CCNS(=O)(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554507	0	38	-1.0	-43.33	343.40	-1.24	-44.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(I)=C1[O-]	REAL300025554508	0	24	-2.0	-88.54	253.09	1.71	-86.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(I)=C1O	REAL300025554508	1	25	-1.0	-36.91	256.66	0.71	-36.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1SCC1CCCC1	REAL300025554509	0	43	-1.0	-41.59	371.92	6.26	-35.33
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1SC1CCCC1	REAL300025554510	0	38	-1.0	-37.93	335.29	5.23	-32.70
CNS(=O)(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554511	0	35	-1.0	-43.77	322.36	-2.10	-45.87
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554512	0	31	-1.0	-38.36	299.60	3.72	-34.64
CC1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554513	0	27	-1.0	-36.42	263.82	2.33	-34.09
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300025554514	0	32	-1.0	-35.92	294.94	2.96	-32.96
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1	REAL300025554515	0	34	-1.0	-52.19	312.40	3.63	-48.56
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554516	0	35	-1.0	-36.83	319.42	3.49	-33.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C=C1SC1=CC=C(Cl)C=C1	REAL300025554517	0	35	-1.0	-35.37	347.71	6.07	-29.30
COC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)C=C1OC	REAL300025554518	0	42	-1.0	-40.22	347.03	2.54	-37.68
O=C(CC1=CC(Cl)=CC2=C1OCC2)NCC1=NC(=O)O[N-]1	REAL300025554519	0	32	-1.0	-39.50	298.31	2.09	-37.41
CCCCSC1=CC=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025554520	0	37	-1.0	-37.95	338.01	5.00	-32.95
CCC(CC)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(OC)C(OC)=C1	REAL300025554521	0	47	-1.0	-40.42	361.73	2.66	-37.76
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(SC2=CC=C(Cl)C=C2)=C1	REAL300025554522	0	38	-1.0	-38.02	352.38	6.23	-31.79
COC1=CC=C(C(=O)CC(C)(C)CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554523	0	45	-1.0	-42.79	360.55	3.49	-39.30
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554524	0	35	-2.0	-95.92	321.94	-1.41	-97.33
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554524	1	36	-1.0	-44.82	325.39	-2.41	-47.23
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C(Br)C=C1Br	REAL300025554525	0	23	-1.0	-36.19	255.95	0.56	-35.63
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1SC1=CC=C(Cl)C=C1	REAL300025554526	0	35	-1.0	-41.29	345.66	5.41	-35.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2CCCC2)N=C1	REAL300025554527	0	37	-1.0	-36.26	314.34	0.90	-35.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1SC1=CC=C(Cl)C=C1	REAL300025554528	0	35	-1.0	-37.50	338.64	5.69	-31.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1SC1=CC=CC=C1	REAL300025554529	0	35	-1.0	-38.29	330.97	5.56	-32.73
CC1=CC=C(SC2=CC=C(Cl)C=C2)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554530	0	38	-1.0	-38.15	352.38	6.24	-31.91
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025554531	0	41	-1.0	-40.25	343.54	-0.13	-40.38
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300025554532	0	33	-1.0	-37.23	331.17	1.29	-35.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1SC1=CC=CC=C1	REAL300025554533	0	35	-1.0	-40.33	322.90	5.17	-35.16
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554534	0	47	-1.0	-38.91	360.48	2.93	-35.98
COC1=CC=C(C(=O)CCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554535	0	42	-1.0	-41.56	359.67	3.24	-38.32
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)O1	REAL300025554536	0	33	-1.0	-41.98	299.04	0.18	-41.80
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554537	0	40	-1.0	-42.82	348.57	3.75	-39.07
CC(C)S(=O)(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025554538	0	39	-1.0	-44.90	345.29	0.73	-44.17
O=C(CSC1=NN=C2C=CC=CN21)NCC1=NC(=O)O[N-]1	REAL300025554539	0	30	-1.0	-45.46	289.58	2.70	-42.76
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300025554540	0	34	-2.0	-109.81	319.22	1.70	-108.11
CC1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)O1	REAL300025554541	0	31	-1.0	-38.09	297.78	2.77	-35.32
CC1=CC(C)=C(C(NC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025557507	0	53	-1.0	-37.13	419.21	4.45	-32.68
CC(C)(C)OC(=O)NCC1(C2=NOC=C2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025557508	0	47	-1.0	-39.68	395.72	0.88	-38.80
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557509	0	48	-1.0	-41.88	371.46	3.58	-38.30
COC1=CC=C(C23CC(CC2)C3C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025557510	0	42	-1.0	-38.54	341.44	3.80	-34.74
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCOCC2)CCOCC1	REAL300025557511	0	42	-1.0	-38.65	310.66	0.38	-38.27
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC(F)=C(F)C=C1F	REAL300025557512	0	28	-1.0	-36.08	267.14	0.07	-36.01
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC(F)=C(F)C(F)=C1	REAL300025557513	0	28	-1.0	-37.41	272.34	-0.02	-37.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(C=C(Br)O2)N1	REAL300025557514	0	25	-1.0	-34.79	257.01	-0.23	-35.02
O=C(NCC1=NC(=O)O[N-]1)C1CCC(=O)N1CCC(F)(F)F	REAL300025557515	0	34	-1.0	-40.23	307.71	0.83	-39.40
CC1=C(Cl)C=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557516	0	27	-1.0	-33.50	272.31	2.77	-30.73
CC(C)C1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)(F)F)=CO1	REAL300025557517	0	33	-1.0	-39.71	310.34	2.21	-37.50
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C(F)(F)F)=CO1	REAL300025557518	0	30	-1.0	-39.82	290.07	1.62	-38.20
CC1(C)CCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C(Cl)N=C2C1	REAL300025557519	0	39	-1.0	-36.36	327.46	3.05	-33.31
