N-]O1	REAL300030793781	0	43	-2.0	-102.14	377.55	2.09	-100.05
COC1=NC(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)=CC(=O)[N-]1	REAL300030793832	0	45	-2.0	-89.77	380.55	-2.53	-92.30
O=C(NCC=C1CCN(C(=O)C2=CC=C3N[N-]N=C3C2=O)CC1)C1=CC(=O)[N-]O1	REAL300030793833	0	45	-2.0	-86.24	379.59	0.52	-85.72
O=C(NCC=C1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030793843	0	42	-2.0	-95.57	371.42	3.08	-92.49
O=C(NCC=C1CCN(C(=O)C2=CC=C(Cl)C([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300030793883	0	43	-2.0	-93.93	383.45	2.59	-91.34
O=C(NCC=C1CCN(C(=O)C2=CC=NC=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030793893	0	42	-2.0	-99.50	360.01	0.28	-99.22
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CC(=O)[N-]O1	REAL300030793899	0	39	-2.0	-92.19	337.58	-1.06	-93.25
CC1=C([O-])N=C(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)S1	REAL300030793925	1	42	-2.0	-94.19	369.44	-0.27	-94.46
O=C(NCC=C1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030794024	1	45	-2.0	-88.84	388.95	1.93	-86.91
O=C(NCC=C1CCN(C(=O)C2=CN=C(C=N[O-])S2)CC1)C1=CC(=O)[N-]O1	REAL300030794050	0	42	-2.0	-100.41	377.94	-0.09	-100.50
O=C(NCC=C1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CC1)C1=CC(=O)[N-]O1	REAL300030794075	1	42	-2.0	-83.28	373.26	2.42	-80.86
O=C(NCC=C1CCN(C(=O)C2=CC(=O)NC([O-])=C2)CC1)C1=CC(=O)[N-]O1	REAL300030794100	0	43	-2.0	-87.19	373.17	-2.31	-89.50
CCN1[N-]C(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030794164	0	46	-2.0	-90.09	387.19	1.57	-88.52
CN1[N-]C(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)=CC1=O	REAL300030794186	0	43	-2.0	-89.60	365.48	0.64	-88.96
O=C(CSC1=NNC(=O)[N-]1)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030794198	0	43	-2.0	-90.92	382.67	-1.44	-92.36
O=C(CC1=CC(=O)N[N-]1)N1CCC(=CCNC(=O)C2=CC(=O)[N-]O2)CC1	REAL300030794346	1	43	-2.0	-95.19	366.36	-0.68	-95.87
O=C(NCC=C1CCN(C(=O)C2=CC=C([O-])C(F)=C2)CC1)C1=CC(=O)[N-]O1	REAL300030794351	1	43	-2.0	-93.47	373.65	2.12	-91.35
O=C(NCC=C1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CC1)C1=CC(=O)[N-]O1	REAL300030794405	0	43	-2.0	-92.87	379.48	2.19	-90.68
O=C(NCC=C1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])CC1)C1=CC(=O)[N-]O1	REAL300030794411	0	42	-2.0	-97.87	374.49	0.88	-96.99
CC1=C(CC(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)C(=O)N(C)[N-]1	REAL300030794426	0	49	-2.0	-95.84	409.22	1.71	-94.13
CC1=CN=C(C(=O)N2CCC(=CCNC(=O)C3=CC(=O)[N-]O3)CC2)C([O-])=C1	REAL300030794464	1	45	-2.0	-101.83	375.85	3.19	-98.64
O=C(NCC=C1CCN(C(=O)C2=CC([O-])=CS2)CC1)C1=CC(=O)[N-]O1	REAL300030794489	0	40	-2.0	-98.36	351.22	0.70	-97.66
O=C(NCC=C1CCN(C(=O)C2=CN([O-])C(=O)C=C2)CC1)C1=CC(=O)[N-]O1	REAL300030794505	0	43	-2.0	-99.83	372.84	2.56	-97.27
O=C(NCC=C1CCN(C(=O)C2=CC(=O)[N-]O2)CC1)C1=CN([O-])C(=O)NC1=O	REAL300030794540	0	43	-2.0	-88.51	368.38	0.17	-88.34
O=C(NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1)C1=COC(=O)[N-]1	REAL300030794969	1	48	-2.0	-89.42	382.39	-0.92	-90.34
O=C(NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1)C1=CC(=O)N[N-]1	REAL300030795060	0	49	-2.0	-89.55	387.22	0.07	-89.48
O=C(NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1)C1=NC(=O)N[N-]1	REAL300030795142	0	48	-2.0	-89.53	381.81	-1.23	-90.76
O=C(NCC1CCC2CN(C(=O)C3=COC(=O)[N-]3)CCC2C1)C1=CC(=O)[N-]O1	REAL300030795616	1	48	-2.0	-87.99	389.17	0.83	-87.16
O=C(NCC1CCC2CN(C(=O)C3=CC(=O)N[N-]3)CCC2C1)C1=CC(=O)[N-]O1	REAL300030795680	0	49	-2.0	-87.51	387.01	0.50	-87.01
O=C(NCC1CCC2CN(C(=O)C3=NNC(=O)[N-]3)CCC2C1)C1=CC(=O)[N-]O1	REAL300030795694	0	48	-2.0	-91.79	388.72	-0.71	-92.50
O=C(NCC1CCC2CN(C(=O)C3=CC(=O)[N-]O3)CCC2C1)C1=CC(=O)[N-]O1	REAL300030795869	0	48	-2.0	-92.82	388.97	0.84	-91.98
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300030797195	0	41	-2.0	-102.68	350.69	-3.94	-106.62
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CN1C(=O)[N-]NC1=O	REAL300030797281	0	43	-2.0	-105.52	367.40	-2.52	-108.04
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300030797895	0	43	-2.0	-102.90	369.13	1.84	-101.06
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300030798011	0	43	-2.0	-87.55	369.47	-3.07	-90.62
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=COC(=O)[N-]1	REAL300030798022	1	39	-2.0	-87.77	333.75	-1.79	-89.56
CCN1[N-]C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)=CC1=O	REAL300030798194	0	46	-2.0	-92.67	383.16	0.81	-91.86
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1=CC(=O)N[N-]1	REAL300030798202	1	43	-2.0	-107.28	362.39	-1.45	-108.73
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=CC=CC(=S)N1[O-]	REAL300030798220	0	43	-2.0	-107.66	376.41	2.39	-105.27
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1SC(=O)[N-]C1=O	REAL300030798229	0	43	-2.0	-95.49	375.51	-2.93	-98.42
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300030798245	0	42	-2.0	-98.14	357.63	-1.79	-99.93
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=C[N-]N=CC1=O	REAL300030798335	0	41	-2.0	-94.52	353.66	-0.42	-94.94
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=CC(=O)N[N-]1	REAL300030798441	0	40	-2.0	-89.08	338.61	-1.83	-90.91
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300030798446	0	45	-2.0	-91.68	373.44	-0.72	-92.40
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CCC1=NC(=O)NN1	REAL300030798474	0	45	-2.0	-100.23	377.65	-2.41	-102.64
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CCC1=NC(=O)[N-]N1	REAL300030798474	1	45	-2.0	-100.23	377.65	-2.41	-102.64
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=CC=CN([O-])C1=O	REAL300030798478	0	43	-2.0	-116.83	370.00	1.74	-115.09
CC1SC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)=NC1=O	REAL300030798506	0	42	-2.0	-93.17	365.47	-0.93	-94.10
CC1=C([O-])N=C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)S1	REAL300030798506	1	42	-2.0	-93.17	365.47	-0.93	-94.10
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=CC(=O)C=C(Cl)N1	REAL300030798520	0	42	-2.0	-91.63	369.08	1.78	-89.85
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300030798520	1	42	-2.0	-91.63	369.08	1.78	-89.85
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300030798537	0	43	-2.0	-103.41	368.79	1.74	-101.67
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300030798572	0	43	-2.0	-106.04	365.31	1.74	-104.30
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1=C([O-])N=C(N)S1	REAL300030798699	0	44	-2.0	-109.48	383.01	-2.66	-112.14
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CC1=NC([O-])=CS1	REAL300030798747	0	42	-2.0	-114.00	367.93	-2.12	-116.12
CCC1=NC=C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C(=O)N1	REAL300030798765	0	47	-2.0	-88.09	386.52	-0.26	-88.35
CCC1=NC=C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)C(=O)[N-]1	REAL300030798765	1	47	-2.0	-88.09	386.52	-0.26	-88.35
CC1=CC(=O)C(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)=N[N-]1	REAL300030798985	0	44	-2.0	-101.87	368.28	1.94	-99.93
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=NNC(=O)[N-]1	REAL300030799000	0	39	-2.0	-95.01	334.87	-3.45	-98.46
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=CN=C(C=N[O-])S1	REAL300030799115	0	42	-2.0	-106.52	373.08	-1.16	-107.68
COC1=NC(C(=O)N(C)CC2CN(C(=O)C3=CC(=O)[N-]O3)CCO2)=CC(=O)[N-]1	REAL300030799129	0	45	-2.0	-95.50	379.24	-3.33	-98.83
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300030799285	0	43	-2.0	-93.21	361.61	-0.14	-93.35
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CSC1=NNC(=O)[N-]1	REAL300030799292	0	43	-2.0	-94.19	378.08	-2.29	-96.48
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300030799452	0	41	-2.0	-91.28	353.14	-4.35	-95.63
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300030799452	1	41	-2.0	-90.26	353.22	-3.45	-93.71
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300030799597	0	45	-2.0	-98.91	383.20	-1.50	-100.41
CN(CC1CN(C(=O)C2=NC=CC=C2[O-])CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030799850	1	42	-2.0	-107.47	352.68	1.82	-105.65
CN(CC1CN(C(=O)C2=NNC(=O)[N-]C2=O)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030799976	0	41	-2.0	-93.14	350.93	-3.96	-97.10
CN(CC1CN(C(=O)CN2C(=O)[N-]NC2=O)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030800141	0	43	-2.0	-100.99	367.78	-2.51	-103.50
CN(CC1CN(C(=O)C2=CC(Cl)=CC=C2[O-])CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801535	1	43	-2.0	-97.95	372.09	2.98	-94.97
CN(CC1CN(C(=O)C2=CC([O-])=CC(C#N)=C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801560	1	44	-2.0	-86.86	377.39	1.42	-85.44
CCC1=NC=C(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030801645	1	47	-2.0	-89.29	386.45	-0.09	-89.38
CN(CC1CN(C(=O)C2=COC(=O)[N-]2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801664	1	39	-2.0	-88.67	335.19	-1.79	-90.46
CN(CC1CN(C(=O)C[N-]C(=O)C(F)(F)F)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801731	0	42	-2.0	-88.02	371.23	-1.54	-89.56
CN(CC1CN(C(=O)CC2=C([O-])N=C(N)S2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801732	0	44	-2.0	-106.23	382.43	-2.32	-108.55
CN(CC1CN(C(=O)C2=C(F)C=C([O-])C=C2F)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801742	0	43	-2.0	-87.58	374.71	2.08	-85.50
CN(CC1CN(C(=O)C2=CC=C([O-])C=C2F)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801757	1	43	-2.0	-98.13	366.18	1.21	-96.92
CN(CC1CN(C(=O)C2=CC([O-])=CC(=O)O2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801763	0	42	-2.0	-90.58	360.70	0.57	-90.01
CN(CC1CN(C(=O)C2=CC=C(C#N)C([O-])=C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801770	1	44	-2.0	-101.75	378.39	1.44	-100.31
CN(CC1CN(C(=O)C2=CC(Cl)=NC=C2[O-])CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801773	0	42	-2.0	-93.97	367.40	1.04	-92.93
CN(CC1CN(C(=O)CN2N=CC(=O)[N-]C2=O)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801791	0	44	-2.0	-106.37	379.07	-3.71	-110.08
CC1=CC=C([O-])C(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=N1	REAL300030801853	1	45	-2.0	-107.93	372.61	2.39	-105.54
CN(CC1CN(C(=O)CCC2=NC(=O)[N-]N2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801855	1	45	-2.0	-99.91	378.03	-2.37	-102.28
CN(CC1CN(C(=O)C2=C[N-]N=CC2=O)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801871	0	41	-2.0	-83.71	344.98	-0.38	-84.09
CN(CC1CN(C(=O)C2=CC=CC(F)=C2[O-])CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801880	0	43	-2.0	-116.00	363.02	2.37	-113.63
CN(CC1CN(C(=O)C2=CC=CC([O-])=C2F)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030801969	1	43	-2.0	-110.76	363.32	1.05	-109.71
CN(CC1CN(C(=O)C2=CC(=O)N[N-]2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802073	0	40	-2.0	-92.43	340.04	-1.90	-94.33
CN(CC1CN(C(=O)C(=O)[PH](C)(C)[O-])CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802079	0	45	-2.0	-91.52	373.51	-0.84	-92.36
CN(CC1CN(C(=O)C2=CC(=O)N([O-])C=C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802173	0	43	-2.0	-101.14	371.14	1.79	-99.35
CN(CC1CN(C(=O)C2=NC(=O)N[N-]2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802198	0	39	-2.0	-89.27	334.89	-2.48	-91.75
CN(CC1CN(C(=O)C2=C(O)C=CC=C2Cl)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802201	0	43	-2.0	-97.57	379.72	1.69	-95.88
CN(CC1CN(C(=O)C2=C([O-])C=CC=C2Cl)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802201	1	43	-2.0	-97.57	379.72	1.69	-95.88
CN(CC1CN(C(=O)C2=CC=CN([O-])C2=O)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802205	0	43	-2.0	-101.74	362.74	1.64	-100.10
CN(CC1CN(C(=O)C2=C(F)C=CC(O)=C2F)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802234	0	43	-2.0	-93.88	374.57	2.06	-91.82
CN(CC1CN(C(=O)C2=C(F)C=CC([O-])=C2F)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802234	1	43	-2.0	-93.88	374.57	2.06	-91.82
CN(CC1CN(C(=O)C2=CC(F)=CC=C2O)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802375	0	43	-2.0	-97.35	361.77	2.55	-94.80
CN(CC1CN(C(=O)C2=CC(F)=CC=C2[O-])CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802375	1	43	-2.0	-97.35	361.77	2.55	-94.80
CC1=CC=NC(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=C1O	REAL300030802439	0	45	-2.0	-107.28	372.89	2.47	-104.81
CC1=CC=NC(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=C1[O-]	REAL300030802439	1	45	-2.0	-107.28	372.89	2.47	-104.81
CN(CC1CN(C(=O)C2=CN=CC(O)=C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802547	0	42	-2.0	-99.05	354.90	-0.83	-99.88
CN(CC1CN(C(=O)C2=CN=CC([O-])=C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802547	1	42	-2.0	-99.05	354.90	-0.83	-99.88
CN(CC1CN(C(=O)C2=CC=CC(=S)N2[O-])CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802557	0	43	-2.0	-133.71	372.01	3.39	-130.32
CN(CC1CN(C(=O)C2=CC=C([O-])C(Cl)=N2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802667	0	42	-2.0	-86.15	371.13	0.61	-85.54
CN(CC1CN(C(=O)C2=CC=C(O)C=C2Cl)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802707	0	43	-2.0	-96.61	374.82	1.63	-94.98
CN(CC1CN(C(=O)C2=CC=C([O-])C=C2Cl)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802707	1	43	-2.0	-96.61	374.82	1.63	-94.98
CN(CC1CN(C(=O)CC2=NC([O-])=CS2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802718	0	42	-2.0	-114.88	368.63	-2.13	-117.01
CN(CC1CN(C(=O)CN2[N-]C(=O)C=CC2=O)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802735	0	45	-2.0	-99.98	384.84	-1.61	-101.59
CN(CC1CN(C(=O)CC2SC(=O)[N-]C2=O)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802835	0	43	-2.0	-89.48	377.35	-2.97	-92.45
CN(CC1CN(C(=O)C2=CC=C([O-])C(F)=C2F)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802860	0	43	-2.0	-93.86	367.96	1.30	-92.56
CN(CC1CN(C(=O)C2=CC=CC(Cl)=C2[O-])CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802866	0	43	-2.0	-110.16	372.82	2.85	-107.31
CC1=CC(=O)C(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030802895	0	44	-2.0	-92.82	368.13	1.93	-90.89
CN(CC1CN(C(=O)C2=CC=CC(=O)N2[O-])CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802920	0	43	-2.0	-129.99	360.89	2.43	-127.56
CN(CC1CN(C(=O)C2=CC=C(C#N)[N-]C2=O)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802949	0	43	-2.0	-83.71	371.10	-0.60	-84.31
CN(CC1CN(C(=O)C2=NN(C)C(=O)[N-]2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030802997	0	42	-2.0	-94.91	356.17	-1.57	-96.48
CN(CC1CN(C(=O)C2=C(F)C=CC(O)=C2O)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803050	0	44	-2.0	-107.16	381.02	-0.60	-107.76
CN(CC1CN(C(=O)C2=C(F)C=CC(O)=C2[O-])CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803050	1	44	-2.0	-107.16	381.02	-0.60	-107.76
CN(CC1CN(C(=O)C2=CC(C#N)=CC=C2[O-])CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803059	0	44	-2.0	-101.99	380.87	2.36	-99.63
CN(CC1CN(C(=O)C2=CN([O-])C(=O)NC2=O)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803147	0	43	-2.0	-95.74	375.52	-0.84	-96.58
CN(CC1CN(C(=O)C2=CC=C(F)C(O)=C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803199	0	43	-2.0	-94.85	363.15	1.19	-93.66
CN(CC1CN(C(=O)C2=CC=C(F)C([O-])=C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803199	1	43	-2.0	-94.85	363.15	1.19	-93.66
CN(CC1CN(C(=O)C2=CC=C(Cl)C=C2O)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803217	0	43	-2.0	-108.05	376.26	2.36	-105.69
CN(CC1CN(C(=O)C2=CC=C(Cl)C=C2[O-])CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803217	1	43	-2.0	-108.05	376.26	2.36	-105.69
CN(CC1CN(C(=O)C2=NC(=O)[N-]C(=O)N2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803286	0	41	-2.0	-90.24	354.01	-4.29	-94.53
CN(CC1CN(C(=O)C2=NC(=O)NC(=O)[N-]2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803286	1	41	-2.0	-89.42	354.26	-3.57	-92.99
CN(CC1CN(C(=O)C2=CN=C(N)[N-]C2=O)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803343	1	43	-2.0	-91.81	360.92	-1.71	-93.52
CN(CC1CN(C(=O)C2=CC=C(F)C([O-])=C2F)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803377	0	43	-2.0	-102.28	367.93	1.27	-101.01
COC1=NC(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=CC(=O)[N-]1	REAL300030803420	0	45	-2.0	-92.26	377.87	-3.21	-95.47
CN(CC1CN(C(=O)C2=NC=CC(Cl)=C2[O-])CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803430	0	42	-2.0	-103.30	368.38	2.27	-101.03
CN(CC1CN(C(=O)C2=CC=C(Cl)C([O-])=C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803468	0	43	-2.0	-91.16	372.95	1.67	-89.49
CN(CC1CN(C(=O)C2=CC=NC=C2[O-])CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803477	0	42	-2.0	-108.74	351.82	0.46	-108.28
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803483	0	39	-2.0	-97.16	334.07	-1.73	-98.89
CC1=C([O-])N=C(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030803506	1	42	-2.0	-96.83	366.10	-0.91	-97.74
CN(CC1CN(C(=O)C(=O)C2=CC=C([O-])C=C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803599	1	45	-2.0	-96.43	385.38	1.16	-95.27
CN(CC1CN(C(=O)C2=CN=C(C=N[O-])S2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803619	0	42	-2.0	-103.80	374.47	-0.95	-104.75