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL300025557520	0	38	-1.0	-41.74	322.26	3.24	-38.50
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCCC1	REAL300025557521	0	42	-1.0	-36.52	333.59	3.38	-33.14
COC1=CC=C(N2N=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C(C)C)C=C1	REAL300025557522	0	44	-1.0	-39.14	357.55	3.04	-36.10
O=C(NCC1=NC(=O)O[N-]1)C1=NOC2=C1CC(F)(F)CC2	REAL300025557523	0	30	-1.0	-40.98	273.29	1.15	-39.83
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=C(Cl)C=CC=C2Cl)=N1	REAL300025557524	0	33	-1.0	-40.26	327.76	3.76	-36.50
O=C(CS(=O)(=O)C1=CC=CC=C1F)NCC1=NC(=O)O[N-]1	REAL300025557525	0	30	-1.0	-46.13	289.19	-1.22	-47.35
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2CCOCC2)NC1=O	REAL300025557526	0	37	-1.0	-47.75	313.29	-1.05	-48.80
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2CCOCC2)[N-]C1=O	REAL300025557526	1	36	-2.0	-93.10	310.04	-2.13	-95.23
O=C(NCC1=NC(=O)O[N-]1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL300025557527	0	27	-1.0	-43.50	268.21	1.36	-42.14
COC(=O)C1=CC2=C(SC(C(=O)NCC3=NC(=O)O[N-]3)=C2)S1	REAL300025557528	0	30	-1.0	-36.93	306.28	2.27	-34.66
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(S1)C1=CC=CC=C1NC2=O	REAL300025557529	0	33	-1.0	-42.34	311.07	1.53	-40.81
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1I	REAL300025557530	0	28	-1.0	-35.12	277.27	1.49	-33.63
CC1=CC=C2C(=C1)C=CN2CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025557531	0	37	-1.0	-37.63	321.33	4.39	-33.24
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)OC2=CC=C(Br)C=C21	REAL300025557532	0	33	-1.0	-36.88	312.88	3.52	-33.36
COC1=CC=C(C(CC(=O)NCC2=NC(=O)O[N-]2)C(F)F)C=C1	REAL300025557533	0	37	-1.0	-37.74	319.45	2.35	-35.39
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C(C2=CC=C(F)C=C2)S1	REAL300025557534	0	33	-1.0	-40.25	313.51	2.65	-37.60
O=C(NCC1=NC(=O)O[N-]1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL300025557535	0	38	-1.0	-40.16	323.74	1.32	-38.84
CC(C)(C)OC(=O)NC1=CN(CC(=O)NCC2=NC(=O)O[N-]2)N=C1	REAL300025557536	0	41	-1.0	-46.46	347.64	-0.70	-47.16
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557537	0	45	-1.0	-43.97	370.87	1.59	-42.38
CC1=CC(F)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1I	REAL300025557538	0	27	-1.0	-36.09	266.81	2.72	-33.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(Br)C=N2)C=C1	REAL300025557539	0	34	-1.0	-37.61	329.04	2.03	-35.58
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)NCC1=NC(=O)O[N-]1	REAL300025557540	0	44	-1.0	-37.48	354.80	0.45	-37.03
CC(C)(C)OC(=O)NC(CC1=CC=CS1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557541	0	44	-1.0	-35.96	367.26	1.08	-34.88
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557542	0	47	-1.0	-39.91	381.42	1.36	-38.55
CC(C)(C)OC(=O)NCCCCCCCCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025557543	0	58	-1.0	-40.51	462.74	3.97	-36.54
CC(C)(C)OC(=O)NCCOCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025557544	0	44	-1.0	-39.39	367.70	-1.36	-40.75
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=C(N)C(OC)=C1OC	REAL300025557545	0	38	-1.0	-35.99	325.48	-1.38	-37.37
NC1=C(Cl)C=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557546	0	26	-1.0	-33.51	262.02	0.36	-33.15
NC1=CC=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557547	0	26	-1.0	-36.55	252.78	-0.11	-36.66
NC1=CC=C(I)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557548	0	26	-1.0	-36.25	259.26	0.37	-35.88
NC1=C(Br)C=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557549	0	26	-1.0	-33.37	270.68	0.59	-32.78
NC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC=C1C(F)(F)F	REAL300025557550	0	29	-1.0	-34.78	266.06	0.40	-34.38
CC1=CC(Br)=C(N)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557551	0	29	-1.0	-34.53	270.79	0.64	-33.89
NC1=C(Br)C=C(F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557552	0	26	-1.0	-33.83	255.80	0.04	-33.79
NC1=C(Br)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557553	0	26	-1.0	-34.82	250.32	-0.05	-34.87
NC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC(Cl)=C1Cl	REAL300025557554	0	26	-1.0	-33.09	260.43	0.30	-32.79
NC1=C(I)C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557555	0	26	-1.0	-34.61	256.30	0.44	-34.17
NC1=C(F)C=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557556	0	26	-1.0	-33.41	257.66	-0.01	-33.42
NC1=CC=C(C(F)(F)F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557557	0	29	-1.0	-37.48	270.49	0.27	-37.21
CC1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1N	REAL300025557558	0	29	-1.0	-36.46	270.12	0.66	-35.80
NC1=CC(F)=C(Br)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557559	0	26	-1.0	-34.80	257.87	-0.08	-34.88
NC1=C(Br)C=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557560	0	26	-1.0	-33.49	266.12	0.48	-33.01
CC1=CN(C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=C(N)C=C2F)N=C1	REAL300025557561	0	36	-1.0	-41.48	314.99	1.12	-40.36
COC1=CC(N)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(C)(=O)=O	REAL300025557562	0	36	-1.0	-48.50	318.42	-3.34	-51.84
CC1=C(Br)C=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1N	REAL300025557563	0	29	-1.0	-34.75	266.85	0.54	-34.21
COC1=C(F)C=C(C(=O)NCC2=NC(=O)O[N-]2)C(N)=C1F	REAL300025557564	0	30	-1.0	-34.67	276.59	-1.15	-35.82
NC1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1N	REAL300025557565	0	28	-1.0	-37.04	264.00	-1.96	-39.00
NC1=CC(Cl)=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557566	0	26	-1.0	-34.67	262.77	0.23	-34.44
NC1=CC(Br)=C(F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557567	0	26	-1.0	-35.11	257.88	-0.08	-35.19