CN(CC1CN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803641	1	42	-2.0	-88.32	371.40	1.55	-86.77
CN(CC1CN(C(=O)C2=CC(=O)NC([O-])=C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803661	0	43	-2.0	-90.29	369.69	-3.08	-93.37
CCN1[N-]C(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030803722	0	46	-2.0	-95.58	383.69	0.82	-94.76
CN(CC1CN(C(=O)C2=CC(=O)N(C)[N-]2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803741	0	43	-2.0	-94.39	362.65	-0.17	-94.56
CN(CC1CN(C(=O)CSC2=NNC(=O)[N-]2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803751	0	43	-2.0	-94.99	379.09	-2.18	-97.17
CN(CC1CN(C(=O)CC2=CC(=O)N[N-]2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803881	1	43	-2.0	-102.20	362.78	-1.42	-103.62
CN(CC1CN(C(=O)C2=CC=C([O-])C(F)=C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803886	1	43	-2.0	-93.29	363.12	1.22	-92.07
CN(CC1CN(C(=O)C2=CC(F)=C([O-])C(F)=C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803933	0	43	-2.0	-95.07	370.88	1.16	-93.91
CN(CC1CN(C(=O)C2=CC=NC(Cl)=C2[O-])CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030803938	0	42	-2.0	-97.92	366.70	1.08	-96.84
CC1=C(CC(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N(C)[N-]1	REAL300030803953	0	49	-2.0	-100.79	405.65	0.98	-99.81
CC1=CN=C(C(=O)N2CCOC(CN(C)C(=O)C3=CC(=O)[N-]O3)C2)C([O-])=C1	REAL300030803989	1	45	-2.0	-102.65	372.80	2.51	-100.14
CN(CC1CN(C(=O)C2=CC([O-])=CS2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030804011	0	40	-2.0	-97.94	346.52	0.77	-97.17
CN(CC1CN(C(=O)C2=CN([O-])C(=O)C=C2)CCO1)C(=O)C1=CC(=O)[N-]O1	REAL300030804027	0	43	-2.0	-100.11	370.85	1.77	-98.34
CN(CC1CN(C(=O)C2=CC(=O)[N-]O2)CCO1)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300030804055	0	43	-2.0	-92.41	373.79	-0.78	-93.19
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1=NNC(=O)[N-]C1=O	REAL300030804970	0	44	-2.0	-98.05	372.90	-2.13	-100.18
O=C(CN1C(=O)[N-]NC1=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805031	0	46	-2.0	-99.47	387.02	-0.49	-99.96
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1=CN([O-])C(=O)C=C1	REAL300030805459	0	46	-2.0	-109.34	383.95	3.92	-105.42
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)NC([O-])=C1	REAL300030805547	0	46	-2.0	-94.06	384.45	-0.92	-94.98
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300030805558	1	42	-2.0	-99.11	356.49	-1.15	-100.26
O=C([N-]CC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C(F)(F)C(F)(F)F	REAL300030805624	1	41	-2.0	-97.12	364.10	3.52	-93.60
CCN1[N-]C(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030805682	0	49	-2.0	-99.13	405.89	2.56	-96.57
O=C(CC1=CC(=O)N[N-]1)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805689	1	46	-2.0	-102.13	382.01	0.55	-101.58
CN1N=C(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030805716	0	45	-2.0	-103.47	373.71	0.51	-102.96
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1=C[N-]N=CC1=O	REAL300030805779	0	44	-2.0	-92.82	365.31	2.00	-90.82
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300030805850	0	43	-2.0	-95.64	361.34	-0.08	-95.72
C[PH](C)([O-])C(=O)C(=O)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805855	0	48	-2.0	-96.69	393.29	1.48	-95.21
CN1[N-]C(CC(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030805857	0	49	-2.0	-102.94	408.89	2.40	-100.54
O=C(CCC1=NC(=O)[N-]N1)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030805877	1	48	-2.0	-104.59	397.27	-0.42	-105.01
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CN([O-])C1=O	REAL300030805880	0	46	-2.0	-110.75	380.07	4.03	-106.72
CC1=C([O-])N=C(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300030805901	1	45	-2.0	-105.84	382.93	0.43	-105.41
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N([O-])C=C1	REAL300030805919	0	46	-2.0	-107.50	384.35	3.99	-103.51
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1=CC=CC(=O)N1[O-]	REAL300030805944	0	46	-2.0	-125.93	380.22	4.88	-121.05
O=C(CC1=NC([O-])=CS1)NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1	REAL300030806063	0	45	-2.0	-106.46	391.90	-0.04	-106.50
CC1=CC(=O)C(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030806233	0	47	-2.0	-101.11	394.12	3.85	-97.26
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300030806244	0	42	-2.0	-98.91	350.97	-0.99	-99.90
CN1[N-]C(C(=O)NCC2C(C3CC3)CCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030806445	0	46	-2.0	-100.36	379.20	2.01	-98.35
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)[N-]C(=O)N1	REAL300030806551	0	44	-2.0	-94.14	368.86	-2.15	-96.29
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)NC(=O)[N-]1	REAL300030806551	1	44	-2.0	-94.14	368.86	-2.15	-96.29
O=C(NCC1C(C2CC2)CCN1C(=O)C1=NC=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030806906	1	45	-2.0	-110.05	371.71	3.81	-106.24
O=C(NCC1C(C2CC2)CCN1C(=O)C1=NNC(=O)[N-]C1=O)C1=CC(=O)[N-]O1	REAL300030807003	0	44	-2.0	-99.64	372.54	-1.89	-101.53
O=C(CN1C(=O)[N-]NC1=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030807099	0	46	-2.0	-105.83	389.83	-0.39	-106.22
N#CC1=CC([O-])=CC(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030807886	1	47	-2.0	-93.58	395.10	3.56	-90.02
O=C(NCC1C(C2CC2)CCN1C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030807944	1	42	-2.0	-94.89	351.26	0.47	-94.42
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC=C([O-])C=C1F)C1=CC(=O)[N-]O1	REAL300030808014	1	46	-2.0	-103.39	383.91	3.56	-99.83
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC([O-])=CC(=O)O1)C1=CC(=O)[N-]O1	REAL300030808019	0	45	-2.0	-94.66	381.30	2.65	-92.01
N#CC1=CC=C(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C=C1[O-]	REAL300030808021	1	47	-2.0	-93.17	395.41	3.58	-89.59
CC1=CC=C([O-])C(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030808072	1	48	-2.0	-109.08	394.57	4.47	-104.61
O=C(CCC1=NC(=O)[N-]N1)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808073	1	48	-2.0	-104.10	395.79	0.16	-103.94
O=C(NCC1C(C2CC2)CCN1C(=O)C1=C[N-]N=CC1=O)C1=CC(=O)[N-]O1	REAL300030808084	0	44	-2.0	-94.58	367.31	1.86	-92.72
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC=CC(F)=C1[O-])C1=CC(=O)[N-]O1	REAL300030808089	0	46	-2.0	-130.36	377.82	4.63	-125.73
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC=CC([O-])=C1F)C1=CC(=O)[N-]O1	REAL300030808150	1	46	-2.0	-125.12	378.16	3.30	-121.82
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300030808213	0	43	-2.0	-95.04	361.09	0.23	-94.81
C[PH](C)([O-])C(=O)C(=O)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808218	0	48	-2.0	-96.93	395.14	1.76	-95.17
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)N([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030808270	0	46	-2.0	-120.52	377.83	3.85	-116.67
O=C(NCC1C(C2CC2)CCN1C(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300030808287	0	42	-2.0	-94.69	354.59	-0.57	-95.26
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC=CN([O-])C1=O)C1=CC(=O)[N-]O1	REAL300030808291	0	46	-2.0	-114.97	385.11	3.95	-111.02
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(F)=CC=C1O)C1=CC(=O)[N-]O1	REAL300030808393	0	46	-2.0	-113.06	380.29	4.66	-108.40
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(F)=CC=C1[O-])C1=CC(=O)[N-]O1	REAL300030808393	1	46	-2.0	-113.06	380.29	4.66	-108.40
CC1=CC=NC(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)=C1O	REAL300030808437	0	48	-2.0	-107.97	393.30	4.60	-103.37
CC1=CC=NC(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300030808437	1	48	-2.0	-107.97	393.30	4.60	-103.37
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CN=CC(O)=C1)C1=CC(=O)[N-]O1	REAL300030808500	0	45	-2.0	-112.05	366.87	1.46	-110.59
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CN=CC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030808500	1	45	-2.0	-112.05	366.87	1.46	-110.59
O=C(CC1=NC([O-])=CS1)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030808591	0	45	-2.0	-109.03	386.38	0.41	-108.62
CC1=CC(=O)C(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030808693	0	47	-2.0	-99.58	389.75	4.00	-95.58
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC=CC(=O)N1[O-])C1=CC(=O)[N-]O1	REAL300030808706	0	46	-2.0	-119.43	393.23	4.13	-115.30
N#CC1=CC=C(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030808722	0	46	-2.0	-87.04	390.99	1.68	-85.36
CN1N=C(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030808747	0	45	-2.0	-101.71	378.53	0.41	-101.30
N#CC1=CC=C([O-])C(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)=C1	REAL300030808783	0	47	-2.0	-109.61	398.06	5.25	-104.36
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC=C(F)C([O-])=C1)C1=CC(=O)[N-]O1	REAL300030808868	1	46	-2.0	-97.27	381.35	3.20	-94.07
O=C(NCC1C(C2CC2)CCN1C(=O)C1=NC(=O)[N-]C(=O)N1)C1=CC(=O)[N-]O1	REAL300030808915	0	44	-2.0	-92.87	369.65	-1.08	-93.95
O=C(NCC1C(C2CC2)CCN1C(=O)C1=NC(=O)NC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030808915	1	44	-2.0	-92.87	369.65	-1.08	-93.95
NC1=NC=C(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030808946	0	46	-2.0	-100.88	385.60	0.71	-100.17
NC1=NC=C(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030808946	1	46	-2.0	-100.88	385.60	0.71	-100.17
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300030809030	0	42	-2.0	-100.14	356.06	0.32	-99.82
CC1SC(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030809044	0	45	-2.0	-100.66	388.02	0.88	-99.78
CC1=C([O-])N=C(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030809044	1	45	-2.0	-100.66	388.02	0.88	-99.78
O=C(NCC1C(C2CC2)CCN1C(=O)C(=O)C1=CC=C(O)C=C1)C1=CC(=O)[N-]O1	REAL300030809115	0	48	-2.0	-97.20	394.16	3.87	-93.33
O=C(NCC1C(C2CC2)CCN1C(=O)C(=O)C1=CC=C([O-])C=C1)C1=CC(=O)[N-]O1	REAL300030809115	1	48	-2.0	-97.20	394.16	3.87	-93.33
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC(=O)NC([O-])=C1)C1=CC(=O)[N-]O1	REAL300030809147	0	46	-2.0	-97.73	385.13	-0.88	-98.61
CCN1[N-]C(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030809189	0	49	-2.0	-98.56	409.71	3.00	-95.56
CN1[N-]C(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030809201	0	46	-2.0	-97.10	386.99	2.16	-94.94
O=C(CC1=CC(=O)NN1)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030809271	0	46	-2.0	-103.63	380.53	1.11	-102.52
O=C(CC1=CC(=O)N[N-]1)N1CCC(C2CC2)C1CNC(=O)C1=CC(=O)[N-]O1	REAL300030809271	1	46	-2.0	-103.63	380.53	1.11	-102.52
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC=C(O)C(F)=C1)C1=CC(=O)[N-]O1	REAL300030809275	0	46	-2.0	-100.96	381.38	3.24	-97.72
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC=C([O-])C(F)=C1)C1=CC(=O)[N-]O1	REAL300030809275	1	46	-2.0	-100.96	381.38	3.24	-97.72
CC1=CN=C(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C(O)=C1	REAL300030809333	0	48	-2.0	-109.80	394.41	4.55	-105.25
CC1=CN=C(C(=O)N2CCC(C3CC3)C2CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030809333	1	48	-2.0	-109.80	394.41	4.55	-105.25
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CC([O-])=CS1)C1=CC(=O)[N-]O1	REAL300030809345	0	43	-2.0	-114.00	367.05	2.17	-111.83
O=C(NCC1C(C2CC2)CCN1C(=O)C1=CN([O-])C(=O)C=C1)C1=CC(=O)[N-]O1	REAL300030809356	0	46	-2.0	-121.67	379.26	3.68	-117.99
CC1CC(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030810336	1	47	-2.0	-100.90	392.17	1.01	-99.89
CC1CC(CNC(=O)CCCN2C(=O)[N-]NC2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811048	0	48	-2.0	-95.84	405.54	-1.27	-97.11
CC1CC(CNC(=O)CCC2=NNC(=O)[N-]C2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811287	0	46	-2.0	-94.70	393.22	-4.01	-98.71
CC(=O)[N-]C1=NC(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)=CS1	REAL300030811288	1	44	-2.0	-96.08	387.45	-0.50	-96.58
CC1CC(CNC(=O)CCN2C=C[N-]C(=O)C2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811467	1	47	-2.0	-99.05	399.16	0.07	-98.98
COC1=C(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)NC(=O)[N-]C1=O	REAL300030811589	1	45	-2.0	-101.04	382.49	-2.83	-103.87
CC1CC(CNC(=O)C2=NNC(=O)[N-]C2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811716	0	40	-2.0	-98.70	347.75	-4.20	-102.90
CC1CC(CNC(=O)CN2C(=O)[N-]NC2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030811844	0	42	-2.0	-96.47	363.01	-2.47	-98.94
CC1CC(CNC(=O)C2=CN([O-])C(=O)C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812799	0	42	-2.0	-107.12	359.98	2.00	-105.12
CC1CC(CNC(=O)C2=CC(=O)NC([O-])=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812983	0	42	-2.0	-96.02	360.45	-2.92	-98.94
CC1CC(CNC(=O)C2=COC(=O)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030812996	1	38	-2.0	-100.50	332.50	-3.07	-103.57
CCN1[N-]C(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)=CC1=O	REAL300030813247	0	45	-2.0	-98.17	381.90	0.56	-97.61
CC1CC(CNC(=O)CC2=CC(=O)N[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813256	1	42	-2.0	-98.74	358.00	-1.43	-100.17
CC1CC(CNC(=O)C2=CC=CC(=S)N2[O-])CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813281	0	42	-2.0	-118.46	368.58	4.03	-114.43
CC1CC(CNC(=O)CC2SC(=O)[N-]C2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813297	0	42	-2.0	-95.67	369.97	-3.01	-98.68
CC1CC(CNC(=O)C2=NN(C)C(=O)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813316	0	41	-2.0	-100.38	354.65	-1.89	-102.27
CC1CC(CNC(=O)C2=C[N-]N=CC2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813444	0	40	-2.0	-91.71	341.55	0.09	-91.62
CC1CC(CNC(=O)C2=CC=C3N=NN([O-])C3=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813484	0	44	-2.0	-105.18	375.40	0.42	-104.76
CC1CC(CNC(=O)C2=CC(=O)N[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813591	0	39	-2.0	-95.32	337.35	-2.09	-97.41
CC1CC(CNC(=O)C(=O)[PH](C)(C)[O-])CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813596	0	44	-2.0	-92.17	370.48	-0.69	-92.86
CC1CC(CNC(=O)C2=CC=CN([O-])C2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813647	0	42	-2.0	-117.80	357.58	2.16	-115.64
CSC1=NC=C(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030813668	0	44	-2.0	-100.13	382.59	-0.11	-100.24
CSC1=NC=C(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030813668	1	44	-2.0	-100.13	382.59	-0.11	-100.24
CC1CC(CNC(=O)C2=NC(=O)C(C)S2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813694	0	41	-2.0	-109.16	363.89	-1.95	-111.11
CC1=C([O-])N=C(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)S1	REAL300030813694	1	41	-2.0	-109.16	363.89	-1.95	-111.11
CC1CC(CNC(=O)C2=CC(=O)C=C(Cl)N2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813717	0	41	-2.0	-92.56	366.34	1.14	-91.42
CC1CC(CNC(=O)C2=CC(=O)C=C(Cl)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813717	1	41	-2.0	-92.56	366.34	1.14	-91.42
CC1CC(CNC(=O)C2=CC(=O)N([O-])C=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813742	0	42	-2.0	-108.71	360.36	1.98	-106.73
CC1CC(CNC(=O)C2=CC=CC(=O)N2[O-])CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813807	0	42	-2.0	-116.90	357.47	3.00	-113.90
CC1CC(CNC(=O)C[N-]C(=O)C(F)(F)F)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813991	0	41	-2.0	-93.23	367.47	-2.18	-95.41
CC1CC(CNC(=O)CC2=C([O-])N=C(N)S2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030813992	0	43	-2.0	-114.41	378.96	-2.98	-117.39
CC1CC(CNC(=O)CC2=NC([O-])=CS2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814058	0	41	-2.0	-114.46	362.71	-2.24	-116.70
CCC1=NC=C(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030814085	1	46	-2.0	-99.02	381.34	0.35	-98.67
CC1CC(CNC(=O)CN2N=CC(=O)[N-]C2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814098	0	43	-2.0	-102.58	373.34	-3.59	-106.17
CC1CC(CNC(=O)C2=C(Cl)C(=O)[N-]S2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814183	0	38	-2.0	-96.32	353.76	-0.85	-97.17
COCC1=NC=C(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)N1	REAL300030814302	0	47	-2.0	-99.58	394.27	-1.40	-100.98
COCC1=NC=C(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C(=O)[N-]1	REAL300030814302	1	47	-2.0	-99.58	394.27	-1.40	-100.98
CC1=CC(=O)C(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)=N[N-]1	REAL300030814409	0	43	-2.0	-99.94	364.91	1.65	-98.29
CC1CC(CNC(=O)C2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814428	0	38	-2.0	-98.05	331.84	-3.53	-101.58
CC1CC(CNC(=O)C2=CNC(=O)C([N+](=O)[O-])=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814454	0	43	-2.0	-96.32	373.38	0.86	-95.46
CC1CC(CNC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814454	1	43	-2.0	-96.32	373.38	0.86	-95.46
CC1CC(CNC(=O)C2=CN=C(C=N[O-])S2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814602	0	41	-2.0	-105.27	372.72	-0.49	-105.76
CC1CC(CNC(=O)C2=CC(=O)N(C)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814855	0	42	-2.0	-98.55	359.02	-0.45	-99.00
CC1CC(CNC(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814865	1	45	-2.0	-103.22	382.87	0.06	-103.16
CC1CC(CNC(=O)CSC2=NNC(=O)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030814868	0	42	-2.0	-96.48	374.50	-2.30	-98.78
CC1=C(C(=O)NCC2CC(C)N(C(=O)C3=CC(=O)[N-]O3)C2)C(=S)[N-]C(=O)N1	REAL300030814869	1	44	-2.0	-117.09	387.77	-0.96	-118.05
CC1CC(CNC(=O)C2=NC(=O)[N-]C(=O)N2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815098	0	40	-2.0	-101.57	349.32	-5.22	-106.79
CC1CC(CNC(=O)C2=NC(=O)NC(=O)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815098	1	40	-2.0	-94.91	351.09	-4.38	-99.29
CC1CC(CNC(=O)COC2=NC(=O)[N-]C(=O)N2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815177	0	44	-2.0	-99.52	384.22	-5.93	-105.45
CC1CC(CNC(=O)COC2=NC(=O)NC(=O)[N-]2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815177	1	44	-2.0	-92.73	384.16	-5.86	-98.59
CC1CC(CNC(=O)CN2[N-]C(=O)C=CC2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030815330	0	44	-2.0	-100.15	377.97	-1.57	-101.72
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NC=CC=C1[O-]	REAL300030815587	1	41	-2.0	-101.57	348.97	1.91	-99.66
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300030815703	1	47	-2.0	-102.58	400.88	0.17	-102.41
CC(=O)[N-]C1=NC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)=CS1	REAL300030815715	1	44	-2.0	-92.20	387.39	0.05	-92.15
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300030815743	0	40	-2.0	-96.72	347.04	-4.03	-100.75
COC1=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)NC(=O)[N-]C1=O	REAL300030815792	1	45	-2.0	-103.25	378.45	-2.79	-106.04
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CN1C(=O)[N-]NC1=O	REAL300030815952	0	42	-2.0	-96.77	366.48	-2.39	-99.16
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCCN1C(=O)[N-]NC1=O	REAL300030816870	0	48	-2.0	-94.32	407.25	-1.19	-95.51
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300030817071	1	47	-2.0	-94.92	396.49	0.39	-94.53
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300030817843	0	46	-2.0	-93.86	396.68	-3.90	-97.76
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300030817851	0	44	-2.0	-96.29	374.25	2.73	-93.56
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300030817865	1	42	-2.0	-99.94	370.02	2.94	-97.00
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300030817896	1	43	-2.0	-97.56	374.58	1.51	-96.05
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(N)C(Cl)=C1[O-]	REAL300030817922	0	44	-2.0	-103.13	381.83	0.92	-102.21
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300030817973	0	44	-2.0	-105.65	380.65	3.85	-101.80
CCC1=NC=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)[N-]1	REAL300030818002	1	46	-2.0	-100.99	392.33	0.16	-100.83
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=COC(=O)[N-]1	REAL300030818023	1	38	-2.0	-99.53	331.01	-2.10	-101.63
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300030818124	0	41	-2.0	-92.60	369.38	-2.17	-94.77
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1=C([O-])N=C(N)S1	REAL300030818125	0	43	-2.0	-109.10	380.38	-2.93	-112.03
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C([O-])C=C1F	REAL300030818152	1	42	-2.0	-97.83	360.55	1.22	-96.61
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300030818161	0	41	-2.0	-98.47	357.60	0.68	-97.79
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300030818171	1	43	-2.0	-87.89	368.37	1.35	-86.54
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300030818177	0	41	-2.0	-97.28	365.36	1.00	-96.28
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1	REAL300030818180	0	44	-2.0	-97.78	389.06	-1.57	-99.35
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300030818196	0	43	-2.0	-99.18	376.53	-3.54	-102.72
CC1=CC=C([O-])C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)=N1	REAL300030818282	1	44	-2.0	-101.59	370.78	2.46	-99.13
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=C[N-]N=CC1=O	REAL300030818306	0	40	-2.0	-93.49	350.94	-0.14	-93.63
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300030818317	0	42	-2.0	-105.83	359.54	2.49	-103.34
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=CC([O-])=C1F	REAL300030818434	1	42	-2.0	-104.75	359.83	1.21	-103.54
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300030818505	0	44	-2.0	-105.38	376.07	2.81	-102.57
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(=O)N[N-]1	REAL300030818568	0	39	-2.0	-94.30	335.77	-1.86	-96.16
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300030818575	0	44	-2.0	-92.08	370.36	-0.60	-92.68
COCC1=NC=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)N1	REAL300030818635	0	47	-2.0	-101.58	405.26	-1.59	-103.17
COCC1=NC=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)[N-]1	REAL300030818635	1	47	-2.0	-101.58	405.26	-1.59	-103.17
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300030818688	0	42	-2.0	-111.66	368.20	1.97	-109.69
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL300030818721	0	42	-2.0	-100.58	364.99	1.06	-99.52
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NNC(=O)[N-]1	REAL300030818723	0	38	-2.0	-97.26	331.77	-3.22	-100.48
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=CN([O-])C1=O	REAL300030818735	0	42	-2.0	-117.71	368.23	1.95	-115.76
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NC(N)=CC(=O)[N-]1	REAL300030818871	0	42	-2.0	-99.05	359.59	-2.17	-101.22
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C([O-])C(Cl)=C1	REAL300030818935	0	42	-2.0	-91.04	364.19	1.47	-89.57
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300030818941	1	42	-2.0	-99.96	359.70	2.50	-97.46
CC1=CC=NC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)=C1[O-]	REAL300030819026	1	44	-2.0	-101.41	369.49	2.56	-98.85
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300030819082	0	42	-2.0	-110.52	368.42	3.11	-107.41
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN=CC([O-])=C1	REAL300030819194	1	41	-2.0	-101.96	345.05	-0.77	-102.73
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300030819206	0	42	-2.0	-122.54	378.03	2.40	-120.14
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300030819359	1	44	-2.0	-103.48	382.44	-0.37	-103.85
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300030819363	0	41	-2.0	-94.83	365.72	0.66	-94.17
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300030819426	1	42	-2.0	-96.91	369.21	1.65	-95.26
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300030819428	0	45	-2.0	-99.66	386.89	0.71	-98.95
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1=NC([O-])=CS1	REAL300030819438	0	41	-2.0	-107.32	365.76	-2.11	-109.43
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300030819461	0	44	-2.0	-96.91	381.03	-1.48	-98.39
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300030819464	0	42	-2.0	-101.52	360.33	2.46	-99.06
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1SC(=O)[N-]C1=O	REAL300030819583	0	42	-2.0	-91.06	374.35	-2.78	-93.84
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300030819610	0	42	-2.0	-97.96	358.82	1.09	-96.87
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030819613	1	43	-2.0	-91.34	383.84	-0.07	-91.41
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300030819618	0	42	-2.0	-101.09	369.34	2.96	-98.13
CC1=CC(=O)C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)=N[N-]1	REAL300030819651	0	43	-2.0	-97.23	364.23	1.84	-95.39
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300030819656	0	47	-2.0	-104.82	397.74	1.63	-103.19
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300030819684	0	42	-2.0	-118.78	366.92	1.77	-117.01
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300030819720	0	42	-2.0	-97.57	377.07	-0.35	-97.92
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300030819721	0	44	-2.0	-99.06	386.14	-5.95	-105.01
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300030819721	1	44	-2.0	-92.08	386.08	-5.91	-97.99
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300030819750	0	44	-2.0	-93.95	381.45	2.69	-91.26
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NN(C)C(=O)[N-]1	REAL300030819790	0	41	-2.0	-98.88	354.59	-1.57	-100.45
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300030819824	0	44	-2.0	-95.77	382.39	-1.00	-96.77
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(C#N)C=C1[O-]	REAL300030819856	0	43	-2.0	-99.05	374.75	2.80	-96.25
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300030819866	0	43	-2.0	-98.21	374.17	2.84	-95.37
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300030819987	0	42	-2.0	-99.56	370.74	-0.66	-100.22
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(F)C(O)=C1	REAL300030820051	0	42	-2.0	-91.92	354.43	0.96	-90.96
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300030820051	1	42	-2.0	-91.92	354.43	0.96	-90.96
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=C(O)C2=NC=CC=C2C=C1	REAL300030820059	0	47	-2.0	-110.94	394.64	2.87	-108.07
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300030820059	1	47	-2.0	-110.94	394.64	2.87	-108.07
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300030820063	0	44	-2.0	-98.44	382.09	3.05	-95.39
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300030820066	0	44	-2.0	-95.44	381.48	3.10	-92.34
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(Cl)C=C1O	REAL300030820077	0	42	-2.0	-101.25	370.65	2.91	-98.34
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300030820077	1	42	-2.0	-101.25	370.65	2.91	-98.34
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300030820163	0	40	-2.0	-102.11	350.10	-4.16	-106.27
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300030820163	1	40	-2.0	-93.59	350.70	-3.42	-97.01
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300030820190	0	44	-2.0	-109.88	375.98	0.19	-109.69
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300030820227	1	47	-2.0	-105.37	392.61	4.05	-101.32
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300030820228	0	38	-2.0	-97.13	353.07	-1.06	-98.19
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300030820247	1	42	-2.0	-101.97	365.52	-1.50	-103.47
CC1=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)[N-]C(=O)C(C#N)=C1	REAL300030820278	0	45	-2.0	-98.34	385.18	1.37	-96.97
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(F)C([O-])=C1F	REAL300030820298	0	42	-2.0	-109.31	358.79	1.05	-108.26
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300030820355	0	42	-2.0	-97.90	375.93	1.78	-96.12
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030820359	1	43	-2.0	-97.68	382.54	0.92	-96.76
COC1=NC(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)=CC(=O)[N-]1	REAL300030820365	0	44	-2.0	-95.10	373.91	-3.21	-98.31
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300030820367	0	44	-2.0	-90.91	375.13	-0.40	-91.31
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300030820375	0	41	-2.0	-97.54	365.18	2.42	-95.12
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300030820381	1	45	-2.0	-98.47	397.93	2.80	-95.67
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300030820414	0	42	-2.0	-88.57	364.24	1.46	-87.11
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=NC=C1[O-]	REAL300030820424	0	41	-2.0	-102.02	349.80	0.60	-101.42
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030820431	0	38	-2.0	-100.70	330.95	-1.66	-102.36
CC1=C([O-])N=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)S1	REAL300030820465	1	41	-2.0	-108.46	362.78	-1.27	-109.73
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300030820533	1	48	-2.0	-105.73	398.86	4.71	-101.02
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300030820541	1	48	-2.0	-107.79	400.24	4.64	-103.15
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300030820584	1	44	-2.0	-93.53	375.38	1.41	-92.12
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN=C(C=N[O-])S1	REAL300030820614	0	41	-2.0	-109.55	370.67	-0.81	-110.36
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300030820644	1	41	-2.0	-90.44	365.40	1.65	-88.79
CSC1=NC=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)[N-]1	REAL300030820668	1	44	-2.0	-102.05	393.64	-0.32	-102.37
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300030820676	0	42	-2.0	-93.87	368.15	-2.95	-96.82
CCN1[N-]C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)=CC1=O	REAL300030820753	0	45	-2.0	-95.93	380.32	0.78	-95.15
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(=O)N(C)[N-]1	REAL300030820771	0	42	-2.0	-95.02	360.02	-0.07	-95.09
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CSC1=NNC(=O)[N-]1	REAL300030820786	0	42	-2.0	-95.72	377.77	-2.11	-97.83
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)CC1=CC(=O)N[N-]1	REAL300030820935	1	42	-2.0	-97.68	361.47	-1.34	-99.02
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300030820942	1	42	-2.0	-93.92	354.39	1.00	-92.92
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300030820995	0	42	-2.0	-100.88	366.35	1.27	-99.61
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300030821000	0	41	-2.0	-99.60	364.67	1.03	-98.57
CC1=C(CC(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C(=O)N(C)[N-]1	REAL300030821017	0	48	-2.0	-100.68	404.29	1.07	-99.61
CC1=CN=C(C(=O)N2CC(CNC(=O)C3=CC(=O)[N-]O3)CC2C)C([O-])=C1	REAL300030821063	1	44	-2.0	-102.75	370.47	2.54	-100.21
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC([O-])=CS1	REAL300030821094	0	39	-2.0	-104.18	344.50	0.02	-104.16
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300030821114	0	42	-2.0	-108.51	367.85	1.96	-106.55
CC1CC(CNC(=O)C2=CC(=O)[N-]O2)CN1C(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300030821120	0	42	-2.0	-100.09	369.03	3.01	-97.08
CC1CC(CNC(=O)C2=CN([O-])C(=O)NC2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030821164	0	42	-2.0	-95.69	362.83	-0.37	-96.06
CC1CC(CNC(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CN1C(=O)C1=CC(=O)[N-]O1	REAL300030821199	1	43	-2.0	-90.55	373.87	0.25	-90.30
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CN=C(C2CC2)[N-]C1=O	REAL300030821710	1	43	-2.0	-98.43	370.38	-1.22	-99.65
O=C(CCCN1C(=O)[N-]NC1=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822301	0	44	-2.0	-110.48	378.25	-2.59	-113.07
O=C(CCC1=NNC(=O)[N-]C1=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822492	0	42	-2.0	-104.27	365.93	-5.30	-109.57
CC(=O)[N-]C1=NC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)=CS1	REAL300030822493	1	40	-2.0	-92.07	364.98	-2.83	-94.90
O=C(CCN1C=C[N-]C(=O)C1=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822639	1	43	-2.0	-93.49	370.91	-1.23	-94.72
COC1=C(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)NC(=O)[N-]C1=O	REAL300030822741	1	41	-2.0	-96.58	359.95	-5.18	-101.76
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=NNC(=O)[N-]C1=O	REAL300030822850	0	36	-2.0	-94.44	326.04	-6.46	-100.90
O=C(CN1C(=O)[N-]NC1=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030822953	0	38	-2.0	-97.17	340.47	-4.80	-101.97
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=N[N-]C2=CC=CC=C2C1=O	REAL300030823627	0	42	-2.0	-109.41	362.88	2.02	-107.39
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CN([O-])C(=O)C=C1	REAL300030823743	0	38	-2.0	-117.73	332.69	0.71	-117.02
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CC(=O)NC([O-])=C1	REAL300030823898	0	38	-2.0	-85.38	332.36	-4.27	-89.65
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=COC(=O)[N-]1	REAL300030823910	1	34	-2.0	-94.68	309.65	-5.37	-100.05
CCN1[N-]C(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)=CC1=O	REAL300030824123	0	41	-2.0	-96.41	359.40	-1.75	-98.16
O=C(CC1=CC(=O)N[N-]1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824131	1	38	-2.0	-98.51	335.48	-3.75	-102.26
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CC=CC(=S)N1[O-]	REAL300030824152	0	38	-2.0	-145.87	341.27	2.75	-143.12
O=C(CC1SC(=O)[N-]C1=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824166	0	38	-2.0	-98.69	343.81	-4.22	-102.91
CN1N=C(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)[N-]C1=O	REAL300030824182	0	37	-2.0	-108.41	327.35	-3.13	-111.54
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=C[N-]N=CC1=O	REAL300030824296	0	36	-2.0	-83.51	312.70	-1.29	-84.80
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CC=C2N=NN([O-])C2=C1	REAL300030824333	0	40	-2.0	-117.85	349.25	-0.78	-118.63
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CC(=O)N[N-]1	REAL300030824422	0	35	-2.0	-92.85	314.82	-4.39	-97.24
C[PH](C)([O-])C(=O)C(=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824426	0	40	-2.0	-96.56	342.25	-2.03	-98.59
O=C(CCC1=NC(=O)NN1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824462	0	40	-2.0	-103.83	345.96	-3.70	-107.53
O=C(CCC1=NC(=O)[N-]N1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824462	1	40	-2.0	-103.83	345.96	-3.70	-107.53