COC1=CC(Br)=C(N)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557568	0	30	-1.0	-36.15	279.79	-0.75	-36.90
NC1=C(I)C=C(F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557569	0	26	-1.0	-33.67	261.73	0.52	-33.15
COC1=CC(N)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025557570	0	30	-1.0	-37.82	281.28	-0.75	-38.57
NC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=CC(Br)=C1F	REAL300025557571	0	26	-1.0	-33.17	256.93	-0.04	-33.21
COC1=C(N)C(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1Br	REAL300025557572	0	30	-1.0	-34.05	299.14	-0.13	-34.18
COC1=CC(OC)=C(C(=O)NCC2=NC(=O)O[N-]2)C(N)=C1Cl	REAL300025557573	0	34	-1.0	-40.27	310.40	-1.92	-42.19
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(Cl)=N1	REAL300025557574	0	23	-1.0	-38.10	254.64	0.31	-37.79
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025557575	0	39	-1.0	-41.54	350.34	-4.54	-46.08
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC2=CC=NC=C21	REAL300025557576	0	29	-1.0	-42.49	280.86	1.70	-40.79
CC(C)(C)OC(=O)NC1CCOC(C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557577	0	48	-1.0	-42.31	378.32	-0.31	-42.62
O=C(CCC1=C(Br)SC=C1)NCC1=NC(=O)O[N-]1	REAL300025557578	0	27	-1.0	-36.31	276.18	2.10	-34.21
CN1C=C(Br)C(=O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557579	0	27	-1.0	-57.28	266.03	1.16	-56.12
CC(=O)CC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025557580	0	49	-1.0	-48.57	392.51	3.11	-45.46
COC1(C(F)(F)C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025557581	0	48	-1.0	-40.54	383.70	1.77	-38.77
CC(C)(C)OC1CC(CC(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL300025557582	0	46	-1.0	-37.91	358.95	3.07	-34.84
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=NNN=C2)CCOCC1	REAL300025557583	0	37	-1.0	-38.62	300.66	-1.90	-40.52
O=C(NCC1=NC(=O)O[N-]1)C1(CC2=CNN=N2)CCOCC1	REAL300025557583	1	37	-1.0	-39.17	293.92	-1.27	-40.44
O=C(NCC1=NC(=O)O[N-]1)C1=NN=C2C(Br)=CC=CN12	REAL300025557584	0	26	-1.0	-44.95	264.90	1.90	-43.05
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300025557585	0	35	-1.0	-34.64	318.51	1.45	-33.19
O=C(NCC1=NC(=O)O[N-]1)C1=C(CN2CCOCC2)C=CO1	REAL300025557586	0	37	-1.0	-39.54	313.49	-1.54	-41.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1	REAL300025557587	0	34	-2.0	-76.35	324.11	1.76	-74.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(N1)SC(Br)=N2	REAL300025557588	0	24	-1.0	-34.74	261.59	-1.23	-35.97
CC1=NSC(Br)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557589	0	23	-1.0	-34.47	251.30	-0.23	-34.70
COC(=O)C1=CC(OC)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025557590	0	34	-1.0	-40.62	313.62	1.40	-39.22
NC1=C(Br)C=NC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557591	0	25	-1.0	-34.43	245.37	-1.86	-36.29
O=C(CCN1CCCC2=CC=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025557592	0	39	-1.0	-37.34	315.84	2.32	-35.02
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCC1=NC(=O)O[N-]1	REAL300025557593	0	41	-1.0	-41.23	343.28	-3.05	-44.28
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C(NC(=O)OC(C)(C)C)O1	REAL300025557594	0	40	-1.0	-40.56	343.11	-2.89	-43.45
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC(Cl)=C1[N+](=O)[O-]	REAL300025557595	0	26	-1.0	-44.53	277.37	2.28	-42.25
NS(=O)(=O)C1=CC2=C(SC(C(=O)NCC3=NC(=O)O[N-]3)=C2)S1	REAL300025557596	0	29	-1.0	-41.58	306.73	-3.48	-45.06
COC(=O)C1C(F)(F)C12CC(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025557597	0	34	-1.0	-39.74	309.34	2.18	-37.56
O=C(NCC1=NC(=O)O[N-]1)C(O)CC1=CC=NC=C1Br	REAL300025557598	0	30	-1.0	-38.05	288.99	-0.88	-38.93
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CN=C2)CC(F)(F)C1	REAL300025557599	0	33	-1.0	-38.73	294.73	1.69	-37.04
O=C(NCC1=NC(=O)O[N-]1)C(NS(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C1	REAL300025557600	0	42	-1.0	-40.74	378.25	1.13	-39.61
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557601	0	41	-1.0	-39.61	343.54	-2.78	-42.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(C(F)(F)F)=N1	REAL300025557602	0	26	-1.0	-39.42	274.21	0.82	-38.60
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557603	0	32	-2.0	-97.26	296.82	-3.46	-100.72
CC(C)(C)OC(=O)N1CCC12CC(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025557604	0	45	-1.0	-38.34	361.98	1.84	-36.50
CC1=C(I)C(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL300025557605	0	23	-1.0	-38.37	246.49	0.19	-38.18
CC(C)(C)OC(=O)N1CC(C2=NOC=C2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557606	0	44	-1.0	-39.41	373.32	1.45	-37.96
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025557607	0	39	-1.0	-40.42	328.88	1.23	-39.19
CC(C)(C)OC(=O)NCC=C(F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557608	0	38	-1.0	-38.59	329.59	-0.83	-39.42
CC(C)(C)OC(=O)N1CC2CC1C2C1=C(C(=O)NCC2=NC(=O)O[N-]2)N=CO1	REAL300025557609	0	48	-1.0	-43.99	394.76	0.18	-43.81
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NCC2=NC(=O)O[N-]2)[C@H](O)C1	REAL300025557610	0	45	-1.0	-43.63	366.39	-1.60	-45.23
CC(C)(C)OC(=O)N1CCC12CC(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025557611	0	45	-1.0	-38.34	361.98	1.84	-36.50
COC(CF)(OC)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025557612	0	38	-1.0	-38.23	321.46	1.50	-36.73
COC(=O)C1=CC=C(F)C(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025557613	0	33	-1.0	-40.90	299.83	2.00	-38.90
CC(C)(C)OC(=O)N1CC(F)(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C1	REAL300025557614	0	48	-1.0	-44.27	400.64	3.95	-40.32
CS(=O)(=O)N1CCC(OCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025557615	0	39	-1.0	-44.15	337.05	-1.84	-45.99
N#CC1=CC=CC=C1C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025557616	0	35	-1.0	-43.84	318.99	4.77	-39.07