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CC=CN([O-])C1=O	REAL300030824469	0	38	-2.0	-110.78	334.68	-0.14	-110.92
CSC1=NC=C(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C(=O)N1	REAL300030824488	0	40	-2.0	-97.57	360.79	-2.34	-99.91
CSC1=NC=C(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C(=O)[N-]1	REAL300030824488	1	40	-2.0	-97.57	360.79	-2.34	-99.91
CC1SC(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)=NC1=O	REAL300030824509	0	37	-2.0	-101.70	340.93	-4.27	-105.97
CC1=C([O-])N=C(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)S1	REAL300030824509	1	37	-2.0	-101.70	340.93	-4.27	-105.97
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CC(=O)C=C(Cl)N1	REAL300030824528	0	37	-2.0	-88.46	344.63	-1.09	-89.55
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CC(=O)C=C(Cl)[N-]1	REAL300030824528	1	37	-2.0	-88.46	344.63	-1.09	-89.55
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CC(=O)N([O-])C=C1	REAL300030824546	0	38	-2.0	-105.74	337.80	-0.32	-106.06
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CC=CC(=O)N1[O-]	REAL300030824601	0	38	-2.0	-142.45	330.16	1.71	-140.74
NC1=NC([O-])=C(CC(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)S1	REAL300030824757	0	39	-2.0	-116.74	356.12	-5.34	-122.08
O=C(CC1=NC([O-])=CS1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824814	0	37	-2.0	-111.69	341.31	-4.48	-116.17
CCC1=NC=C(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C(=O)N1	REAL300030824835	0	42	-2.0	-96.58	359.54	-1.87	-98.45
CCC1=NC=C(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C(=O)[N-]1	REAL300030824835	1	42	-2.0	-96.58	359.54	-1.87	-98.45
O=C(CN1N=CC(=O)[N-]C1=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030824848	0	39	-2.0	-97.40	350.83	-5.90	-103.30
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=C(Cl)C(=O)[N-]S1	REAL300030824921	0	34	-2.0	-99.15	327.10	-2.02	-101.17
COCC1=NC=C(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C(=O)N1	REAL300030825017	0	43	-2.0	-97.11	372.47	-3.63	-100.74
COCC1=NC=C(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)C(=O)[N-]1	REAL300030825017	1	43	-2.0	-97.11	372.47	-3.63	-100.74
CC1=CC(=O)C(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)=N[N-]1	REAL300030825112	0	39	-2.0	-97.22	343.19	-0.60	-97.82
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=NNC(=O)[N-]1	REAL300030825128	0	34	-2.0	-103.54	304.03	-4.80	-108.34
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CNC(=O)C([N+](=O)[O-])=C1	REAL300030825145	0	39	-2.0	-85.16	345.96	-0.46	-85.62
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030825145	1	39	-2.0	-85.16	345.96	-0.46	-85.62
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CN=C(C=N[O-])S1	REAL300030825269	0	37	-2.0	-100.19	349.82	-2.80	-102.99
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CC=CC2=C1C(=O)N=CN2	REAL300030825449	0	42	-2.0	-113.30	357.10	1.27	-112.03
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CC=CC2=C1C(=O)N=C[N-]2	REAL300030825449	1	42	-2.0	-113.30	357.10	1.27	-112.03
CN1[N-]C(C(=O)NC2C3OCCN(C(=O)C4=CC(=O)[N-]O4)C23)=CC1=O	REAL300030825490	0	38	-2.0	-95.52	337.68	-2.68	-98.20
O=C(CSC1=NNC(=O)[N-]1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825501	0	38	-2.0	-102.74	347.03	-3.53	-106.27
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=NC(=O)[N-]C(=O)N1	REAL300030825694	0	36	-2.0	-95.00	327.51	-7.45	-102.45
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=NC(=O)NC(=O)[N-]1	REAL300030825694	1	36	-2.0	-90.51	328.63	-6.68	-97.19
O=C(COC1=NC(=O)[N-]C(=O)N1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825760	0	40	-2.0	-101.81	356.94	-7.21	-109.02
O=C(COC1=NC(=O)NC(=O)[N-]1)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825760	1	40	-2.0	-100.28	356.89	-7.16	-107.44
O=C(CN1[N-]C(=O)C=CC1=O)NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12	REAL300030825895	0	40	-2.0	-98.31	356.57	-3.80	-102.11
O=C(NC1C2OCCN(C(=O)C3=NC=CC=C3[O-])C12)C1=CC(=O)[N-]O1	REAL300030826150	1	37	-2.0	-101.26	321.19	0.66	-100.60
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030826266	1	43	-2.0	-102.85	374.02	-1.10	-103.95
CC(=O)[N-]C1=NC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=CS1	REAL300030826278	1	40	-2.0	-82.74	359.44	-1.19	-83.93
O=C(NC1C2OCCN(C(=O)C3=NNC(=O)[N-]C3=O)C12)C1=CC(=O)[N-]O1	REAL300030826306	0	36	-2.0	-93.45	326.27	-6.11	-99.56
COC1=C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)NC(=O)[N-]C1=O	REAL300030826355	1	41	-2.0	-104.36	364.14	-5.45	-109.81
O=C(CN1C(=O)[N-]NC1=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030826515	0	38	-2.0	-96.00	343.40	-4.70	-100.70
O=C(CCCN1C(=O)[N-]NC1=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030827433	0	44	-2.0	-93.46	380.58	-2.51	-95.97
O=C(NC1C2OCCN(C(=O)C3=CN=C(C4CC4)[N-]C3=O)C12)C1=CC(=O)[N-]O1	REAL300030827634	1	43	-2.0	-94.02	380.26	-1.52	-95.54
O=C(CCC1=NNC(=O)[N-]C1=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828406	0	42	-2.0	-93.19	373.66	-6.17	-99.36
O=C(NC1C2OCCN(C(=O)C3=CC=C([O-])C([N+](=O)[O-])=C3)C12)C1=CC(=O)[N-]O1	REAL300030828414	0	40	-2.0	-97.05	352.36	1.69	-95.36
O=C(NC1C2OCCN(C(=O)C3=CC(Cl)=CC=C3[O-])C12)C1=CC(=O)[N-]O1	REAL300030828428	1	38	-2.0	-107.70	340.63	1.83	-105.87
N#CC1=CC([O-])=CC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C1	REAL300030828459	1	39	-2.0	-102.13	348.93	0.28	-101.85
NC1=CC=C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C([O-])=C1Cl	REAL300030828485	0	40	-2.0	-103.23	352.98	-0.37	-103.60
O=C(NC1C2OCCN(C(=O)C3=CC=CC([N+](=O)[O-])=C3[O-])C12)C1=CC(=O)[N-]O1	REAL300030828536	0	40	-2.0	-102.41	353.68	2.32	-100.09
CCC1=NC=C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C(=O)[N-]1	REAL300030828565	1	42	-2.0	-92.58	369.43	-2.17	-94.75
O=C(NC1C2OCCN(C(=O)C3=COC(=O)[N-]3)C12)C1=CC(=O)[N-]O1	REAL300030828586	1	34	-2.0	-93.57	309.75	-3.97	-97.54
O=C(C[N-]C(=O)C(F)(F)F)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828687	0	37	-2.0	-88.06	342.52	-3.48	-91.54
NC1=NC([O-])=C(CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)S1	REAL300030828688	0	39	-2.0	-102.46	353.71	-4.26	-106.72
O=C(NC1C2OCCN(C(=O)C3=CC=C([O-])C=C3F)C12)C1=CC(=O)[N-]O1	REAL300030828715	1	38	-2.0	-92.08	340.36	-1.04	-93.12
O=C(NC1C2OCCN(C(=O)C3=CC([O-])=CC(=O)O3)C12)C1=CC(=O)[N-]O1	REAL300030828724	0	37	-2.0	-96.79	330.21	-0.62	-97.41
N#CC1=CC=C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C=C1[O-]	REAL300030828734	1	39	-2.0	-97.80	348.23	0.34	-97.46
O=C(NC1C2OCCN(C(=O)C3=CC(Cl)=NC=C3[O-])C12)C1=CC(=O)[N-]O1	REAL300030828740	0	37	-2.0	-103.11	335.87	-0.08	-103.19
N#CC1=CC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C(N)[N-]C1=O	REAL300030828743	0	40	-2.0	-103.12	361.50	-2.89	-106.01
O=C(CN1N=CC(=O)[N-]C1=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828759	0	39	-2.0	-94.26	348.40	-4.88	-99.14
CC1=CC=C([O-])C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=N1	REAL300030828845	1	40	-2.0	-98.46	348.21	0.31	-98.15
O=C(CCC1=NC(=O)[N-]N1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030828848	1	40	-2.0	-97.37	353.66	-4.56	-101.93
O=C(NC1C2OCCN(C(=O)C3=C[N-]N=CC3=O)C12)C1=CC(=O)[N-]O1	REAL300030828869	0	36	-2.0	-85.79	317.96	-2.29	-88.08
O=C(NC1C2OCCN(C(=O)C3=CC=CC(F)=C3[O-])C12)C1=CC(=O)[N-]O1	REAL300030828880	0	38	-2.0	-114.96	330.11	1.37	-113.59
O=C(NC1C2OCCN(C(=O)C3=CC=CC([O-])=C3F)C12)C1=CC(=O)[N-]O1	REAL300030828997	1	38	-2.0	-109.68	330.41	-0.12	-109.80
O=C(NC1C2OCCN(C(=O)C3=CC=C([N+](=O)[O-])C([O-])=C3)C12)C1=CC(=O)[N-]O1	REAL300030829068	0	40	-2.0	-98.47	354.05	1.70	-96.77
O=C(NC1C2OCCN(C(=O)C3=CC(=O)N[N-]3)C12)C1=CC(=O)[N-]O1	REAL300030829131	0	35	-2.0	-86.45	309.02	-3.03	-89.48
C[PH](C)([O-])C(=O)C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829138	0	40	-2.0	-87.81	348.30	-1.97	-89.78
O=C(C=C([O-])C1=CC=CC=N1)C(=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030829165	0	43	-2.0	-106.09	382.87	0.60	-105.49
COCC1=NC=C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C(=O)N1	REAL300030829198	0	43	-2.0	-94.01	382.36	-3.93	-97.94
COCC1=NC=C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C(=O)[N-]1	REAL300030829198	1	43	-2.0	-94.01	382.36	-3.93	-97.94
O=C(NC1C2OCCN(C(=O)C3=CC(=O)N([O-])C=C3)C12)C1=CC(=O)[N-]O1	REAL300030829251	0	38	-2.0	-119.35	340.17	0.69	-118.66
O=C(NC1C2OCCN(C(=O)C3=CC(F)=C(F)C([O-])=C3F)C12)C1=CC(=O)[N-]O1	REAL300030829284	0	38	-2.0	-101.10	342.89	0.00	-101.10
O=C(NC1C2OCCN(C(=O)C3=NNC(=O)[N-]3)C12)C1=CC(=O)[N-]O1	REAL300030829286	0	34	-2.0	-102.66	304.52	-4.45	-107.11
O=C(NC1C2OCCN(C(=O)C3=CC=CN([O-])C3=O)C12)C1=CC(=O)[N-]O1	REAL300030829298	0	38	-2.0	-108.05	339.51	0.66	-107.39
O=C(NC1C2OCCN(C(=O)C3=CC(F)=CC=C3O)C12)C1=CC(=O)[N-]O1	REAL300030829504	0	38	-2.0	-107.18	330.32	1.38	-105.80
O=C(NC1C2OCCN(C(=O)C3=CC(F)=CC=C3[O-])C12)C1=CC(=O)[N-]O1	REAL300030829504	1	38	-2.0	-107.18	330.32	1.38	-105.80
CC1=CC=NC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C1O	REAL300030829589	0	40	-2.0	-98.43	347.03	0.41	-98.02
CC1=CC=NC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C1[O-]	REAL300030829589	1	40	-2.0	-98.43	347.03	0.41	-98.02
O=C(NC1C2OCCN(C(=O)C3=CC=C(Cl)C(F)=C3[O-])C12)C1=CC(=O)[N-]O1	REAL300030829645	0	38	-2.0	-101.09	346.80	1.69	-99.40
O=C(NC1C2OCCN(C(=O)C3=CN=CC(O)=C3)C12)C1=CC(=O)[N-]O1	REAL300030829757	0	37	-2.0	-101.23	320.76	-2.06	-103.29
O=C(NC1C2OCCN(C(=O)C3=CN=CC([O-])=C3)C12)C1=CC(=O)[N-]O1	REAL300030829757	1	37	-2.0	-101.23	320.76	-2.06	-103.29
O=C(NC1C2OCCN(C(=O)C3=CC=CC(=S)N3[O-])C12)C1=CC(=O)[N-]O1	REAL300030829769	0	38	-2.0	-106.27	350.45	0.98	-105.29
NC1=CC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=CC([O-])=C1Cl	REAL300030829922	1	40	-2.0	-101.68	356.77	-1.61	-103.29
O=C(NC1C2OCCN(C(=O)C3=CC=C([O-])C(Cl)=N3)C12)C1=CC(=O)[N-]O1	REAL300030829926	0	37	-2.0	-83.29	339.51	-0.50	-83.79
O=C(NC1C2OCCN(C(=O)C3=CC=C([O-])C=C3Cl)C12)C1=CC(=O)[N-]O1	REAL300030829989	1	38	-2.0	-91.84	349.08	-0.61	-92.45
N#CC1=CC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C([O-])C=C1N	REAL300030829991	0	41	-2.0	-95.73	358.18	-0.59	-96.32
O=C(CC1=NC([O-])=CS1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830001	0	37	-2.0	-102.88	338.90	-3.37	-106.25
O=C(CN1[N-]C(=O)C=CC1=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830024	0	40	-2.0	-94.87	354.17	-2.77	-97.64
O=C(NC1C2OCCN(C(=O)C3=CC=C(F)C=C3[O-])C12)C1=CC(=O)[N-]O1	REAL300030830027	0	38	-2.0	-93.67	340.12	-0.33	-94.00
O=C(CC1SC(=O)[N-]C1=O)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830146	0	38	-2.0	-100.59	346.62	-4.04	-104.63
O=C(NC1C2OCCN(C(=O)C3=CC=C([O-])C(F)=C3F)C12)C1=CC(=O)[N-]O1	REAL300030830173	0	38	-2.0	-91.58	337.20	-0.11	-91.69
O=C(NC1C2OCCN(C(=O)C3=CC([N+](=O)[O-])=C[N-]C3=O)C12)C1=CC(=O)[N-]O1	REAL300030830176	1	39	-2.0	-97.55	355.82	-1.35	-98.90
O=C(NC1C2OCCN(C(=O)C3=CC=CC(Cl)=C3[O-])C12)C1=CC(=O)[N-]O1	REAL300030830181	0	38	-2.0	-110.02	339.91	1.84	-108.18
CC1=CC(=O)C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=N[N-]1	REAL300030830214	0	39	-2.0	-92.56	343.43	-0.24	-92.80
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830219	0	43	-2.0	-106.86	369.79	0.32	-106.54
O=C(NC1C2OCCN(C(=O)C3=CC=CC(=O)N3[O-])C12)C1=CC(=O)[N-]O1	REAL300030830247	0	38	-2.0	-104.43	339.34	0.36	-104.07
N#CC1=CC=C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C(=O)[N-]1	REAL300030830283	0	38	-2.0	-90.42	344.59	-2.58	-93.00
O=C(COC1=NC(=O)[N-]C(=O)N1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830284	0	40	-2.0	-93.14	364.66	-8.05	-101.19
O=C(COC1=NC(=O)NC(=O)[N-]1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830284	1	40	-2.0	-97.01	359.67	-6.97	-103.98
O=C(NC1C2OCCN(C(=O)C3=CC([O-])=CC=C3[N+](=O)[O-])C12)C1=CC(=O)[N-]O1	REAL300030830313	0	40	-2.0	-103.86	354.26	1.45	-102.41
CN1N=C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)[N-]C1=O	REAL300030830353	0	37	-2.0	-92.83	326.47	-2.84	-95.67
[N-]=[N+]=NC1=CC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=CC=C1[O-]	REAL300030830387	0	40	-2.0	-99.02	355.31	-2.22	-101.24
N#CC1=CC=C([O-])C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=C1	REAL300030830429	0	39	-2.0	-103.49	344.76	1.73	-101.76
O=C(NC1C2OCCN(C(=O)C3=CN([O-])C(=O)NC3=O)C12)C1=CC(=O)[N-]O1	REAL300030830550	0	38	-2.0	-89.14	335.66	-2.26	-91.40
O=C(NC1C2OCCN(C(=O)C3=CC(Cl)=C(F)C=C3[O-])C12)C1=CC(=O)[N-]O1	REAL300030830587	0	38	-2.0	-93.02	346.99	1.69	-91.33
O=C(NC1C2OCCN(C(=O)C3=CC=C(F)C([O-])=C3)C12)C1=CC(=O)[N-]O1	REAL300030830614	1	38	-2.0	-102.27	334.29	-0.04	-102.31
O=C(NC1C2OCCN(C(=O)C3=C([O-])C4=NC=CC=C4C=C3)C12)C1=CC(=O)[N-]O1	REAL300030830622	1	43	-2.0	-122.05	364.71	1.80	-120.25
O=C(NC1C2OCCN(C(=O)C3=CC=C([N+](=O)[O-])C=C3[O-])C12)C1=CC(=O)[N-]O1	REAL300030830626	0	40	-2.0	-90.32	361.87	0.28	-90.04
O=C(NC1C2OCCN(C(=O)C3=CC([N+](=O)[O-])=CC=C3[O-])C12)C1=CC(=O)[N-]O1	REAL300030830629	0	40	-2.0	-100.16	352.07	1.97	-98.19
O=C(NC1C2OCCN(C(=O)C3=CC=C(Cl)C=C3[O-])C12)C1=CC(=O)[N-]O1	REAL300030830640	1	38	-2.0	-93.70	350.44	0.12	-93.58
O=C(NC1C2OCCN(C(=O)C3=CC([O-])=CC([N+](=O)[O-])=C3)C12)C1=CC(=O)[N-]O1	REAL300030830654	0	40	-2.0	-100.04	356.26	0.58	-99.46
O=C(NC1C2OCCN(C(=O)C3=NC(=O)[N-]C(=O)N3)C12)C1=CC(=O)[N-]O1	REAL300030830726	0	36	-2.0	-96.99	327.79	-6.35	-103.34
O=C(NC1C2OCCN(C(=O)C3=NC(=O)NC(=O)[N-]3)C12)C1=CC(=O)[N-]O1	REAL300030830726	1	36	-2.0	-93.59	323.51	-4.55	-98.14
O=C(NC1C2OCCN(C(=O)C3=CC=C4N=NN([O-])C4=C3)C12)C1=CC(=O)[N-]O1	REAL300030830753	0	40	-2.0	-104.92	347.92	-1.14	-106.06
O=C(NC1C2OCCN(C(=O)C3=C([O-])C4=CC=CC=C4C=N3)C12)C1=CC(=O)[N-]O1	REAL300030830790	1	43	-2.0	-119.24	367.03	3.07	-116.17
O=C(NC1C2OCCN(C(=O)C3=C(Cl)C(=O)[N-]S3)C12)C1=CC(=O)[N-]O1	REAL300030830791	0	34	-2.0	-99.52	325.30	-2.37	-101.89
NC1=NC=C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C(=O)[N-]1	REAL300030830810	1	38	-2.0	-93.13	342.79	-3.83	-96.96
CC1=C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)[N-]C(=O)C(C#N)=C1	REAL300030830841	0	41	-2.0	-88.72	365.95	-1.34	-90.06
O=C(NC1C2OCCN(C(=O)C3=CC=C(F)C([O-])=C3F)C12)C1=CC(=O)[N-]O1	REAL300030830861	0	38	-2.0	-100.76	337.15	-0.13	-100.89
O=C(NC1C2OCCN(C(=O)C3=CC(F)=C([O-])C(Cl)=C3)C12)C1=CC(=O)[N-]O1	REAL300030830918	0	38	-2.0	-98.78	350.26	0.55	-98.23
O=C(NC1C2OCCN(C(=O)C3=C[N-]C(=O)C([N+](=O)[O-])=C3)C12)C1=CC(=O)[N-]O1	REAL300030830922	1	39	-2.0	-94.22	354.22	-1.64	-95.86
COC1=NC(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=CC(=O)[N-]1	REAL300030830928	0	40	-2.0	-102.78	346.21	-4.44	-107.22
O=C(NC1C2OCCN(C(=O)C3=CC=C4N[N-]N=C4C3=O)C12)C1=CC(=O)[N-]O1	REAL300030830930	0	40	-2.0	-96.18	339.58	-0.69	-96.87
O=C(NC1C2OCCN(C(=O)C3=NC=CC(Cl)=C3[O-])C12)C1=CC(=O)[N-]O1	REAL300030830938	0	37	-2.0	-110.17	338.06	1.28	-108.89
O=C(CC1=CC=C([O-])C(Cl)=C1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030830944	1	41	-2.0	-101.39	375.35	0.48	-100.91
O=C(NC1C2OCCN(C(=O)C3=CC=C(Cl)C([O-])=C3)C12)C1=CC(=O)[N-]O1	REAL300030830977	0	38	-2.0	-99.21	344.09	0.46	-98.75
O=C(NC1C2OCCN(C(=O)C3=CC=NC=C3[O-])C12)C1=CC(=O)[N-]O1	REAL300030830987	0	37	-2.0	-94.01	328.64	-2.28	-96.29
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CC(=O)[N-]O1	REAL300030830994	0	34	-2.0	-95.16	309.22	-3.90	-99.06
CC1=C([O-])N=C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)S1	REAL300030831028	1	37	-2.0	-101.50	341.36	-3.20	-104.70
O=C(NC1C2OCCN(C(=O)C3=C([O-])C4=CC=CC=C4C=C3)C12)C1=CC(=O)[N-]O1	REAL300030831096	1	44	-2.0	-116.51	368.87	3.65	-112.86
O=C(NC1C2OCCN(C(=O)C3=CC4=CC=CC=C4C=C3[O-])C12)C1=CC(=O)[N-]O1	REAL300030831104	1	44	-2.0	-118.34	370.05	3.59	-114.75
O=C(NC1C2OCCN(C(=O)C(=O)C3=CC=C([O-])C=C3)C12)C1=CC(=O)[N-]O1	REAL300030831147	1	40	-2.0	-87.92	361.07	-1.06	-88.98
O=C(NC1C2OCCN(C(=O)C3=CN=C(C=N[O-])S3)C12)C1=CC(=O)[N-]O1	REAL300030831177	0	37	-2.0	-99.23	342.64	-2.22	-101.45
O=C(NC1C2OCCN(C(=O)C3=CC(=O)C=C(Cl)[N-]3)C12)C1=CC(=O)[N-]O1	REAL300030831207	1	37	-2.0	-93.97	339.82	0.64	-93.33
CSC1=NC=C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C(=O)[N-]1	REAL300030831231	1	40	-2.0	-92.55	370.74	-2.67	-95.22
O=C(NC1C2OCCN(C(=O)C3=CC(=O)NC([O-])=C3)C12)C1=CC(=O)[N-]O1	REAL300030831239	0	38	-2.0	-95.15	331.82	-4.55	-99.70
CCN1[N-]C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=CC1=O	REAL300030831316	0	41	-2.0	-91.67	358.78	-1.32	-92.99
CN1[N-]C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)=CC1=O	REAL300030831334	0	38	-2.0	-91.19	337.05	-2.25	-93.44
O=C(CSC1=NNC(=O)[N-]1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831349	0	38	-2.0	-92.66	349.36	-3.42	-96.08
O=C(CC1=CC(=O)N[N-]1)N1CCOC2C(NC(=O)C3=CC(=O)[N-]O3)C21	REAL300030831498	1	38	-2.0	-98.78	338.41	-3.59	-102.37
O=C(NC1C2OCCN(C(=O)C3=CC=C([O-])C(F)=C3)C12)C1=CC(=O)[N-]O1	REAL300030831505	1	38	-2.0	-100.51	334.26	0.00	-100.51
O=C(NC1C2OCCN(C(=O)C3=CC(F)=C([O-])C(F)=C3)C12)C1=CC(=O)[N-]O1	REAL300030831558	0	38	-2.0	-98.81	338.14	-0.03	-98.84
O=C(NC1C2OCCN(C(=O)C3=CC=NC(Cl)=C3[O-])C12)C1=CC(=O)[N-]O1	REAL300030831563	0	37	-2.0	-106.46	335.18	-0.06	-106.52
CC1=C(CC(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C(=O)N(C)[N-]1	REAL300030831580	0	44	-2.0	-99.74	375.86	-0.25	-99.99
CC1=CN=C(C(=O)N2CCOC3C(NC(=O)C4=CC(=O)[N-]O4)C32)C([O-])=C1	REAL300030831626	1	40	-2.0	-116.16	343.31	1.40	-114.76
O=C(NC1C2OCCN(C(=O)C3=CC([O-])=CS3)C12)C1=CC(=O)[N-]O1	REAL300030831657	0	35	-2.0	-106.24	317.04	-1.26	-107.50
O=C(NC1C2OCCN(C(=O)C3=CN([O-])C(=O)C=C3)C12)C1=CC(=O)[N-]O1	REAL300030831677	0	38	-2.0	-108.09	331.28	0.36	-107.73
O=C(NC1C2OCCN(C(=O)C3=CC(F)=CC(Cl)=C3[O-])C12)C1=CC(=O)[N-]O1	REAL300030831683	0	38	-2.0	-91.20	350.10	1.46	-89.74
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CN([O-])C(=O)NC1=O	REAL300030831722	0	38	-2.0	-92.84	340.06	-2.69	-95.53
O=C(NC1C2OCCN(C(=O)C3=CC(=O)[N-]O3)C12)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030831752	1	39	-2.0	-103.11	346.91	0.14	-102.97
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)C1=COC(=O)[N-]1	REAL300030832519	1	43	-2.0	-96.80	343.56	-3.23	-100.03
O=C(CC1=CC(=O)N[N-]1)NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2	REAL300030832598	1	47	-2.0	-106.09	368.55	-1.58	-107.67
CN1N=C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)[N-]C1=O	REAL300030832607	0	46	-2.0	-104.52	365.68	-2.02	-106.54
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)C1=C[N-]N=CC1=O	REAL300030832639	0	45	-2.0	-83.81	356.62	-0.12	-83.93
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)C1=CC(=O)N[N-]1	REAL300030832673	0	44	-2.0	-93.08	352.46	-2.29	-95.37
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)C1=NC(=O)N[N-]1	REAL300030832851	0	43	-2.0	-97.41	342.95	-3.51	-100.92
CN1[N-]C(C(=O)NC2CN(C(=O)C3=CC(=O)[N-]O3)C3(C2)CCOCC3)=CC1=O	REAL300030832939	0	47	-2.0	-100.55	371.08	-0.53	-101.08
O=C(NC1CN(C(=O)C2=NC=CC=C2[O-])C2(C1)CCOCC2)C1=CC(=O)[N-]O1	REAL300030833295	1	46	-2.0	-100.36	359.52	1.23	-99.13
O=C(NC1CN(C(=O)C2=COC(=O)[N-]2)C2(C1)CCOCC2)C1=CC(=O)[N-]O1	REAL300030833701	1	43	-2.0	-97.34	343.23	-2.00	-99.34
O=C(NC1CN(C(=O)C2=C[N-]N=CC2=O)C2(C1)CCOCC2)C1=CC(=O)[N-]O1	REAL300030833771	0	45	-2.0	-86.90	355.00	-0.37	-87.27
O=C(NC1CN(C(=O)C2=CC(=O)N[N-]2)C2(C1)CCOCC2)C1=CC(=O)[N-]O1	REAL300030833822	0	44	-2.0	-94.65	348.14	-1.91	-96.56
O=C(NC1CN(C(=O)C2=NC(=O)N[N-]2)C2(C1)CCOCC2)C1=CC(=O)[N-]O1	REAL300030833849	0	43	-2.0	-96.83	342.64	-2.60	-99.43
O=C(NC1CN(C(=O)C2=CN=CC([O-])=C2)C2(C1)CCOCC2)C1=CC(=O)[N-]O1	REAL300030833946	1	46	-2.0	-100.71	358.95	-0.85	-101.56
CN1N=C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)[N-]C1=O	REAL300030834037	0	46	-2.0	-100.43	365.37	-1.67	-102.10
O=C(NC1CN(C(=O)C2=CC=NC=C2[O-])C2(C1)CCOCC2)C1=CC(=O)[N-]O1	REAL300030834149	0	46	-2.0	-95.63	363.39	-0.03	-95.66
O=C(NC1CN(C(=O)C2=CC(=O)[N-]O2)C2(C1)CCOCC2)C1=CC(=O)[N-]O1	REAL300030834152	0	43	-2.0	-101.05	343.13	-1.76	-102.81
CN1[N-]C(C(=O)N2CC(NC(=O)C3=CC(=O)[N-]O3)CC23CCOCC3)=CC1=O	REAL300030834232	0	47	-2.0	-96.75	370.87	-0.19	-96.94
O=C(CC1=CC(=O)N[N-]1)N1CC(NC(=O)C2=CC(=O)[N-]O2)CC12CCOCC2	REAL300030834270	1	47	-2.0	-97.92	371.82	-1.48	-99.40
O=C(NC1CN(C(=O)C2=CC([O-])=CS2)C2(C1)CCOCC2)C1=CC(=O)[N-]O1	REAL300030834306	0	44	-2.0	-103.96	355.08	-0.11	-104.07
C[C@@]1(CNC(=O)C2=CN=C(C3CC3)[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030834818	1	47	-2.0	-108.59	375.19	2.84	-105.75
C[C@@]1(CNC(=O)CCCN2C(=O)[N-]NC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835530	0	48	-2.0	-98.36	399.12	-0.66	-99.02
C[C@@]1(CNC(=O)CCC2=NNC(=O)[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835769	0	46	-2.0	-98.66	386.17	-3.47	-102.13
CC(=O)[N-]C1=NC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=CS1	REAL300030835770	1	44	-2.0	-96.46	381.04	0.14	-96.32
C[C@@]1(CNC(=O)CCN2C=C[N-]C(=O)C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030835949	1	47	-2.0	-109.30	391.63	0.66	-108.64
COC1=C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300030836071	1	45	-2.0	-98.90	375.61	-2.30	-101.20
C[C@@]1(CNC(=O)C2=NNC(=O)[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836198	0	40	-2.0	-101.35	341.84	-3.60	-104.95
C[C@@]1(CNC(=O)CN2C(=O)[N-]NC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030836326	0	42	-2.0	-102.88	355.95	-1.94	-104.82
C[C@@]1(CNC(=O)C2=CN([O-])C(=O)C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837281	0	42	-2.0	-110.64	352.94	2.52	-108.12
C[C@@]1(CNC(=O)C2=CC(=O)NC([O-])=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837465	0	42	-2.0	-96.11	353.43	-2.36	-98.47
C[C@@]1(CNC(=O)C2=COC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837478	1	38	-2.0	-99.37	325.48	-2.54	-101.91
C[C@@]1(C[N-]C(=O)C(F)(F)C(F)(F)F)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837609	1	37	-2.0	-96.52	329.40	2.21	-94.31
CCN1[N-]C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030837729	0	45	-2.0	-100.55	375.47	1.18	-99.37
C[C@@]1(CNC(=O)CC2=CC(=O)N[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837738	1	42	-2.0	-102.08	350.70	-0.89	-102.97
C[C@@]1(CNC(=O)C2=CC=CC(=S)N2[O-])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837763	0	42	-2.0	-112.47	358.51	3.29	-109.18
C[C@@]1(CNC(=O)CC2SC(=O)[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837779	0	42	-2.0	-95.81	364.06	-2.36	-98.17
CN1N=C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030837798	0	41	-2.0	-101.43	347.27	-1.34	-102.77
C[C@@]1(CNC(=O)C2=C[N-]N=CC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837926	0	40	-2.0	-93.28	334.69	0.70	-92.58
C[C@@]1(CNC(=O)C2=CC=C3N=NN([O-])C3=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030837966	0	44	-2.0	-104.54	370.11	1.17	-103.37
C[C@@]1(CNC(=O)C2=CC(=O)N[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838073	0	39	-2.0	-97.95	330.28	-1.54	-99.49
C[C@@]1(CNC(=O)C(=O)[PH](C)(C)[O-])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838078	0	44	-2.0	-98.49	364.16	-0.04	-98.53
C[C@@]1(CNC(=O)CCC2=NC(=O)NN2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838120	0	44	-2.0	-104.71	365.92	-1.88	-106.59
C[C@@]1(CNC(=O)CCC2=NC(=O)[N-]N2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838120	1	44	-2.0	-104.71	365.92	-1.88	-106.59
C[C@@]1(CNC(=O)C2=CC=CN([O-])C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838129	0	42	-2.0	-115.19	350.37	2.76	-112.43
CSC1=NC=C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030838150	0	44	-2.0	-107.92	365.31	1.79	-106.13
CSC1=NC=C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030838150	1	44	-2.0	-107.92	365.31	1.79	-106.13
CC1SC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030838176	0	41	-2.0	-104.19	356.79	-1.42	-105.61
CC1=C([O-])N=C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300030838176	1	41	-2.0	-104.19	356.79	-1.42	-105.61
C[C@@]1(CNC(=O)C2=CC(=O)C=C(Cl)N2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838199	0	41	-2.0	-94.54	360.43	1.75	-92.79
C[C@@]1(CNC(=O)C2=CC(=O)C=C(Cl)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838199	1	41	-2.0	-94.54	360.43	1.75	-92.79
C[C@@]1(CNC(=O)C2=CC(=O)N([O-])C=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838224	0	42	-2.0	-108.83	353.03	2.52	-106.31
C[C@@]1(CNC(=O)C2=CC=CC(=O)N2[O-])CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838289	0	42	-2.0	-109.54	347.42	2.54	-107.00
C[C@@]1(CNC(=O)CC2=C([O-])N=C(N)S2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838474	0	43	-2.0	-108.75	372.32	-2.36	-111.11
C[C@@]1(CNC(=O)CC2=NC([O-])=CS2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838540	0	41	-2.0	-107.90	356.55	-1.60	-109.50
CCC1=NC=C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030838567	0	46	-2.0	-106.73	364.10	2.25	-104.48
CCC1=NC=C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030838567	1	46	-2.0	-106.73	364.10	2.25	-104.48
C[C@@]1(CNC(=O)C2=C(Cl)C(=O)[N-]S2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838665	0	38	-2.0	-96.40	348.46	-0.11	-96.51
COCC1=NC=C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030838784	1	47	-2.0	-107.03	377.03	0.49	-106.54
CC1=CC(=O)C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030838891	0	43	-2.0	-103.97	359.00	2.27	-101.70
C[C@@]1(CNC(=O)C2=NC(=O)N[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838910	0	38	-2.0	-99.06	324.87	-2.83	-101.89
C[C@@]1(CNC(=O)C2=C[N-]C(=O)C([N+](=O)[O-])=C2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030838936	1	43	-2.0	-93.90	367.23	1.47	-92.43
C[C@@]1(CNC(=O)C2=CN=C(C=N[O-])S2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839084	0	41	-2.0	-103.98	365.42	0.04	-103.94
COC1=NC(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030839105	0	44	-2.0	-98.87	370.72	-3.54	-102.41
CN1[N-]C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030839337	0	42	-2.0	-100.68	353.01	0.17	-100.51
C[C@@]1(CNC(=O)C2=CC=CC3=C2C(=O)[N-]C3=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839347	1	45	-2.0	-110.53	375.54	0.58	-109.95
C[C@@]1(CNC(=O)CSC2=NNC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839350	0	42	-2.0	-97.21	366.97	-1.72	-98.93
CC1=C(C(=O)NC[C@]2(C)CCCN2C(=O)C2=CC(=O)[N-]O2)C(=S)[N-]C(=O)N1	REAL300030839351	1	44	-2.0	-127.04	381.28	-0.35	-127.39
C[C@@]1(CNC(=O)C2=NC(=O)[N-]C(=O)N2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839580	0	40	-2.0	-99.72	343.40	-4.60	-104.32
C[C@@]1(CNC(=O)C2=NC(=O)NC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839580	1	40	-2.0	-95.19	344.10	-3.81	-99.00
C[C@@]1(CNC(=O)COC2=NC(=O)[N-]C(=O)N2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839659	0	44	-2.0	-100.70	377.17	-5.39	-106.09
C[C@@]1(CNC(=O)COC2=NC(=O)NC(=O)[N-]2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839659	1	44	-2.0	-93.63	376.83	-5.34	-98.97
C[C@@]1(CNC(=O)CN2[N-]C(=O)C=CC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030839812	0	44	-2.0	-106.26	372.15	-0.95	-107.21
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC=CC=C1[O-]	REAL300030840069	1	41	-2.0	-111.40	341.93	2.42	-108.98
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCN1C=C[N-]C(=O)C1=O	REAL300030840185	1	47	-2.0	-111.00	395.16	0.88	-110.12
CC(=O)[N-]C1=NC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=CS1	REAL300030840197	1	44	-2.0	-93.11	380.15	0.66	-92.45
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NNC(=O)[N-]C1=O	REAL300030840225	0	40	-2.0	-101.11	342.14	-3.30	-104.41
COC1=C(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)NC(=O)[N-]C1=O	REAL300030840274	1	45	-2.0	-105.43	371.38	-1.91	-107.34
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1C(=O)[N-]NC1=O	REAL300030840434	0	42	-2.0	-101.82	359.24	-1.74	-103.56
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCCN1C(=O)[N-]NC1=O	REAL300030841352	0	48	-2.0	-98.77	401.75	-0.53	-99.30
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=C(C2CC2)[N-]C1=O	REAL300030841553	1	47	-2.0	-104.51	384.51	1.77	-102.74
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CCC1=NNC(=O)[N-]C1=O	REAL300030842325	0	46	-2.0	-96.77	389.52	-3.25	-100.02
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300030842333	0	44	-2.0	-106.48	367.96	4.00	-102.48
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(Cl)=CC=C1[O-]	REAL300030842347	1	42	-2.0	-116.21	357.05	4.01	-112.20
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300030842378	1	43	-2.0	-95.17	362.85	2.53	-92.64
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(N)C(Cl)=C1[O-]	REAL300030842404	0	44	-2.0	-122.27	368.88	2.00	-120.27
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300030842455	0	44	-2.0	-127.89	366.33	4.82	-123.07
CCC1=NC=C(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030842484	1	46	-2.0	-102.59	373.58	1.13	-101.46
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=COC(=O)[N-]1	REAL300030842505	1	38	-2.0	-95.86	325.17	-1.28	-97.14
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C[N-]C(=O)C(F)(F)F	REAL300030842606	0	41	-2.0	-95.21	363.79	-1.45	-96.66
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=C([O-])N=C(N)S1	REAL300030842607	0	43	-2.0	-123.47	374.99	-2.28	-125.75
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C=C1F	REAL300030842634	1	42	-2.0	-105.32	347.01	2.29	-103.03
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CC(=O)O1	REAL300030842643	0	41	-2.0	-96.43	350.89	1.31	-95.12
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300030842653	1	43	-2.0	-114.73	361.42	2.45	-112.28
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(Cl)=NC=C1[O-]	REAL300030842659	0	41	-2.0	-112.17	352.17	2.14	-110.03
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C(N)[N-]C(=O)C(C#N)=C1	REAL300030842662	0	44	-2.0	-100.04	377.65	-0.50	-100.54
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1N=CC(=O)[N-]C1=O	REAL300030842678	0	43	-2.0	-111.09	369.67	-2.88	-113.97
CC1=CC=C([O-])C(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=N1	REAL300030842764	1	44	-2.0	-112.52	363.56	2.99	-109.53
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C[N-]N=CC1=O	REAL300030842788	0	40	-2.0	-95.14	331.91	0.83	-94.31
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC(F)=C1[O-]	REAL300030842799	0	42	-2.0	-126.11	346.55	3.57	-122.54
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC([O-])=C1F	REAL300030842916	1	42	-2.0	-121.93	346.86	2.28	-119.65
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300030842987	0	44	-2.0	-115.57	367.25	3.83	-111.74
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)N[N-]1	REAL300030843050	0	39	-2.0	-96.46	330.59	-1.14	-97.60
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(=O)[PH](C)(C)[O-]	REAL300030843057	0	44	-2.0	-92.06	364.27	0.07	-91.99
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(=O)C=C([O-])C1=CC=CC=N1	REAL300030843084	0	47	-2.0	-112.86	398.18	3.46	-109.40
COCC1=NC=C(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030843117	0	47	-2.0	-103.71	386.51	-0.63	-104.34
COCC1=NC=C(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030843117	1	47	-2.0	-103.71	386.51	-0.63	-104.34
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)N([O-])C=C1	REAL300030843170	0	42	-2.0	-118.46	347.92	2.73	-115.73
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL300030843203	0	42	-2.0	-112.18	359.33	2.40	-109.78
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC(=O)N[N-]1	REAL300030843205	0	38	-2.0	-96.88	324.84	-1.95	-98.83
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CN([O-])C1=O	REAL300030843217	0	42	-2.0	-113.35	349.20	2.83	-110.52
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=CC=C1O	REAL300030843423	0	42	-2.0	-115.24	346.73	3.57	-111.67
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=CC=C1[O-]	REAL300030843423	1	42	-2.0	-115.24	346.73	3.57	-111.67
CC1=CC=NC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=C1O	REAL300030843508	0	44	-2.0	-108.76	362.86	3.18	-105.58
CC1=CC=NC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300030843508	1	44	-2.0	-108.76	362.86	3.18	-105.58
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(Cl)C(F)=C1[O-]	REAL300030843564	0	42	-2.0	-121.47	362.69	4.07	-117.40
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=CC(O)=C1	REAL300030843676	0	41	-2.0	-112.13	336.34	0.18	-111.95
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=CC([O-])=C1	REAL300030843676	1	41	-2.0	-112.13	336.34	0.18	-111.95
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC(=S)N1[O-]	REAL300030843688	0	42	-2.0	-118.81	361.99	3.50	-115.31
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(N)=C(Cl)C(O)=C1	REAL300030843841	0	44	-2.0	-98.97	370.64	0.65	-98.32
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(N)=C(Cl)C([O-])=C1	REAL300030843841	1	44	-2.0	-98.97	370.64	0.65	-98.32
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C(Cl)=N1	REAL300030843845	0	41	-2.0	-92.38	360.30	1.36	-91.02
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C=C1Cl	REAL300030843908	1	42	-2.0	-102.84	355.19	2.72	-100.12
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(C#N)=C(N)C=C1[O-]	REAL300030843910	0	45	-2.0	-113.39	374.02	1.77	-111.62
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=NC([O-])=CS1	REAL300030843920	0	41	-2.0	-118.64	360.17	-1.40	-120.04
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CN1[N-]C(=O)C=CC1=O	REAL300030843943	0	44	-2.0	-102.21	375.44	-0.78	-102.99
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(F)C=C1[O-]	REAL300030843946	0	42	-2.0	-119.36	346.73	3.57	-115.79
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1SC(=O)[N-]C1=O	REAL300030844065	0	42	-2.0	-97.48	367.43	-2.18	-99.66
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C(F)=C1F	REAL300030844092	0	42	-2.0	-107.80	353.10	2.36	-105.44