CN1C(Br)=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557617	0	24	-1.0	-37.11	243.19	-0.04	-37.15
O=C(NCC1=NC(=O)O[N-]1)C1=NN(CC(F)(F)F)C=C1Br	REAL300025557618	0	27	-1.0	-46.02	285.26	0.80	-45.22
O=C(CCC1=CSC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025557619	0	27	-1.0	-35.46	278.81	2.19	-33.27
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(CC2=CC=CC=C2)N1	REAL300025557620	0	41	-1.0	-41.63	351.28	4.54	-37.09
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1Cl	REAL300025557621	0	31	-1.0	-37.47	309.20	4.11	-33.36
CCOC1=CC=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025557622	0	38	-1.0	-37.10	323.88	1.88	-35.22
CCC1=CC=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025557623	0	37	-1.0	-36.57	315.34	3.11	-33.46
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC(C)=CC(C)=C21	REAL300025557624	0	37	-1.0	-37.34	308.18	2.78	-34.56
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC=C(C(C)C)C=C21	REAL300025557625	0	40	-1.0	-36.42	332.52	3.58	-32.84
COC1=CC=CC(Br)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557626	0	28	-1.0	-42.48	274.11	0.77	-41.71
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=CC(Br)=C1Cl	REAL300025557627	0	24	-1.0	-38.85	266.27	1.95	-36.90
CC1=CC(CC2(C(=O)NCC3=NC(=O)O[N-]3)CC2)=CC=C1F	REAL300025557628	0	37	-1.0	-38.94	325.80	4.38	-34.56
CC1=CC(F)=CC=C1CC1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025557629	0	37	-1.0	-42.21	311.41	4.77	-37.44
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1	REAL300025557630	0	37	-1.0	-38.36	305.81	3.92	-34.44
C#CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025557631	0	49	-1.0	-38.82	381.13	3.77	-35.05
COC(=O)C1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)SC2=CC=C1	REAL300025557632	0	33	-1.0	-44.15	311.07	2.98	-41.17
COC(=O)C1=NC=CC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025557633	0	35	-1.0	-43.20	308.84	1.14	-42.06
CC(C)(C)OC(=O)N1CS(=O)(=O)CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557634	0	44	-1.0	-50.52	364.31	-1.43	-51.95
CN1C=C2C(=N1)CCN(C(=O)OC(C)(C)C)C2C(=O)NCC1=NC(=O)O[N-]1	REAL300025557635	0	48	-1.0	-46.00	386.73	2.36	-43.64
CC(C)(C)OC(=O)N1CC2(CC1C(=O)NCC1=NC(=O)O[N-]1)CCOCC2	REAL300025557636	0	52	-1.0	-42.99	403.25	1.75	-41.24
CC(C)(C)OC(=O)NCC12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)C(C)(C)O2	REAL300025557637	0	52	-1.0	-37.51	409.53	0.10	-37.41
CC12CC3(C)CC(O)(C1)CC(C(=O)NCC1=NC(=O)O[N-]1)(C2)C3	REAL300025557638	0	45	-1.0	-37.06	337.01	0.62	-36.44
CC(C)(C)OC(=O)NOC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557639	0	48	-1.0	-41.75	400.17	4.34	-37.41
CC(C)(C)OC(=O)NCC1CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557640	0	44	-1.0	-39.12	359.39	0.40	-38.72
CC(C)(C)OC(=O)N1CCOC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025557641	0	46	-1.0	-41.66	372.89	2.55	-39.11
CNC(=O)C1=CN=CC(C=CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557642	0	34	-1.0	-42.92	307.17	-1.27	-44.19
NS(=O)(=O)C1CCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025557643	0	35	-1.0	-47.67	293.64	-3.89	-51.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2F)=NO1	REAL300025557644	0	30	-1.0	-41.81	284.32	2.18	-39.63
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC=C(F)C(Cl)=C1	REAL300025557645	0	28	-1.0	-36.01	275.96	0.36	-35.65
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C2=CC=CN=C12	REAL300025557646	0	29	-1.0	-41.04	278.65	2.37	-38.67
CSC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025557647	0	31	-1.0	-36.13	302.23	3.23	-32.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)N(CC(F)(F)F)C=C1	REAL300025557648	0	30	-1.0	-42.60	284.65	1.10	-41.50
C[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL300025557649	0	37	-1.0	-36.11	326.58	2.74	-33.37
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)COC1	REAL300025557650	0	42	-1.0	-40.37	344.31	-1.57	-41.94
CC(C)(C)OC(=O)N1CC(F)(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025557651	0	48	-1.0	-42.60	400.63	3.95	-38.65
O=C(CC1=CNC2=CC(OCC3=CC=CC=C3)=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025557652	0	45	-1.0	-42.29	388.85	5.05	-37.24
O=C(NCC1=NC(=O)O[N-]1)C1COC2=C(Br)C=CC=C2C1	REAL300025557653	0	32	-1.0	-36.76	295.90	2.27	-34.49
CN(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(C#N)C=C1F	REAL300025557654	0	33	-1.0	-39.88	302.76	1.24	-38.64
CCCN1C(=O)CC(C(=O)NCC2=NC(=O)O[N-]2)C1C1=CC=CC=C1	REAL300025557655	0	44	-1.0	-39.95	363.89	4.07	-35.88
COC1=CC=C(F)C=C1CC1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025557656	0	38	-1.0	-40.81	332.57	3.04	-37.77
O=C(NCC1=NC(=O)O[N-]1)C12CC(F)(F)CC1CCCC2	REAL300025557657	0	37	-1.0	-36.27	289.52	3.06	-33.21
CC1=CC=CC(C2=NOC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025557658	0	33	-1.0	-38.15	301.26	2.71	-35.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=NO1	REAL300025557659	0	30	-1.0	-36.55	296.52	2.56	-33.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2Cl)=NO1	REAL300025557660	0	30	-1.0	-40.20	292.20	2.72	-37.48
COC(=O)C1=C(NC(=O)C(F)(F)F)C=C(C(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025557661	0	34	-1.0	-36.17	339.67	0.29	-35.88
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CCC1	REAL300025557662	0	44	-1.0	-39.33	355.60	0.40	-38.93
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCC(C(F)F)CC1	REAL300025557663	0	50	-1.0	-44.08	394.30	2.57	-41.51
CC(C)(C)OC(=O)NCC12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)C1(CCC1)O2	REAL300025557664	0	53	-1.0	-37.35	419.94	0.86	-36.49
CC1OC2(CNC(=O)OC(C)(C)C)CC1(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025557665	0	49	-1.0	-37.99	395.93	-0.42	-38.41
CC(C)(C)OC(=O)NC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(Cl)=C1	REAL300025557666	0	38	-1.0	-34.91	345.67	1.11	-33.80
COC(=O)[C@@H](CC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025557667	0	43	-1.0	-42.64	365.51	0.06	-42.58
CC(C)(C)OC(=O)N1C2=CC=CC=C2CCC1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025557668	0	51	-1.0	-38.48	394.43	4.70	-33.78
CC(C)(C)OC(=O)N1CC2(CC1CC(=O)NCC1=NC(=O)O[N-]1)CCOCC2	REAL300025557669	0	55	-1.0	-39.96	420.67	2.23	-37.73
CC(C)(C)OC(=O)N1CCC(CC(=O)NCC2=NC(=O)O[N-]2)CC12CC2	REAL300025557670	0	51	-1.0	-38.07	394.87	3.66	-34.41
CC(C)(C)OC(=O)NC1=CC=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025557671	0	45	-1.0	-40.72	377.07	1.23	-39.49
CC1CC(C(=O)NCC2=NC(=O)O[N-]2)N1C(=O)OC(C)(C)C	REAL300025557672	0	41	-1.0	-42.20	339.68	1.24	-40.96
CC1=NSC(I)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557673	0	23	-1.0	-34.16	257.71	0.24	-33.92
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC=C(C(F)(F)F)C=C21	REAL300025557674	0	34	-1.0	-35.07	311.44	2.67	-32.40
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(C2=CC=CC=C2)N1	REAL300025557675	0	38	-1.0	-40.62	325.33	3.75	-36.87
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC(Br)=C1)CC2	REAL300025557676	0	38	-1.0	-37.00	328.04	5.15	-31.85
N#CC1=CC=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025557677	0	31	-1.0	-38.47	305.14	3.38	-35.09
O=C(NCC1=NC(=O)O[N-]1)C(CC(F)(F)F)C1=CC=CC=C1	REAL300025557678	0	33	-1.0	-35.75	297.94	3.15	-32.60
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CSC=C1Br	REAL300025557679	0	24	-1.0	-36.95	263.18	1.24	-35.71
C=CCNC(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025557680	0	35	-1.0	-38.69	311.84	0.74	-37.95
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=CC=C2F)=C1	REAL300025557681	0	33	-1.0	-40.07	301.87	2.93	-37.14
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300025557682	0	33	-1.0	-36.02	300.57	2.34	-33.68
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC(Cl)=CC=C21	REAL300025557683	0	31	-1.0	-35.58	289.21	2.16	-33.42
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CCC2=CC=CC=C21	REAL300025557684	0	51	-1.0	-37.24	401.66	3.43	-33.81
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CC12CCC2	REAL300025557685	0	48	-1.0	-39.28	392.64	1.68	-37.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(F)=C1F	REAL300025557686	0	24	-1.0	-35.31	253.26	1.81	-33.50
CC(C)(C)OC(=O)NCC1=CC=CC([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557687	0	51	-1.0	-40.20	421.56	3.52	-36.68
CC(C)(C)OC(=O)NCC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025557688	0	51	-1.0	-39.90	421.56	3.52	-36.38
CC(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557689	0	50	-1.0	-35.62	397.21	2.77	-32.85
C[C@@H]1CCC[C@H](C(=O)NCC2=NC(=O)O[N-]2)N1C(=O)OC(C)(C)C	REAL300025557690	0	47	-1.0	-44.00	359.16	3.15	-40.85
C=CCOCC1(C(=O)NCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)CCO1	REAL300025557691	0	53	-1.0	-44.85	424.93	1.75	-43.10
CCC(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557692	0	53	-1.0	-41.59	415.68	4.49	-37.10
COC(=O)[C@@]12CC[C@]1(C(=O)NCC1=NC(=O)O[N-]1)CN(C(=O)OC(C)(C)C)C2	REAL300025557693	0	51	-1.0	-45.08	412.88	2.57	-42.51
CC(C)(C)OC(=O)N1CCC2CC2(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025557694	0	48	-1.0	-46.27	368.34	3.97	-42.30
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1C(F)(F)F	REAL300025557695	0	27	-1.0	-39.78	260.42	1.89	-37.89
CCOC1=CC=C(C(NC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025557696	0	51	-1.0	-42.93	411.04	2.90	-40.03
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557697	0	48	-1.0	-38.64	373.35	1.69	-36.95
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CCCCO1	REAL300025557698	0	48	-1.0	-36.78	373.60	0.14	-36.64
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025557699	0	48	-1.0	-45.66	377.32	2.79	-42.87
CCC(CCC(=O)NCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025557700	0	46	-1.0	-38.09	367.34	0.92	-37.17
CC(C)(C)OC(=O)NCC1=CC=CC=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025557701	0	50	-1.0	-41.33	408.02	3.09	-38.24
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1C1=CC=CC=C1	REAL300025557702	0	37	-1.0	-38.18	318.52	5.18	-33.00
CC(C)(C)OC(=O)NC1(CCC(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025557703	0	44	-1.0	-41.18	363.29	0.87	-40.31
CC(C)(C)OC(=O)N1CCS(=O)(=O)CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557704	0	47	-1.0	-52.10	382.66	-0.46	-52.56
CC1=C(F)C=CC(Br)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557705	0	27	-1.0	-36.81	269.71	2.00	-34.81
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557706	0	37	-1.0	-39.57	311.34	5.15	-34.42
O=C(NCC1=NC(=O)O[N-]1)C1=COC2=C(Br)C=CC=C12	REAL300025557707	0	27	-1.0	-37.61	271.12	2.00	-35.61
COC1=CC(OC)=C(Cl)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557708	0	32	-1.0	-40.63	291.85	0.21	-40.42
CN(CC1=CC=CC=C1)C(=O)C(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557709	0	43	-1.0	-46.87	347.42	4.39	-42.48
CC(C)(C)N1CCCC(C)(C(=O)NCC2=NC(=O)O[N-]2)S1(=O)=O	REAL300025557710	0	44	-1.0	-45.63	344.14	-0.00	-45.63
O=C(NCC1=NC(=O)O[N-]1)C1CCC1C1=CC=C(Cl)C(Cl)=C1	REAL300025557711	0	34	-1.0	-39.69	318.09	4.32	-35.37
O=C(NCC1=NC(=O)O[N-]1)C1C2C=CC(C2)C1C1=CC=CC=C1	REAL300025557712	0	39	-1.0	-38.17	305.07	4.70	-33.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(CC2=CC=CC=C2)C=N1	REAL300025557713	0	36	-1.0	-41.50	321.18	3.76	-37.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300025557714	0	34	-1.0	-39.12	309.67	3.87	-35.25