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([N+](=O)[O-])=C[N-]C1=O	REAL300030844095	1	43	-2.0	-95.26	366.99	0.87	-94.39
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC(Cl)=C1[O-]	REAL300030844100	0	42	-2.0	-119.86	356.35	4.04	-115.82
CC1=CC(=O)C(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030844133	0	43	-2.0	-100.95	359.38	2.59	-98.36
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C=C([O-])C1=CC=C(O)C=C1	REAL300030844138	0	47	-2.0	-114.19	390.71	2.12	-112.07
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=CC(=O)N1[O-]	REAL300030844166	0	42	-2.0	-117.31	350.90	2.79	-114.52
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(C#N)[N-]C1=O	REAL300030844202	0	42	-2.0	-95.87	358.55	0.62	-95.25
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)COC1=NC(=O)[N-]C(=O)N1	REAL300030844203	0	44	-2.0	-98.46	380.37	-5.23	-103.69
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)COC1=NC(=O)NC(=O)[N-]1	REAL300030844203	1	44	-2.0	-93.61	380.50	-5.18	-98.79
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CC=C1[N+](=O)[O-]	REAL300030844232	0	44	-2.0	-98.32	370.38	3.57	-94.75
CN1N=C(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)[N-]C1=O	REAL300030844272	0	41	-2.0	-104.88	347.58	-1.03	-105.91
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300030844306	0	44	-2.0	-102.05	369.83	0.02	-102.03
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(C#N)=CC=C1[O-]	REAL300030844348	0	43	-2.0	-111.14	361.17	3.91	-107.23
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN([O-])C(=O)NC1=O	REAL300030844469	0	42	-2.0	-101.79	353.71	0.31	-101.48
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300030844506	0	42	-2.0	-112.33	362.82	4.06	-108.27
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(F)C([O-])=C1	REAL300030844533	1	42	-2.0	-120.15	347.48	2.07	-118.08
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C([O-])C2=NC=CC=C2C=C1	REAL300030844541	1	47	-2.0	-132.28	381.12	3.97	-128.31
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300030844545	0	44	-2.0	-116.04	368.48	4.17	-111.87
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300030844548	0	44	-2.0	-106.57	368.49	4.17	-102.40
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(Cl)C=C1[O-]	REAL300030844559	1	42	-2.0	-119.10	357.05	4.02	-115.08
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300030844573	0	44	-2.0	-95.78	370.11	2.82	-92.96
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300030844645	0	40	-2.0	-98.05	343.70	-3.60	-101.65
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300030844645	1	40	-2.0	-93.26	344.31	-2.84	-96.10
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C2N=NN([O-])C2=C1	REAL300030844672	0	44	-2.0	-116.68	365.35	1.17	-115.51
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=N1	REAL300030844709	1	47	-2.0	-114.25	387.77	4.82	-109.43
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C(Cl)C(=O)[N-]S1	REAL300030844710	0	38	-2.0	-99.13	345.75	-0.54	-99.67
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=C(N)[N-]C1=O	REAL300030844729	1	42	-2.0	-102.90	347.07	-0.51	-103.41
CC1=C(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)[N-]C(=O)C(C#N)=C1	REAL300030844760	0	45	-2.0	-92.09	379.84	2.10	-89.99
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(F)C([O-])=C1F	REAL300030844780	0	42	-2.0	-120.88	353.05	2.35	-118.53
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300030844837	0	42	-2.0	-102.27	363.53	2.67	-99.60
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300030844841	1	43	-2.0	-97.20	362.23	1.69	-95.51
COC1=NC(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030844847	0	44	-2.0	-99.58	367.52	-2.69	-102.27
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C2N[N-]N=C2C1=O	REAL300030844849	0	44	-2.0	-99.03	364.08	0.96	-98.07
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=NC=CC(Cl)=C1[O-]	REAL300030844857	0	41	-2.0	-107.28	358.13	2.93	-104.35
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC=C([O-])C(Cl)=C1	REAL300030844863	1	45	-2.0	-104.67	391.16	3.43	-101.24
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C(Cl)C([O-])=C1	REAL300030844896	0	42	-2.0	-115.83	357.29	2.56	-113.27
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=NC=C1[O-]	REAL300030844906	0	41	-2.0	-119.28	335.30	1.70	-117.58
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030844913	0	38	-2.0	-100.95	325.02	-1.05	-102.00
CC1=C([O-])N=C(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)S1	REAL300030844947	1	41	-2.0	-102.46	357.38	-0.47	-102.93
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300030845015	1	48	-2.0	-125.50	385.35	5.83	-119.67
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC2=CC=CC=C2C=C1[O-]	REAL300030845023	1	48	-2.0	-130.37	386.46	5.77	-124.60
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300030845066	1	44	-2.0	-95.99	367.33	2.00	-93.99
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN=C(C=N[O-])S1	REAL300030845096	0	41	-2.0	-111.47	359.66	0.23	-111.24
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300030845126	1	41	-2.0	-92.90	360.52	2.42	-90.48
CSC1=NC=C(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030845150	1	44	-2.0	-103.10	375.02	0.66	-102.44
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(=O)NC([O-])=C1	REAL300030845158	0	42	-2.0	-99.91	348.14	-2.17	-102.08
CCN1[N-]C(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030845235	0	45	-2.0	-101.75	374.63	1.47	-100.28
CN1[N-]C(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030845253	0	42	-2.0	-99.36	353.44	0.58	-98.78
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CSC1=NNC(=O)[N-]1	REAL300030845268	0	42	-2.0	-97.49	370.43	-1.47	-98.96
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)CC1=CC(=O)N[N-]1	REAL300030845417	1	42	-2.0	-104.84	354.15	-0.67	-105.51
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=C([O-])C(F)=C1	REAL300030845424	1	42	-2.0	-107.65	347.44	2.11	-105.54
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300030845477	0	42	-2.0	-103.68	354.40	2.32	-101.36
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC=NC(Cl)=C1[O-]	REAL300030845482	0	41	-2.0	-117.24	351.55	2.13	-115.11
CC1=C(CC(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300030845499	0	48	-2.0	-101.48	397.11	1.73	-99.75
CC1=CN=C(C(=O)N2CCC[C@@]2(C)CNC(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030845545	1	44	-2.0	-113.22	363.40	3.05	-110.17
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC([O-])=CS1	REAL300030845576	0	39	-2.0	-116.62	333.33	1.07	-115.55
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CN([O-])C(=O)C=C1	REAL300030845596	0	42	-2.0	-121.34	346.84	2.57	-118.77
C[C@@]1(CNC(=O)C2=CC(=O)[N-]O2)CCCN1C(=O)C1=CC(F)=CC(Cl)=C1[O-]	REAL300030845602	0	42	-2.0	-111.72	362.75	4.10	-107.62
C[C@@]1(CNC(=O)C2=CN([O-])C(=O)NC2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030845646	0	42	-2.0	-98.87	343.96	1.54	-97.33
C[C@@]1(CNC(=O)C2=CC([N+](=O)[O-])=C[N-]C2=O)CCCN1C(=O)C1=CC(=O)[N-]O1	REAL300030845681	1	43	-2.0	-95.09	354.53	2.09	-93.00
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNC(=O)[N-]C1=O	REAL300030846948	0	41	-2.0	-94.67	341.24	-4.33	-99.00
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1C(=O)[N-]NC1=O	REAL300030847034	0	43	-2.0	-98.85	357.79	-2.80	-101.65
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN([O-])C(=O)C=C1	REAL300030847648	0	43	-2.0	-104.85	350.68	1.24	-103.61
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)NC([O-])=C1	REAL300030847764	0	43	-2.0	-86.80	348.95	-3.87	-90.67
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=COC(=O)[N-]1	REAL300030847775	1	39	-2.0	-84.28	323.42	-2.26	-86.54
CCN1[N-]C(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030847947	0	46	-2.0	-91.65	374.20	0.42	-91.23
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=CC(=O)N[N-]1	REAL300030847955	1	43	-2.0	-100.14	352.85	-1.71	-101.85
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CC(=S)N1[O-]	REAL300030847973	0	43	-2.0	-104.25	363.96	2.89	-101.36
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1SC(=O)[N-]C1=O	REAL300030847982	0	43	-2.0	-86.55	365.58	-3.34	-89.89
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NN(C)C(=O)[N-]1	REAL300030847998	0	42	-2.0	-94.71	347.10	-2.07	-96.78
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=C[N-]N=CC1=O	REAL300030848088	0	41	-2.0	-88.91	341.64	-0.03	-88.94
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)N[N-]1	REAL300030848194	0	40	-2.0	-87.66	329.65	-2.22	-89.88
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C(=O)[PH](C)(C)[O-]	REAL300030848199	0	45	-2.0	-88.51	363.63	-0.67	-89.18
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1=NC(=O)NN1	REAL300030848227	0	45	-2.0	-95.17	367.74	-2.82	-97.99
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CCC1=NC(=O)[N-]N1	REAL300030848227	1	45	-2.0	-95.17	367.74	-2.82	-97.99
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CN([O-])C1=O	REAL300030848231	0	43	-2.0	-112.46	357.69	2.06	-110.40
CC1SC(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)=NC1=O	REAL300030848259	0	42	-2.0	-90.25	355.51	-1.44	-91.69
CC1=C([O-])N=C(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)S1	REAL300030848259	1	42	-2.0	-90.25	355.51	-1.44	-91.69
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)C=C(Cl)N1	REAL300030848273	0	42	-2.0	-83.19	359.12	1.49	-81.70
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)C=C(Cl)[N-]1	REAL300030848273	1	42	-2.0	-83.19	359.12	1.49	-81.70
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)N([O-])C=C1	REAL300030848290	0	43	-2.0	-104.55	351.01	1.23	-103.32
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC=CC(=O)N1[O-]	REAL300030848325	0	43	-2.0	-101.93	352.87	2.11	-99.82
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=C([O-])N=C(N)S1	REAL300030848452	0	44	-2.0	-106.51	373.38	-3.30	-109.81
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CC1=NC([O-])=CS1	REAL300030848500	0	42	-2.0	-108.45	358.71	-2.43	-110.88
CCC1=NC=C(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)N1	REAL300030848518	0	47	-2.0	-95.88	358.39	-0.12	-96.00
CCC1=NC=C(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030848518	1	47	-2.0	-95.88	358.39	-0.12	-96.00
CC1=CC(=O)C(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030848738	0	44	-2.0	-92.19	357.72	1.58	-90.61
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NNC(=O)[N-]1	REAL300030848753	0	39	-2.0	-91.59	324.34	-3.74	-95.33
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN=C(C=N[O-])S1	REAL300030848868	0	42	-2.0	-100.30	362.85	-1.38	-101.68
COC1=NC(C(=O)N(C)CC2COCCN2C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030848882	0	45	-2.0	-92.22	368.78	-3.58	-95.80
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)N(C)[N-]1	REAL300030849038	0	43	-2.0	-89.72	351.61	-0.49	-90.21
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CSC1=NNC(=O)[N-]1	REAL300030849045	0	43	-2.0	-91.99	369.16	-2.48	-94.47
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC(=O)[N-]C(=O)N1	REAL300030849205	0	41	-2.0	-85.75	342.79	-4.58	-90.33
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=NC(=O)NC(=O)[N-]1	REAL300030849205	1	41	-2.0	-82.44	344.29	-3.62	-86.06
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)CN1[N-]C(=O)C=CC1=O	REAL300030849350	0	45	-2.0	-98.75	373.89	-1.90	-100.65
CN(CC1COCCN1C(=O)C1=NC=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030849603	1	42	-2.0	-102.47	341.93	1.39	-101.08
CN(CC1COCCN1C(=O)C1=NNC(=O)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030849718	0	41	-2.0	-93.89	338.90	-4.61	-98.50
CN(CC1COCCN1C(=O)CN1C(=O)[N-]NC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030849861	0	43	-2.0	-94.64	358.18	-2.82	-97.46
CN(CC1COCCN1C(=O)C1=CC(Cl)=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030851023	1	43	-2.0	-98.82	361.93	2.37	-96.45
CN(CC1COCCN1C(=O)C1=CC([O-])=CC(C#N)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030851046	1	44	-2.0	-83.13	368.36	1.21	-81.92
CCC1=NC=C(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)[N-]1	REAL300030851115	1	47	-2.0	-95.27	382.29	0.20	-95.07
CN(CC1COCCN1C(=O)C1=COC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030851131	1	39	-2.0	-86.25	325.03	-2.03	-88.28
CN(CC1COCCN1C(=O)C[N-]C(=O)C(F)(F)F)C(=O)C1=CC(=O)[N-]O1	REAL300030851197	0	42	-2.0	-88.31	360.85	-2.66	-90.97
CN(CC1COCCN1C(=O)CC1=C([O-])N=C(N)S1)C(=O)C1=CC(=O)[N-]O1	REAL300030851198	0	44	-2.0	-112.51	374.60	-3.33	-115.84
CN(CC1COCCN1C(=O)C1=CC=C([O-])C=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300030851218	1	43	-2.0	-90.47	350.26	0.71	-89.76
CN(CC1COCCN1C(=O)C1=CC([O-])=CC(=O)O1)C(=O)C1=CC(=O)[N-]O1	REAL300030851224	0	42	-2.0	-86.38	350.25	0.04	-86.34
CN(CC1COCCN1C(=O)C1=CC=C(C#N)C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030851230	1	44	-2.0	-88.02	368.05	1.19	-86.83
CN(CC1COCCN1C(=O)C1=CC(Cl)=NC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030851233	0	42	-2.0	-96.88	357.71	0.57	-96.31
CN(CC1COCCN1C(=O)CN1N=CC(=O)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030851247	0	44	-2.0	-103.93	369.35	-3.93	-107.86
CC1=CC=C([O-])C(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)=N1	REAL300030851303	1	45	-2.0	-105.07	360.99	1.77	-103.30
CN(CC1COCCN1C(=O)CCC1=NC(=O)[N-]N1)C(=O)C1=CC(=O)[N-]O1	REAL300030851304	1	45	-2.0	-96.56	368.43	-2.65	-99.21
CN(CC1COCCN1C(=O)C1=C[N-]N=CC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030851320	0	41	-2.0	-87.25	341.28	-0.23	-87.48
CN(CC1COCCN1C(=O)C1=CC=CC(F)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030851327	0	43	-2.0	-108.27	351.44	1.92	-106.35
CN(CC1COCCN1C(=O)C1=CC=CC([O-])=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300030851405	1	43	-2.0	-104.01	350.14	0.70	-103.31
CN(CC1COCCN1C(=O)C1=CC(=O)N[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030851492	0	40	-2.0	-87.17	327.11	-2.30	-89.47
CN(CC1COCCN1C(=O)C(=O)[PH](C)(C)[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030851497	0	45	-2.0	-84.29	362.84	-1.18	-85.47
CN(CC1COCCN1C(=O)C1=CC(=O)N([O-])C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030851577	0	43	-2.0	-104.40	351.02	1.23	-103.17
CN(CC1COCCN1C(=O)C1=NC(=O)N[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030851602	0	39	-2.0	-85.47	323.00	-2.86	-88.33
CN(CC1COCCN1C(=O)C1=CC=CN([O-])C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030851607	0	43	-2.0	-109.04	357.42	1.86	-107.18
CN(CC1COCCN1C(=O)C1=CC(F)=CC=C1O)C(=O)C1=CC(=O)[N-]O1	REAL300030851747	0	43	-2.0	-98.10	351.62	1.90	-96.20
CN(CC1COCCN1C(=O)C1=CC(F)=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030851747	1	43	-2.0	-98.10	351.62	1.90	-96.20
CC1=CC=NC(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)=C1O	REAL300030851806	0	45	-2.0	-104.30	359.74	1.88	-102.42
CC1=CC=NC(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)=C1[O-]	REAL300030851806	1	45	-2.0	-104.30	359.74	1.88	-102.42
CN(CC1COCCN1C(=O)C1=CN=CC([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030851901	1	42	-2.0	-93.99	339.92	-1.20	-95.19
CN(CC1COCCN1C(=O)C1=CC=CC(=S)N1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030851911	0	43	-2.0	-126.07	360.17	2.86	-123.21
CN(CC1COCCN1C(=O)C1=CC=C([O-])C(Cl)=N1)C(=O)C1=CC(=O)[N-]O1	REAL300030852011	0	42	-2.0	-83.48	360.29	0.41	-83.07
CN(CC1COCCN1C(=O)C1=CC=C([O-])C=C1Cl)C(=O)C1=CC(=O)[N-]O1	REAL300030852050	1	43	-2.0	-89.04	358.46	1.15	-87.89
CN(CC1COCCN1C(=O)CC1=NC([O-])=CS1)C(=O)C1=CC(=O)[N-]O1	REAL300030852057	0	42	-2.0	-114.16	358.26	-2.55	-116.71
CN(CC1COCCN1C(=O)CN1[N-]C(=O)C=CC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030852071	0	45	-2.0	-95.37	375.02	-1.85	-97.22
CN(CC1COCCN1C(=O)C1=CC=C(F)C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030852072	0	43	-2.0	-101.75	350.00	1.97	-99.78
CN(CC1COCCN1C(=O)CC1SC(=O)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030852154	0	43	-2.0	-90.53	364.56	-3.36	-93.89
CN(CC1COCCN1C(=O)C1=CC=C([O-])C(F)=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300030852174	0	43	-2.0	-92.81	357.81	0.83	-91.98
CN(CC1COCCN1C(=O)C1=CC=CC(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030852180	0	43	-2.0	-102.61	359.64	2.43	-100.18
CC1=CC(=O)C(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030852204	0	44	-2.0	-91.84	358.53	1.48	-90.36
CN(CC1COCCN1C(=O)C1=CC=CC(=O)N1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030852223	0	43	-2.0	-122.27	349.07	1.89	-120.38
CN(CC1COCCN1C(=O)C1=CC=C(C#N)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030852244	0	43	-2.0	-89.78	367.09	-0.29	-90.07
CN(CC1COCCN1C(=O)C1=NN(C)C(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030852287	0	42	-2.0	-94.32	344.90	-2.09	-96.41