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=CC=C1C(F)(F)F	REAL300025557715	0	38	-1.0	-39.99	321.29	2.51	-37.48
COC1=CC=C2NC(C(=O)NCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025557716	0	35	-1.0	-37.28	302.02	0.95	-36.33
O=C(NCC1=NC(=O)O[N-]1)C(=O)C1=CSC=C1Br	REAL300025557717	0	23	-1.0	-37.94	250.64	0.45	-37.49
O=C(CC(C1=CC=C(F)C=C1)C(F)F)NCC1=NC(=O)O[N-]1	REAL300025557718	0	33	-1.0	-35.70	295.96	3.16	-32.54
O=C(NCC1=NC(=O)O[N-]1)C1CCN(CC(F)(F)F)C(=O)C1	REAL300025557719	0	34	-1.0	-41.65	300.41	0.58	-41.07
O=C(NCC1=NC(=O)O[N-]1)C1=CSC(Br)=C1Cl	REAL300025557720	0	21	-1.0	-35.61	246.86	1.18	-34.43
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC2CCC1C2	REAL300025557721	0	34	-1.0	-36.13	278.19	2.36	-33.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1CC(F)(F)F	REAL300025557722	0	30	-1.0	-38.23	271.84	2.74	-35.49
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Br)C=C1)CC2	REAL300025557723	0	38	-1.0	-38.78	328.16	5.15	-33.63
CCN(CCC(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025557724	0	43	-1.0	-39.74	349.94	2.00	-37.74
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC2CC21	REAL300025557725	0	48	-1.0	-42.11	372.73	2.19	-39.92
CC1=CC(F)=CC=C1C(F)(F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557726	0	30	-1.0	-34.63	275.73	2.29	-32.34
CC1=NN=NN1C(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025557727	0	35	-1.0	-45.43	310.81	1.52	-43.91
O=C(NCC1=NC(=O)O[N-]1)C(CC1=CC=CC(C(F)(F)F)=C1)C1CCCCC1	REAL300025557728	0	49	-1.0	-36.26	394.22	7.37	-28.89
CCOC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CC2(CCC2)C1	REAL300025557729	0	40	-1.0	-35.85	330.85	3.52	-32.33
COC1=CC(F)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025557730	0	28	-1.0	-38.02	275.46	1.10	-36.92
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(I)=C1F	REAL300025557731	0	24	-1.0	-37.94	252.58	2.19	-35.75
CC(C)(C)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=C1	REAL300025557732	0	38	-1.0	-41.04	321.55	5.05	-35.99
O=C(NCC1=NC(=O)O[N-]1)C(CC1=CC=C(Cl)C=C1)C1=CC=CC=C1	REAL300025557733	0	40	-1.0	-35.73	358.29	6.33	-29.40
O=C(NCC1=NC(=O)O[N-]1)C(CC1=CC=CC=C1)C1CCCCC1	REAL300025557734	0	46	-1.0	-36.37	355.50	6.38	-29.99
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C(F)(F)F)=CC=C1OCC1=CC=CC=C1	REAL300025557735	0	41	-1.0	-42.21	368.90	6.58	-35.63
CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCC2=CC=CC=C21	REAL300025557736	0	40	-1.0	-37.41	309.50	4.32	-33.09
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)CF)C=C1	REAL300025557737	0	30	-1.0	-37.29	280.83	2.73	-34.56
CC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300025557738	0	37	-1.0	-35.77	326.56	2.75	-33.02
COC(=O)C1=CSC2=C1NC(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025557739	0	31	-1.0	-43.00	301.12	0.69	-42.31
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)N2)S1	REAL300025557740	0	31	-1.0	-36.98	301.36	0.84	-36.14
CC(C)(C)OC(=O)NCC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025557741	0	47	-1.0	-40.03	393.65	2.19	-37.84
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025557742	0	51	-1.0	-39.19	401.04	4.58	-34.61
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557743	0	47	-1.0	-38.05	372.55	1.10	-36.95
CC(C)(C)OC(=O)NCCC(F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557744	0	40	-1.0	-39.31	340.02	-0.69	-40.00
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=C(C1)C(C(F)(F)F)=NN2	REAL300025557745	0	34	-1.0	-38.99	302.07	0.68	-38.31
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557746	0	38	-1.0	-39.48	319.47	4.56	-34.92
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557747	0	38	-1.0	-39.47	319.59	4.57	-34.90
COCC(OC1=CC=C(Cl)C=C1C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557748	0	38	-1.0	-38.91	341.32	2.73	-36.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(I)C(F)=C1	REAL300025557749	0	24	-1.0	-32.79	259.92	2.22	-30.57
O=C(NCC1(C(=O)NCC2=NC(=O)O[N-]2)COC1)OCC1=CC=CC=C1	REAL300025557750	0	43	-1.0	-41.51	371.19	0.39	-41.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C3OCCOC3=C2)=NN1	REAL300025557751	0	37	-1.0	-39.45	327.11	0.24	-39.21
O=C(CC(C1=CC=CC(F)=C1)C(F)F)NCC1=NC(=O)O[N-]1	REAL300025557752	0	33	-1.0	-35.79	295.88	3.16	-32.63
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2	REAL300025557753	0	38	-1.0	-38.85	323.60	5.05	-33.80
CC1=CC(Cl)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025557754	0	27	-1.0	-36.41	273.09	2.75	-33.66
NS(=O)(=O)C1=CSC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557755	0	26	-1.0	-42.11	268.82	-5.04	-47.15
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=C(Br)C=C1[N+](=O)[O-]	REAL300025557756	0	26	-1.0	-40.31	286.72	2.86	-37.45
O=C(CCC1=C(C2=CC=CC=C2)NC2=CC=C(Cl)C=C21)NCC1=NC(=O)O[N-]1	REAL300025557757	0	44	-1.0	-38.97	392.09	6.44	-32.53
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557758	0	37	-1.0	-36.21	317.82	3.72	-32.49
COC1=CC=CC=C1N1N=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557759	0	35	-1.0	-41.73	307.17	1.62	-40.11
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2F)=NO1	REAL300025557760	0	33	-1.0	-40.39	303.27	2.73	-37.66
O=C(NCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC2CCC1CC2	REAL300025557761	0	37	-1.0	-35.56	289.13	2.99	-32.57
CC1=CC=C(C2CCCCC2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025557762	0	43	-1.0	-37.36	331.53	5.01	-32.35
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557763	0	49	-1.0	-37.74	391.26	5.28	-32.46
O=C(CCCN1CC2=CC=CC=C2C1=O)NCC1=NC(=O)O[N-]1	REAL300025557764	0	38	-1.0	-47.60	332.08	2.72	-44.88
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557765	0	36	-1.0	-45.12	328.64	4.23	-40.89
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557766	0	44	-1.0	-36.15	356.40	-1.53	-37.68
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025557767	0	47	-1.0	-37.82	381.24	-0.17	-37.99
CC(C)(C)OC(=O)N1CC(CC(=O)NCC2=NC(=O)O[N-]2)OC(C)(C)C1	REAL300025557768	0	51	-1.0	-40.81	399.82	2.86	-37.95
CC(C(=O)NCC1=NC(=O)O[N-]1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300025557769	0	47	-1.0	-38.52	372.69	2.35	-36.17
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=CC(Br)=C1	REAL300025557770	0	34	-1.0	-40.98	322.53	3.24	-37.74
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557771	0	46	-1.0	-37.57	367.54	5.27	-32.30
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557772	0	34	-1.0	-36.69	308.10	3.45	-33.24
COCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)CC1	REAL300025557773	0	54	-1.0	-38.14	407.11	2.98	-35.16
CC(C)CC(NC(=O)OC(C)(C)C)(C(=O)NCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025557774	0	49	-1.0	-34.05	380.82	3.18	-30.87
CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)CC1	REAL300025557775	0	54	-1.0	-42.57	403.29	4.29	-38.28
O=C(NCC1=NC(=O)O[N-]1)C1COC2=CC=C(Br)C=C2C1	REAL300025557776	0	32	-1.0	-34.72	297.04	2.19	-32.53
O=C(CN1C(=O)NC2(CCOCC2)C1=O)NCC1=NC(=O)O[N-]1	REAL300025557777	0	37	-1.0	-42.81	317.84	-2.66	-45.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC2=CC(Cl)=CC=C21	REAL300025557778	0	30	-1.0	-37.15	279.32	3.82	-33.33
O=C(CC1CCC2=CC(Br)=CC=C21)NCC1=NC(=O)O[N-]1	REAL300025557779	0	34	-1.0	-37.06	304.51	4.12	-32.94
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL300025557780	0	33	-1.0	-37.63	296.90	2.75	-34.88
CC(OC1=CC=C(Cl)C=C1C1CCCCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557781	0	47	-1.0	-37.00	389.09	6.57	-30.43
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)SC2=C1SN=N2	REAL300025557782	0	22	-1.0	-35.64	257.34	-0.63	-36.27
CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557783	0	47	-1.0	-43.17	375.56	2.46	-40.71
CC(C)(C)OC(=O)N1CC(C)(C)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557784	0	47	-1.0	-43.20	375.52	2.45	-40.75
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC2(C1)CCOCC2	REAL300025557785	0	52	-1.0	-42.67	401.73	-0.13	-42.80
COC(=O)C1=COC2=C1NC(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025557786	0	31	-1.0	-43.39	292.51	-0.17	-43.56
COC(=O)C1=CC(C)=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C1	REAL300025557787	0	37	-1.0	-38.79	330.28	2.26	-36.53
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C2=NNC=N2)S1	REAL300025557788	0	29	-1.0	-48.50	282.12	-0.26	-48.76
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CCCO1	REAL300025557789	0	45	-1.0	-39.69	362.35	-0.64	-40.33
CC(C)(C)OC(=O)N1CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)CC1	REAL300025557790	0	52	-1.0	-38.19	407.24	4.31	-33.88
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC=CC1	REAL300025557791	0	42	-1.0	-41.23	341.12	0.44	-40.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1	REAL300025557792	0	37	-1.0	-42.34	326.33	3.61	-38.73
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=CSC=C2)C=C1	REAL300025557793	0	31	-1.0	-37.43	286.09	3.47	-33.96
CC(C)(C)OC(=O)N1CCC2=C(C1)C(C(=O)NCC1=NC(=O)O[N-]1)=NO2	REAL300025557794	0	44	-1.0	-44.68	365.08	1.71	-42.97
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557795	0	49	-1.0	-38.81	382.24	1.22	-37.59
CC(OC1=CC=C(Cl)C=C1CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557796	0	44	-1.0	-37.93	387.46	7.23	-30.70
O=C(NCC1=NC(=O)O[N-]1)C1CC2=CC(Br)=CN=C2C1	REAL300025557797	0	30	-1.0	-36.35	284.27	1.61	-34.74
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC(C(F)(F)F)=CC=N2)=C1	REAL300025557798	0	37	-1.0	-39.26	346.99	2.41	-36.85
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NCC2=NC(=O)O[N-]2)C1(C)C	REAL300025557799	0	50	-1.0	-37.36	391.91	2.87	-34.49
O=C(CCCCC1CSSC1)NCC1=NC(=O)O[N-]1	REAL300025557800	0	35	-1.0	-39.30	313.59	4.22	-35.08
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC2=C(Cl)C=CC=C12	REAL300025557801	0	29	-1.0	-37.11	272.34	1.95	-35.16
CC(C)(C)OC(=O)N1CCCC1C(C)(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557802	0	50	-1.0	-37.87	375.45	3.48	-34.39
CC(C)(C)OC(=O)N1CCC2(CCC2)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557803	0	51	-1.0	-43.17	389.00	4.17	-39.00
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CCCC1	REAL300025557804	0	47	-1.0	-36.22	367.34	1.53	-34.69
O=C(NCC1=NC(=O)O[N-]1)C(CC1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300025557805	0	40	-1.0	-36.25	348.11	5.88	-30.37
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557806	0	40	-1.0	-36.21	344.70	4.81	-31.40
O=C(NCC1=NC(=O)O[N-]1)C(CC1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300025557807	0	40	-1.0	-35.85	358.43	6.33	-29.52
O=C(CC1=CC(Br)=CS1)NCC1=NC(=O)O[N-]1	REAL300025557808	0	24	-1.0	-36.04	257.45	1.46	-34.58
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)NCC1=NC(=O)O[N-]1	REAL300025557809	0	35	-1.0	-39.40	323.91	5.02	-34.38
COC1(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)COC1	REAL300025557810	0	36	-1.0	-39.74	301.63	0.35	-39.39
O=C(CC1=C(Br)SC(Br)=C1)NCC1=NC(=O)O[N-]1	REAL300025557811	0	24	-1.0	-35.39	277.35	2.07	-33.32
COCCN1C=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025557812	0	38	-1.0	-41.67	328.18	2.73	-38.94
CC(C)N1C=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025557813	0	37	-1.0	-42.04	312.59	4.15	-37.89
O=C(NCC1=NC(=O)O[N-]1)C(CC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300025557814	0	40	-1.0	-36.19	347.96	5.88	-30.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(F)C=C2)=NS1	REAL300025557815	0	30	-1.0	-35.68	292.38	2.33	-33.35