CN(CC1COCCN1C(=O)C1=CC(C#N)=CC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030852337	0	44	-2.0	-95.23	366.03	2.27	-92.96
CN(CC1COCCN1C(=O)C1=CN([O-])C(=O)NC1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030852415	0	43	-2.0	-92.54	362.52	-0.67	-93.21
CN(CC1COCCN1C(=O)C1=CC=C(F)C(O)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030852459	0	43	-2.0	-91.45	354.09	0.81	-90.64
CN(CC1COCCN1C(=O)C1=CC=C(F)C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030852459	1	43	-2.0	-91.45	354.09	0.81	-90.64
CN(CC1COCCN1C(=O)C1=CC=C(Cl)C=C1O)C(=O)C1=CC(=O)[N-]O1	REAL300030852474	0	43	-2.0	-101.49	360.31	2.43	-99.06
CN(CC1COCCN1C(=O)C1=CC=C(Cl)C=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030852474	1	43	-2.0	-101.49	360.31	2.43	-99.06
CN(CC1COCCN1C(=O)C1=NC(=O)[N-]C(=O)N1)C(=O)C1=CC(=O)[N-]O1	REAL300030852532	0	41	-2.0	-85.67	340.65	-4.72	-90.39
CN(CC1COCCN1C(=O)C1=NC(=O)NC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030852532	1	41	-2.0	-82.43	341.23	-3.95	-86.38
CN(CC1COCCN1C(=O)C1=CN=C(N)[N-]C1=O)C(=O)C1=CC(=O)[N-]O1	REAL300030852578	1	43	-2.0	-95.64	355.61	-1.42	-97.06
CN(CC1COCCN1C(=O)C1=CC=C(F)C([O-])=C1F)C(=O)C1=CC(=O)[N-]O1	REAL300030852609	0	43	-2.0	-103.46	357.77	0.79	-102.67
COC1=NC(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)=CC(=O)[N-]1	REAL300030852650	0	45	-2.0	-91.51	365.54	-3.75	-95.26
CN(CC1COCCN1C(=O)C1=NC=CC(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030852656	0	42	-2.0	-98.39	358.24	1.95	-96.44
CN(CC1COCCN1C(=O)C1=CC=C(Cl)C([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030852687	0	43	-2.0	-87.94	363.89	1.29	-86.65
CN(CC1COCCN1C(=O)C1=CC=NC=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030852695	0	42	-2.0	-104.01	340.86	0.13	-103.88
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CC(=O)[N-]O1	REAL300030852700	0	39	-2.0	-90.16	324.65	-2.12	-92.28
CC1=C([O-])N=C(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)S1	REAL300030852719	1	42	-2.0	-89.75	356.48	-1.30	-91.05
CN(CC1COCCN1C(=O)C(=O)C1=CC=C([O-])C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030852803	1	45	-2.0	-88.08	376.16	0.85	-87.23
CN(CC1COCCN1C(=O)C1=CN=C(C=N[O-])S1)C(=O)C1=CC(=O)[N-]O1	REAL300030852820	0	42	-2.0	-98.74	365.48	-1.12	-99.86
CN(CC1COCCN1C(=O)C1=CC(=O)C=C(Cl)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030852838	1	42	-2.0	-83.79	357.55	1.19	-82.60
CN(CC1COCCN1C(=O)C1=CC(=O)NC([O-])=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030852856	0	43	-2.0	-84.69	353.56	-3.64	-88.33
CCN1[N-]C(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030852913	0	46	-2.0	-90.85	371.65	0.35	-90.50
CN(CC1COCCN1C(=O)C1=CC(=O)N(C)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030852927	0	43	-2.0	-89.94	349.85	-0.60	-90.54
CN(CC1COCCN1C(=O)CSC1=NNC(=O)[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030852936	0	43	-2.0	-92.67	369.95	-2.47	-95.14
CN(CC1COCCN1C(=O)CC1=CC(=O)N[N-]1)C(=O)C1=CC(=O)[N-]O1	REAL300030853040	1	43	-2.0	-98.26	353.90	-1.75	-100.01
CN(CC1COCCN1C(=O)C1=CC=C([O-])C(F)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030853045	1	43	-2.0	-90.67	354.06	0.86	-89.81
CN(CC1COCCN1C(=O)C1=CC(F)=C([O-])C(F)=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030853082	0	43	-2.0	-90.35	358.06	0.81	-89.54
CN(CC1COCCN1C(=O)C1=CC=NC(Cl)=C1[O-])C(=O)C1=CC(=O)[N-]O1	REAL300030853086	0	42	-2.0	-99.73	356.61	0.46	-99.27
CC1=C(CC(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C(=O)N(C)[N-]1	REAL300030853100	0	49	-2.0	-96.81	395.99	0.70	-96.11
CC1=CN=C(C(=O)N2CCOCC2CN(C)C(=O)C2=CC(=O)[N-]O2)C([O-])=C1	REAL300030853135	1	45	-2.0	-104.90	362.95	2.02	-102.88
CN(CC1COCCN1C(=O)C1=CC([O-])=CS1)C(=O)C1=CC(=O)[N-]O1	REAL300030853155	0	40	-2.0	-97.53	339.64	-0.18	-97.71
CN(CC1COCCN1C(=O)C1=CN([O-])C(=O)C=C1)C(=O)C1=CC(=O)[N-]O1	REAL300030853168	0	43	-2.0	-104.95	350.66	1.22	-103.73
CN(CC1COCCN1C(=O)C1=CC(=O)[N-]O1)C(=O)C1=CN([O-])C(=O)NC1=O	REAL300030853193	0	43	-2.0	-90.44	358.95	-0.67	-91.11
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=CN=C(C2CC2)[N-]C1=O	REAL300030853675	1	48	-2.0	-85.27	398.29	1.49	-83.78
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=NNC(=O)[N-]C1=O	REAL300030854642	0	41	-2.0	-92.11	353.86	-3.74	-95.85
O=C(CN1C(=O)[N-]NC1=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030854744	0	43	-2.0	-94.81	367.98	-2.10	-96.91
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=CN([O-])C(=O)C=C1	REAL300030855451	0	43	-2.0	-105.70	364.94	2.38	-103.32
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=CC(=O)NC([O-])=C1	REAL300030855582	0	43	-2.0	-86.65	365.40	-2.52	-89.17
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=COC(=O)[N-]1	REAL300030855593	1	39	-2.0	-86.07	337.49	-2.68	-88.75
O=C([N-]CC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C(F)(F)C(F)(F)F	REAL300030855696	1	38	-2.0	-79.56	343.59	0.67	-78.89
CCN1[N-]C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)=CC1=O	REAL300030855786	0	46	-2.0	-89.72	386.85	0.95	-88.77
O=C(CC1=CC(=O)N[N-]1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855794	1	43	-2.0	-97.94	362.97	-1.06	-99.00
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=CC=CC(=S)N1[O-]	REAL300030855814	0	43	-2.0	-124.39	373.56	4.43	-119.96
O=C(CC1SC(=O)[N-]C1=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030855825	0	43	-2.0	-88.61	376.08	-2.55	-91.16
CN1N=C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)[N-]C1=O	REAL300030855842	0	42	-2.0	-93.06	359.63	-1.49	-94.55
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=C[N-]N=CC1=O	REAL300030855939	0	41	-2.0	-78.10	346.52	0.48	-77.62
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=CC=C2N=NN([O-])C2=C1	REAL300030855975	0	45	-2.0	-103.50	381.50	0.90	-102.60
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=CC(=O)N[N-]1	REAL300030856060	0	40	-2.0	-86.39	342.30	-1.69	-88.08
C[PH](C)([O-])C(=O)C(=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856065	0	45	-2.0	-85.48	375.22	-0.35	-85.83
O=C(CCC1=NC(=O)NN1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856097	0	45	-2.0	-98.61	378.23	-2.02	-100.63
O=C(CCC1=NC(=O)[N-]N1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856097	1	45	-2.0	-98.61	378.23	-2.02	-100.63
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=CC=CN([O-])C1=O	REAL300030856102	0	43	-2.0	-96.11	362.53	2.56	-93.55
CC1SC(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)=NC1=O	REAL300030856137	0	42	-2.0	-92.52	368.84	-1.55	-94.07
CC1=C([O-])N=C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)S1	REAL300030856137	1	42	-2.0	-92.52	368.84	-1.55	-94.07
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=CC(=O)C=C(Cl)N1	REAL300030856151	0	42	-2.0	-83.30	372.45	1.61	-81.69
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=CC(=O)C=C(Cl)[N-]1	REAL300030856151	1	42	-2.0	-83.30	372.45	1.61	-81.69
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=CC(=O)N([O-])C=C1	REAL300030856171	0	43	-2.0	-106.06	365.31	2.38	-103.68
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=CC=CC(=O)N1[O-]	REAL300030856214	0	43	-2.0	-120.19	362.45	3.40	-116.79
NC1=NC([O-])=C(CC(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)S1	REAL300030856353	0	44	-2.0	-105.02	383.64	-2.64	-107.66
O=C(CC1=NC([O-])=CS1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030856405	0	42	-2.0	-108.32	368.82	-1.77	-110.09
CCC1=NC=C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C(=O)N1	REAL300030856426	0	47	-2.0	-83.66	387.46	0.83	-82.83
CCC1=NC=C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)C(=O)[N-]1	REAL300030856426	1	47	-2.0	-83.66	387.46	0.83	-82.83
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=C(Cl)C(=O)[N-]S1	REAL300030856502	0	39	-2.0	-88.22	359.86	-0.39	-88.61
CC1=CC(=O)C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)=N[N-]1	REAL300030856677	0	44	-2.0	-89.89	371.02	2.11	-87.78
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=NC(=O)N[N-]1	REAL300030856693	0	39	-2.0	-86.19	336.89	-2.98	-89.17
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=CN=C(C=N[O-])S1	REAL300030856827	0	42	-2.0	-100.48	377.68	-0.10	-100.58
CN1[N-]C(C(=O)NCC2CCN(C(=O)C3=CC(=O)[N-]O3)C23CC3)=CC1=O	REAL300030857022	0	43	-2.0	-89.02	365.12	0.02	-89.00
O=C(CSC1=NNC(=O)[N-]1)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857030	0	43	-2.0	-93.16	379.15	-1.81	-94.97
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=NC(=O)[N-]C(=O)N1	REAL300030857205	0	41	-2.0	-89.68	355.42	-4.74	-94.42
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=NC(=O)NC(=O)[N-]1	REAL300030857205	1	41	-2.0	-83.47	356.08	-3.99	-87.46
O=C(CN1[N-]C(=O)C=CC1=O)NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857374	0	45	-2.0	-95.12	384.09	-1.11	-96.23
O=C(NCC1CCN(C(=O)C2=NC=CC=C2[O-])C12CC2)C1=CC(=O)[N-]O1	REAL300030857628	1	42	-2.0	-101.38	353.94	2.24	-99.14
O=C(NCC1CCN(C(=O)C2=NNC(=O)[N-]C2=O)C12CC2)C1=CC(=O)[N-]O1	REAL300030857752	0	41	-2.0	-92.51	353.52	-3.53	-96.04
O=C(CN1C(=O)[N-]NC1=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030857917	0	43	-2.0	-94.71	370.78	-1.93	-96.64
O=C(NCC1CCN(C(=O)C2=CN=C(C3CC3)[N-]C2=O)C12CC2)C1=CC(=O)[N-]O1	REAL300030858735	1	48	-2.0	-91.17	402.73	1.04	-90.13
O=C(NCC1CCN(C(=O)C2=CC(Cl)=CC=C2[O-])C12CC2)C1=CC(=O)[N-]O1	REAL300030859297	1	43	-2.0	-98.74	374.76	3.27	-95.47
N#CC1=CC([O-])=CC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)=C1	REAL300030859322	1	44	-2.0	-84.64	378.64	1.88	-82.76
CCC1=NC=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C(=O)[N-]1	REAL300030859401	1	47	-2.0	-97.45	397.21	0.59	-96.86
O=C(NCC1CCN(C(=O)C2=COC(=O)[N-]2)C12CC2)C1=CC(=O)[N-]O1	REAL300030859418	1	39	-2.0	-87.48	337.05	-1.41	-88.89
O=C(C[N-]C(=O)C(F)(F)F)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859492	0	42	-2.0	-87.15	375.42	-1.68	-88.83
NC1=NC([O-])=C(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)S1	REAL300030859493	0	44	-2.0	-105.76	386.48	-2.45	-108.21
O=C(NCC1CCN(C(=O)C2=CC=C([O-])C=C2F)C12CC2)C1=CC(=O)[N-]O1	REAL300030859514	1	43	-2.0	-91.38	364.69	1.62	-89.76
O=C(NCC1CCN(C(=O)C2=CC([O-])=CC(=O)O2)C12CC2)C1=CC(=O)[N-]O1	REAL300030859520	0	42	-2.0	-87.33	362.28	1.07	-86.26
N#CC1=CC=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C=C1[O-]	REAL300030859528	1	44	-2.0	-87.15	378.94	1.97	-85.18
O=C(NCC1CCN(C(=O)C2=CC(Cl)=NC=C2[O-])C12CC2)C1=CC(=O)[N-]O1	REAL300030859532	0	42	-2.0	-94.69	370.08	1.38	-93.31
N#CC1=CC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)=C(N)[N-]C1=O	REAL300030859535	0	45	-2.0	-86.84	393.46	-1.22	-88.06
O=C(CN1N=CC(=O)[N-]C1=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859549	0	44	-2.0	-97.29	381.13	-3.06	-100.35
CC1=CC=C([O-])C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)=N1	REAL300030859613	1	45	-2.0	-102.22	375.56	2.83	-99.39
O=C(NCC1CCN(C(=O)C2=C[N-]N=CC2=O)C12CC2)C1=CC(=O)[N-]O1	REAL300030859632	0	41	-2.0	-88.57	356.10	0.25	-88.32
O=C(NCC1CCN(C(=O)C2=CC=CC(F)=C2[O-])C12CC2)C1=CC(=O)[N-]O1	REAL300030859640	0	43	-2.0	-107.38	364.24	2.85	-104.53
O=C(NCC1CCN(C(=O)C2=CC=CC([O-])=C2F)C12CC2)C1=CC(=O)[N-]O1	REAL300030859733	1	43	-2.0	-103.45	364.53	1.62	-101.83
O=C(NCC1CCN(C(=O)C2=CC(=O)N[N-]2)C12CC2)C1=CC(=O)[N-]O1	REAL300030859838	0	40	-2.0	-87.54	342.07	-1.34	-88.88
C[PH](C)([O-])C(=O)C(=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030859843	0	45	-2.0	-86.85	375.14	-0.19	-87.04
CN1[N-]C(CC(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)=CC1=O	REAL300030859847	0	46	-2.0	-98.42	388.69	0.86	-97.56
O=C(NCC1CCN(C(=O)C2=CC(F)=CC(F)=C2[O-])C12CC2)C1=CC(=O)[N-]O1	REAL300030859911	0	43	-2.0	-98.21	371.62	2.93	-95.28
O=C(NCC1CCN(C(=O)C2=CC(=O)N([O-])C=C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030859934	0	43	-2.0	-99.20	373.12	2.40	-96.80
O=C(NCC1CCN(C(=O)C2=NC(=O)N[N-]2)C12CC2)C1=CC(=O)[N-]O1	REAL300030859963	0	39	-2.0	-87.52	336.68	-2.06	-89.58
O=C(NCC1CCN(C(=O)C2=CC=CN([O-])C2=O)C12CC2)C1=CC(=O)[N-]O1	REAL300030859969	0	43	-2.0	-113.84	372.43	2.37	-111.47
NC1=CC(=O)[N-]C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)=N1	REAL300030860072	0	43	-2.0	-96.59	366.09	-1.65	-98.24
O=C(NCC1CCN(C(=O)C2=CC=C([O-])C(Cl)=C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030860121	0	43	-2.0	-87.65	374.76	2.11	-85.54
O=C(NCC1CCN(C(=O)C2=CC(F)=CC=C2[O-])C12CC2)C1=CC(=O)[N-]O1	REAL300030860126	1	43	-2.0	-98.09	364.44	2.83	-95.26
CC1=CC=NC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)=C1[O-]	REAL300030860188	1	45	-2.0	-101.25	374.29	2.94	-98.31
O=C(NCC1CCN(C(=O)C2=CN=CC([O-])=C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030860303	1	42	-2.0	-87.64	352.88	-0.27	-87.91
O=C(NCC1CCN(C(=O)C2=CC=CC(=S)N2[O-])C12CC2)C1=CC(=O)[N-]O1	REAL300030860313	0	43	-2.0	-118.29	383.06	2.79	-115.50
O=C(NCC1CCN(C(=O)C2=CC=C([O-])C(Cl)=N2)C12CC2)C1=CC(=O)[N-]O1	REAL300030860426	0	42	-2.0	-83.81	372.24	1.18	-82.63
O=C(NCC1CCN(C(=O)C2=CC=C([O-])C=C2Cl)C12CC2)C1=CC(=O)[N-]O1	REAL300030860470	1	43	-2.0	-89.75	373.09	2.07	-87.68
N#CC1=CC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)=C([O-])C=C1N	REAL300030860471	0	46	-2.0	-97.11	391.65	1.11	-96.00
O=C(CC1=NC([O-])=CS1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860478	0	42	-2.0	-105.84	371.70	-1.58	-107.42
O=C(CN1[N-]C(=O)C=CC1=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860492	0	45	-2.0	-95.25	386.97	-0.95	-96.20
O=C(NCC1CCN(C(=O)C2=CC=C(F)C=C2[O-])C12CC2)C1=CC(=O)[N-]O1	REAL300030860494	0	43	-2.0	-101.24	364.44	2.83	-98.41
O=C(CC1SC(=O)[N-]C1=O)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860588	0	43	-2.0	-86.87	378.89	-2.35	-89.22
O=C(NCC1CCN(C(=O)C2=CC=C([O-])C(F)=C2F)C12CC2)C1=CC(=O)[N-]O1	REAL300030860609	0	43	-2.0	-93.39	370.65	1.74	-91.65
O=C(NCC1CCN(C(=O)C2=CC=CC(Cl)=C2[O-])C12CC2)C1=CC(=O)[N-]O1	REAL300030860616	0	43	-2.0	-101.72	374.92	3.39	-98.33
CC1=CC(=O)C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)=N[N-]1	REAL300030860642	0	44	-2.0	-92.23	370.72	2.35	-89.88
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030860645	0	48	-2.0	-104.66	402.58	2.00	-102.66
O=C(NCC1CCN(C(=O)C2=CC=CC(=O)N2[O-])C12CC2)C1=CC(=O)[N-]O1	REAL300030860664	0	43	-2.0	-115.19	371.96	2.15	-113.04
N#CC1=CC=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C(=O)[N-]1	REAL300030860687	0	43	-2.0	-93.33	381.91	0.05	-93.28
CN1N=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)[N-]C1=O	REAL300030860737	0	42	-2.0	-94.40	359.43	-1.12	-95.52
[N-]=[N+]=NC1=CC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)=CC=C1[O-]	REAL300030860760	0	45	-2.0	-85.39	386.56	-0.61	-86.00
N#CC1=CC=C([O-])C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)=C1	REAL300030860796	0	44	-2.0	-94.93	378.87	3.18	-91.75
O=C(NCC1CCN(C(=O)C2=CN([O-])C(=O)NC2=O)C12CC2)C1=CC(=O)[N-]O1	REAL300030860888	0	43	-2.0	-91.17	377.54	-0.24	-91.41
O=C(NCC1CCN(C(=O)C2=CC=C(F)C([O-])=C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030860938	1	43	-2.0	-91.00	365.00	1.58	-89.42
O=C(NCC1CCN(C(=O)C2=CC=C(Cl)C=C2[O-])C12CC2)C1=CC(=O)[N-]O1	REAL300030860955	1	43	-2.0	-101.12	374.76	3.28	-97.84
O=C(NCC1CCN(C(=O)C2=NC(=O)[N-]C(=O)N2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861020	0	41	-2.0	-84.06	355.58	-2.99	-87.05
O=C(NCC1CCN(C(=O)C2=NC(=O)NC(=O)[N-]2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861020	1	41	-2.0	-84.06	355.58	-2.99	-87.05
O=C(NCC1CCN(C(=O)C2=CC=C3N=NN([O-])C3=C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861034	0	45	-2.0	-101.38	380.16	0.58	-100.80
O=C(NCC1CCN(C(=O)C2=C(Cl)C(=O)[N-]S2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861063	0	39	-2.0	-89.13	357.75	-0.69	-89.82
NC1=NC=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C(=O)N1	REAL300030861077	0	43	-2.0	-95.47	369.42	-1.14	-96.61
NC1=NC=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C(=O)[N-]1	REAL300030861077	1	43	-2.0	-95.47	369.42	-1.14	-96.61
CC1=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)[N-]C(=O)C(C#N)=C1	REAL300030861100	0	46	-2.0	-83.74	391.88	1.90	-81.84
O=C(NCC1CCN(C(=O)C2=CC=C3N[N-]N=C3C2=O)C12CC2)C1=CC(=O)[N-]O1	REAL300030861161	0	45	-2.0	-95.71	387.08	0.34	-95.37
O=C(NCC1CCN(C(=O)C2=NC=CC(Cl)=C2[O-])C12CC2)C1=CC(=O)[N-]O1	REAL300030861167	0	42	-2.0	-97.36	370.15	2.76	-94.60
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861214	0	39	-2.0	-91.28	336.90	-1.14	-92.42
CC1SC(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)=NC1=O	REAL300030861235	0	42	-2.0	-93.64	368.86	-0.64	-94.28
CC1=C([O-])N=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)S1	REAL300030861235	1	42	-2.0	-93.64	368.86	-0.64	-94.28
O=C(NCC1CCN(C(=O)C(=O)C2=CC=C(O)C=C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861325	0	45	-2.0	-88.67	379.67	1.90	-86.77
O=C(NCC1CCN(C(=O)C(=O)C2=CC=C([O-])C=C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861325	1	45	-2.0	-88.67	379.67	1.90	-86.77
O=C(NCC1CCN(C(=O)C2=CN=C(C=N[O-])S2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861348	0	42	-2.0	-99.71	375.90	-0.32	-100.03
O=C(NCC1CCN(C(=O)C2=CC(=O)C=C(Cl)N2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861369	0	42	-2.0	-84.05	371.94	2.19	-81.86
O=C(NCC1CCN(C(=O)C2=CC(=O)C=C(Cl)[N-]2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861369	1	42	-2.0	-84.05	371.94	2.19	-81.86
O=C(NCC1CCN(C(=O)C2=CC(=O)NC([O-])=C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861392	0	43	-2.0	-85.92	373.23	-2.53	-88.45
CCN1[N-]C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)=CC1=O	REAL300030861452	0	46	-2.0	-91.09	386.60	1.30	-89.79
CN1[N-]C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)=CC1=O	REAL300030861469	0	43	-2.0	-90.21	364.79	0.37	-89.84
O=C(CSC1=NNC(=O)[N-]1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861479	0	43	-2.0	-90.37	382.16	-1.64	-92.01
O=C(CC1=CC(=O)NN1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861599	0	43	-2.0	-96.11	365.85	-0.87	-96.98
O=C(CC1=CC(=O)N[N-]1)N1CCC(CNC(=O)C2=CC(=O)[N-]O2)C12CC2	REAL300030861599	1	43	-2.0	-96.11	365.85	-0.87	-96.98
O=C(NCC1CCN(C(=O)C2=CC=C(O)C(F)=C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861604	0	43	-2.0	-90.85	364.96	1.63	-89.22
O=C(NCC1CCN(C(=O)C2=CC=C([O-])C(F)=C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861604	1	43	-2.0	-90.85	364.96	1.63	-89.22
O=C(NCC1CCN(C(=O)C2=CC(F)=C([O-])C(F)=C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861647	0	43	-2.0	-91.52	370.81	1.71	-89.81
O=C(NCC1CCN(C(=O)C2=CC=NC(Cl)=C2[O-])C12CC2)C1=CC(=O)[N-]O1	REAL300030861652	0	42	-2.0	-99.07	369.40	1.39	-97.68
CC1=CN=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C(O)=C1	REAL300030861702	0	45	-2.0	-102.92	375.25	2.93	-99.99
CC1=CN=C(C(=O)N2CCC(CNC(=O)C3=CC(=O)[N-]O3)C23CC3)C([O-])=C1	REAL300030861702	1	45	-2.0	-102.92	375.25	2.93	-99.99
O=C(NCC1CCN(C(=O)C2=CC([O-])=CS2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861723	0	40	-2.0	-98.58	349.31	0.40	-98.18
O=C(NCC1CCN(C(=O)C2=CN([O-])C(=O)C=C2)C12CC2)C1=CC(=O)[N-]O1	REAL300030861736	0	43	-2.0	-98.62	372.90	2.41	-96.21
O=C(NCC1CCN(C(=O)C2=CC(=O)[N-]O2)C12CC2)C1=CN([O-])C(=O)NC1=O	REAL300030861768	0	43	-2.0	-86.91	367.78	0.03	-86.88
O=C(NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)C1=COC(=O)[N-]1	REAL300030862109	1	45	-2.0	-98.61	372.61	-0.69	-99.30
O=C(NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)N[N-]1	REAL300030862175	0	46	-2.0	-98.65	376.96	0.28	-98.37
O=C(NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)C1=NC(=O)N[N-]1	REAL300030862232	0	45	-2.0	-99.25	372.03	-1.00	-100.25
O=C(NCCC1C2=CC=CC=C2CCN1C(=O)C1=COC(=O)[N-]1)C1=CC(=O)[N-]O1	REAL300030862549	1	45	-2.0	-91.76	371.85	0.86	-90.90
O=C(NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300030862593	0	46	-2.0	-96.01	376.73	0.76	-95.25
O=C(NCCC1C2=CC=CC=C2CCN1C(=O)C1=NC(=O)N[N-]1)C1=CC(=O)[N-]O1	REAL300030862600	0	45	-2.0	-94.45	372.08	0.21	-94.24
O=C(NCCC1C2=CC=CC=C2CCN1C(=O)C1=CC(=O)[N-]O1)C1=CC(=O)[N-]O1	REAL300030862697	0	45	-2.0	-101.46	372.18	0.78	-100.68
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1=CN([O-])C(=O)C=C1)C1=CC=CC=C1	REAL300030863703	0	45	-2.0	-101.71	385.03	4.04	-97.67
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1=CC(=O)NC([O-])=C1)C1=CC=CC=C1	REAL300030863766	0	45	-2.0	-93.15	385.49	-0.88	-94.03
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1=COC(=O)[N-]1)C1=CC=CC=C1	REAL300030863774	1	41	-2.0	-99.88	356.96	-1.04	-100.92
CCN1[N-]C(C(=O)NCC(C2=CC=CC=C2)N(C)C(=O)C2=CC(=O)[N-]O2)=CC1=O	REAL300030863865	0	48	-2.0	-96.02	406.33	2.59	-93.43
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)CC1=CC(=O)N[N-]1)C1=CC=CC=C1	REAL300030863871	1	45	-2.0	-94.70	382.45	0.59	-94.11
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1=NN(C)C(=O)[N-]1)C1=CC=CC=C1	REAL300030863884	0	44	-2.0	-97.05	379.47	0.18	-96.87
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1=C[N-]N=CC1=O)C1=CC=CC=C1	REAL300030863925	0	43	-2.0	-91.30	366.61	2.13	-89.17
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1=CC(=O)N[N-]1)C1=CC=CC=C1	REAL300030863972	0	42	-2.0	-92.66	362.39	-0.05	-92.71
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C(=O)[PH](C)(C)[O-])C1=CC=CC=C1	REAL300030863976	0	47	-2.0	-91.87	396.01	1.46	-90.41
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1=CC=CN([O-])C1=O)C1=CC=CC=C1	REAL300030863993	0	45	-2.0	-119.76	382.07	4.20	-115.56
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1=CC(=O)N([O-])C=C1)C1=CC=CC=C1	REAL300030864018	0	45	-2.0	-103.21	385.15	4.02	-99.19
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1=CC=CC(=O)N1[O-])C1=CC=CC=C1	REAL300030864038	0	45	-2.0	-111.10	382.52	5.05	-106.05
CC1=CC(=O)C(C(=O)NCC(C2=CC=CC=C2)N(C)C(=O)C2=CC(=O)[N-]O2)=N[N-]1	REAL300030864237	0	46	-2.0	-97.48	390.51	3.75	-93.73
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1=NC(=O)N[N-]1)C1=CC=CC=C1	REAL300030864244	0	41	-2.0	-96.91	356.74	-1.33	-98.24
CN(C(=O)C1=CC(=O)[N-]O1)C(CNC(=O)C1=CC(=O)N(C)[N-]1)C1=CC=CC=C1	REAL300030864385	0	45	-2.0	-94.69	385.21	1.66	-93.03
CN(C(=O)C1=NC=CC=C1[O-])C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030864780	1	44	-2.0	-107.92	373.90	4.07	-103.85
CN(C(=O)C1=CC(=O)N=C[N-]1)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030865387	1	43	-2.0	-95.16	373.00	2.75	-92.41
CN(C(=O)C1=COC(=O)[N-]1)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030865438	1	41	-2.0	-92.20	357.29	0.31	-91.89
CN(C(=O)C1=CC=C([O-])C=C1F)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030865487	1	45	-2.0	-94.98	386.50	4.01	-90.97
CN(C(=O)C1=CC([O-])=CC(=O)O1)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030865490	0	44	-2.0	-93.47	384.74	3.43	-90.04
CN(C(=O)C1=CC(=O)N=C[N-]1)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030865499	1	43	-2.0	-95.16	373.00	2.75	-92.41
CC1=CC=C([O-])C(C(=O)N(C)C(CNC(=O)C2=CC(=O)[N-]O2)C2=CC=CC=C2)=N1	REAL300030865526	1	47	-2.0	-108.67	395.62	4.65	-104.02
CN(C(=O)C1=C[N-]N=CC1=O)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030865534	0	43	-2.0	-97.09	375.78	1.84	-95.25
CN(C(=O)C1=CC=CC(F)=C1[O-])C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030865539	0	45	-2.0	-117.24	387.42	4.01	-113.23
CN(C(=O)C1=CC=CC([O-])=C1F)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030865580	1	45	-2.0	-113.43	387.67	3.33	-110.10
CN(C(=O)C1=CC(=O)N[N-]1)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030865628	0	42	-2.0	-93.82	361.58	0.36	-93.46
CN(C(=O)C(=O)[PH](C)(C)[O-])C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030865631	0	47	-2.0	-96.23	396.15	1.48	-94.75
CN(C(=O)C1=CC(=O)N([O-])C=C1)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030865662	0	45	-2.0	-101.36	392.45	3.96	-97.40
CN(C(=O)C1=NNC(=O)[N-]1)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030865675	0	41	-2.0	-97.43	356.77	-1.17	-98.60
CN(C(=O)C1=CC=CN([O-])C1=O)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030865677	0	45	-2.0	-108.19	393.83	4.55	-103.64
CN(C(=O)C1=CC(F)=CC=C1O)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030865748	0	45	-2.0	-99.86	389.02	5.08	-94.78
CN(C(=O)C1=CC(F)=CC=C1[O-])C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030865748	1	45	-2.0	-99.86	389.02	5.08	-94.78
CC1=CC=NC(C(=O)N(C)C(CNC(=O)C2=CC(=O)[N-]O2)C2=CC=CC=C2)=C1O	REAL300030865784	0	47	-2.0	-107.47	394.34	4.75	-102.72
CC1=CC=NC(C(=O)N(C)C(CNC(=O)C2=CC(=O)[N-]O2)C2=CC=CC=C2)=C1[O-]	REAL300030865784	1	47	-2.0	-107.47	394.34	4.75	-102.72
CN(C(=O)C1=CN=CC(O)=C1)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030865829	0	44	-2.0	-102.38	373.11	1.30	-101.08
CN(C(=O)C1=CN=CC([O-])=C1)C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030865829	1	44	-2.0	-102.38	373.11	1.30	-101.08
CN(C(=O)C1=CC=C(F)C=C1[O-])C(CNC(=O)C1=CC(=O)[N-]O1)C1=CC=CC=C1	REAL300030865894	0	45	-2.0	-102.29	386.24	5.36	-96.93
CC1=CC(=O)C(C(=O)N(C)C(CNC(=O)C2=CC(=O)[N-]O2)C2=CC=CC=C2)=N[N-]1	REAL300030865953	0	46	-2.0	-98.27	390.50	4.09	-94.18
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N#CC1=CC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=C(N)[N-]C1=O	REAL300030872733	0	45	-2.0	-92.22	371.90	-0.36	-92.58
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CC1=CC=C([O-])C(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=N1	REAL300030872811	1	45	-2.0	-110.05	356.56	3.31	-106.74
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O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC=CC(F)=C2[O-])C1	REAL300030872838	0	43	-2.0	-117.06	347.44	3.46	-113.60
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C[PH](C)([O-])C(=O)C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873041	0	45	-2.0	-93.83	362.71	0.43	-93.40
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CC1=CC=NC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=C1O	REAL300030873386	0	45	-2.0	-109.55	357.30	3.42	-106.13
CC1=CC=NC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=C1[O-]	REAL300030873386	1	45	-2.0	-109.55	357.30	3.42	-106.13
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O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CN=CC([O-])=C2)C1	REAL300030873501	1	42	-2.0	-101.03	333.13	0.38	-100.65
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC=CC(=S)N2[O-])C1	REAL300030873511	0	43	-2.0	-111.70	364.75	3.49	-108.21
O=C(C1=CC=C([O-])C(Cl)=N1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873624	0	42	-2.0	-88.06	353.26	1.67	-86.39
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC=C(O)C=C2Cl)C1	REAL300030873668	0	43	-2.0	-93.22	357.55	2.73	-90.49
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC=C([O-])C=C2Cl)C1	REAL300030873668	1	43	-2.0	-93.22	357.55	2.73	-90.49
N#CC1=CC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=C([O-])C=C1N	REAL300030873669	0	46	-2.0	-103.67	376.88	1.03	-102.64
O=C(CC1=NC([O-])=CS1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873676	0	42	-2.0	-111.16	353.13	-0.91	-112.07
O=C(CN1[N-]C(=O)C=CC1=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873690	0	45	-2.0	-102.46	368.75	-0.30	-102.76
O=C(CC1SC(=O)[N-]C1=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873786	0	43	-2.0	-90.40	360.71	-1.59	-91.99
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC=C([O-])C(F)=C2F)C1	REAL300030873807	0	43	-2.0	-98.42	355.88	2.52	-95.90
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC=CC(Cl)=C2[O-])C1	REAL300030873814	0	43	-2.0	-110.92	357.24	3.93	-106.99
CC1=CC(=O)C(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=N[N-]1	REAL300030873840	0	44	-2.0	-97.49	352.05	3.07	-94.42
O=C(C=C([O-])C1=CC=C(O)C=C1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873843	0	48	-2.0	-112.52	384.11	2.53	-109.99
O=C(C1=CC=CC(=O)N1[O-])N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030873862	0	43	-2.0	-109.94	353.65	2.87	-107.07
N#CC1=CC=C(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C(=O)[N-]1	REAL300030873885	0	43	-2.0	-92.89	363.87	0.80	-92.09
CN1N=C(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)[N-]C1=O	REAL300030873935	0	42	-2.0	-99.13	340.88	-0.52	-99.65
[N-]=[N+]=NC1=CC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=CC=C1[O-]	REAL300030873958	0	45	-2.0	-96.26	370.81	0.19	-96.07
N#CC1=CC=C([O-])C(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=C1	REAL300030873994	0	44	-2.0	-101.69	363.99	3.14	-98.55
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CN([O-])C(=O)NC2=O)C1	REAL300030874086	0	43	-2.0	-95.02	358.69	0.49	-94.53
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC=C(F)C(O)=C2)C1	REAL300030874136	0	43	-2.0	-110.89	344.67	2.28	-108.61
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC=C(F)C([O-])=C2)C1	REAL300030874136	1	43	-2.0	-110.89	344.67	2.28	-108.61
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC=C(Cl)C=C2O)C1	REAL300030874153	0	43	-2.0	-112.94	357.13	3.65	-109.29
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC=C(Cl)C=C2[O-])C1	REAL300030874153	1	43	-2.0	-112.94	357.13	3.65	-109.29
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=NC(=O)[N-]C(=O)N2)C1	REAL300030874218	0	41	-2.0	-91.12	335.87	-3.20	-94.32
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=NC(=O)NC(=O)[N-]2)C1	REAL300030874218	1	41	-2.0	-88.20	337.12	-2.35	-90.55
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC=C3N=NN([O-])C3=C2)C1	REAL300030874232	0	45	-2.0	-110.47	363.51	1.32	-109.15
O=C(C1=C(Cl)C(=O)[N-]S1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874261	0	39	-2.0	-96.34	340.69	-0.00	-96.34
NC1=NC=C(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C(=O)[N-]1	REAL300030874275	1	43	-2.0	-98.67	351.25	-0.52	-99.19
CC1=C(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)[N-]C(=O)C(C#N)=C1	REAL300030874298	0	46	-2.0	-87.20	374.62	2.39	-84.81
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC=C(F)C([O-])=C2F)C1	REAL300030874310	0	43	-2.0	-110.09	355.85	2.50	-107.59
COC1=NC(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=CC(=O)[N-]1	REAL300030874358	0	45	-2.0	-99.81	364.42	-2.35	-102.16
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC=C3N[N-]N=C3C2=O)C1	REAL300030874359	0	45	-2.0	-95.32	368.72	1.05	-94.27
O=C(C1=NC=CC(Cl)=C1[O-])N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874365	0	42	-2.0	-104.91	351.16	3.24	-101.67
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC=C(Cl)C([O-])=C2)C1	REAL300030874398	0	43	-2.0	-106.71	354.47	2.76	-103.95
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC=NC=C2[O-])C1	REAL300030874407	0	42	-2.0	-113.96	337.45	1.05	-112.91
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874412	0	39	-2.0	-97.35	320.42	-0.63	-97.98
CC1=C([O-])N=C(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)S1	REAL300030874433	1	42	-2.0	-94.39	350.49	-0.14	-94.53
O=C(C(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21)C1=CC=C([O-])C=C1	REAL300030874523	1	45	-2.0	-95.78	360.33	2.36	-93.42
O=C(C1=CN=C(C=N[O-])S1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874546	0	42	-2.0	-104.98	358.18	0.31	-104.67
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)C=C(Cl)[N-]2)C1	REAL300030874567	1	42	-2.0	-90.67	352.43	2.66	-88.01
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(=O)NC([O-])=C2)C1	REAL300030874590	0	43	-2.0	-92.17	353.96	-2.01	-94.18
CCN1[N-]C(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=CC1=O	REAL300030874650	0	46	-2.0	-96.29	368.15	2.01	-94.28
CN1[N-]C(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)=CC1=O	REAL300030874667	0	43	-2.0	-97.25	345.78	0.84	-96.41
O=C(CSC1=NNC(=O)[N-]1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874677	0	43	-2.0	-95.08	363.64	-0.98	-96.06
O=C(CC1=CC(=O)N[N-]1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874797	1	43	-2.0	-102.47	347.28	-0.19	-102.66
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC=C([O-])C(F)=C2)C1	REAL300030874802	1	43	-2.0	-101.10	344.63	2.31	-98.79
O=C(C1=CC(=O)[N-]O1)N1CC[C@H]2[C@H](CCN2C(=O)C2=CC(F)=C([O-])C(F)=C2)C1	REAL300030874845	0	43	-2.0	-98.34	355.14	2.29	-96.05
O=C(C1=CC=NC(Cl)=C1[O-])N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874850	0	42	-2.0	-110.62	351.66	1.72	-108.90
CC1=C(CC(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C(=O)N(C)[N-]1	REAL300030874864	0	49	-2.0	-111.22	392.11	2.07	-109.15
CC1=CN=C(C(=O)N2CC[C@@H]3CN(C(=O)C4=CC(=O)[N-]O4)CC[C@@H]32)C([O-])=C1	REAL300030874900	1	45	-2.0	-108.57	356.63	3.48	-105.09
O=C(C1=CC([O-])=CS1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874921	0	40	-2.0	-105.82	331.94	1.16	-104.66
O=C(C1=CN([O-])C(=O)C=C1)N1CC[C@@H]2CN(C(=O)C3=CC(=O)[N-]O3)CC[C@@H]21	REAL300030874934	0	43	-2.0	-105.95	354.32	3.07	-102.88
O=C(C1=CC(=O)[N-]O1)N1CC[C@@H]2CN(C(=O)C3=CN([O-])C(=O)NC3=O)CC[C@@H]21	REAL300030874966	0	43	-2.0	-97.51	358.22	0.47	-97.04
O=C(C1=CC(=O)[N-]O1)N1CCOCC12COCCN(C(=O)C1=COC(=O)[N-]1)C2	REAL300030875556	1	44	-2.0	-96.34	341.11	-1.51	-97.85
O=C(C1=CC(=O)[N-]O1)N1CCOCC12COCCN(C(=O)C1=CC(=O)N[N-]1)C2	REAL300030875638	0	45	-2.0	-121.82	353.67	-0.79	-122.61
O=C(C1=CC(=O)[N-]O1)N1CCOCC12COCCN(C(=O)C1=NC(=O)N[N-]1)C2	REAL300030875709	0	44	-2.0	-120.98	332.04	-1.52	-122.50
O=C(C1=COC(=O)[N-]1)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876092	1	44	-2.0	-88.15	340.14	-1.82	-89.97
O=C(C1=CC(=O)N[N-]1)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876144	0	45	-2.0	-103.58	342.11	-1.78	-105.36
O=C(C1=NC(=O)N[N-]1)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876154	0	44	-2.0	-117.04	338.46	-1.53	-118.57
O=C(C1=CC(=O)[N-]O1)N1CCOCC12COCCN(C(=O)C1=CC(=O)[N-]O1)C2	REAL300030876274	0	44	-2.0	-95.22	339.98	-1.78	-97.00