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=NS1	REAL300025557816	0	30	-1.0	-35.34	302.70	2.79	-32.55
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(Cl)=C2)=NS1	REAL300025557817	0	30	-1.0	-35.59	302.70	2.78	-32.81
CC1=CC=C(C(=O)C2=CC=C(CC(=O)NCC3=NC(=O)O[N-]3)N2C)C=C1	REAL300025557818	0	43	-1.0	-42.27	366.25	4.89	-37.38
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC2=CC(F)=CC(F)=C21	REAL300025557819	0	31	-1.0	-34.12	283.29	1.73	-32.39
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557820	0	43	-1.0	-42.42	366.33	-0.23	-42.65
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557821	0	47	-1.0	-38.06	372.55	1.10	-36.96
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557822	0	50	-1.0	-37.10	399.00	0.00	-37.10
CC(C)(C)OC(=O)NC(CC1CCOCC1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557823	0	51	-1.0	-36.97	396.39	0.65	-36.32
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557824	0	47	-1.0	-44.73	368.48	2.65	-42.08
CC(C)(C)OC(=O)N1CCC2(CC(CC(=O)NCC3=NC(=O)O[N-]3)CO2)CC1	REAL300025557825	0	55	-1.0	-40.40	423.97	2.96	-37.44
CC(C)(C)OC(=O)N1CCCC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)S2)C1	REAL300025557826	0	48	-1.0	-41.27	395.51	4.20	-37.07
CC(C)(C)OC(=O)N1CCC1(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557827	0	41	-1.0	-43.41	339.66	0.91	-42.50
CN1N=C(C(=O)NCC2=NC(=O)O[N-]2)C2=C1CCN(C(=O)OC(C)(C)C)C2	REAL300025557828	0	48	-1.0	-49.08	389.96	1.85	-47.23
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557829	0	49	-1.0	-35.18	367.86	2.62	-32.56
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557830	0	50	-1.0	-36.78	399.14	0.09	-36.69
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)C=CN=C1F	REAL300025557831	0	23	-1.0	-40.22	246.25	-0.41	-40.63
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)CC(F)(F)C1	REAL300025557832	0	44	-1.0	-40.29	361.75	2.09	-38.20
CC(C)(C)OC(=O)N1CCC[C@H]1CN1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025557833	0	50	-1.0	-46.42	412.11	1.46	-44.96
CC(C)(C)OC(=O)N1CCC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C1	REAL300025557834	0	48	-1.0	-44.60	381.27	4.19	-40.41
CC(C)(C)OC(=O)NC(CC(=O)NCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1F	REAL300025557835	0	47	-1.0	-41.47	401.53	3.54	-37.93
CC(C)(C)OC(=O)NCC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL300025557836	0	40	-1.0	-41.48	348.62	-3.83	-45.31
CN(C)C1=CC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557837	0	32	-1.0	-37.87	288.46	2.07	-35.80
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL300025557838	0	34	-1.0	-47.25	302.33	-0.41	-47.66
CC(C)(C)OC(=O)NC(C)(C(=O)NCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025557839	0	40	-1.0	-40.82	338.03	-0.21	-41.03
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CC2(CCC2)C1	REAL300025557840	0	51	-1.0	-39.88	406.53	2.12	-37.76
O=C(NCC1=NC(=O)O[N-]1)C12CCN(CCC1)S2(=O)=O	REAL300025557841	0	33	-1.0	-42.34	279.48	-2.74	-45.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1OC1=CC=CN=C1	REAL300025557842	0	33	-1.0	-42.94	300.61	0.82	-42.12
CC1=CC=CC(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2(F)F)=C1	REAL300025557843	0	34	-1.0	-37.48	309.53	3.77	-33.71
O=C(NCC1=NC(=O)O[N-]1)C1=C(C2CC2)ON=C1Br	REAL300025557844	0	27	-1.0	-35.58	275.94	1.34	-34.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(N1)C(Br)=CO2	REAL300025557845	0	25	-1.0	-36.67	257.02	-0.32	-36.99
CC(C)C1=CNC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=NC2=C1	REAL300025557846	0	36	-1.0	-56.61	311.03	1.07	-55.54
O=C(CC1=CC2=C(C=C1Br)OCO2)NCC1=NC(=O)O[N-]1	REAL300025557847	0	30	-1.0	-38.69	289.46	0.87	-37.82
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)SC2=C1SN=N2	REAL300025557848	0	22	-1.0	-35.29	261.76	-0.53	-35.82
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=CC(Br)=CNC2=N1	REAL300025557849	0	26	-1.0	-55.42	267.07	-0.33	-55.75
COC1=CC=C(CNC(=O)OC(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557850	0	48	-1.0	-44.91	396.34	2.06	-42.85
CC(C)(C)OC(=O)NC1CCCN(CC(=O)NCC2=NC(=O)O[N-]2)C1=O	REAL300025557851	0	48	-1.0	-49.75	389.59	-0.04	-49.79
CC(C)(C)OC(=O)N1CC(C(=O)NCC2=NC(=O)O[N-]2)C2(CCCC2)C1	REAL300025557852	0	51	-1.0	-37.32	392.49	3.09	-34.23
CCOCCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557853	0	47	-1.0	-36.75	378.86	-0.66	-37.41
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025557854	0	48	-1.0	-39.62	380.44	4.25	-35.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(C(F)(F)F)=C1F	REAL300025557855	0	27	-1.0	-35.83	278.52	2.56	-33.27
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NCC2C(=O)NCC1=NC(=O)O[N-]1	REAL300025557856	0	49	-1.0	-47.03	391.99	-0.65	-47.68
C#CCC1(C(=O)NCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025557857	0	46	-1.0	-45.81	374.40	3.07	-42.74
CC(C)(C)OC(=O)N1CCN2C(=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557858	0	46	-1.0	-41.94	369.97	3.01	-38.93
CC(C)(C)OC(=O)NCC1=CC=CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025557859	0	50	-1.0	-43.02	411.75	3.60	-39.42
CC(C)(C)OC(=O)NC(CC1=CC=C(Cl)N=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557860	0	46	-1.0	-41.05	394.37	1.71	-39.34
CCOC1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1N	REAL300025557861	0	33	-1.0	-35.73	303.23	0.22	-35.51
CC(C)(C)OC(=O)NC1(CC(=O)NCC2=NC(=O)O[N-]2)CS(=O)(=O)C1	REAL300025557862	0	44	-1.0	-43.55	366.69	-3.26	-46.81
CC(C)(C)OC(=O)N1CC2(CCC2)C(F)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557863	0	48	-1.0	-36.72	382.33	2.70	-34.02
CC1=CC=CC(C(CNC(=O)OC(C)(C)C)C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557864	0	50	-1.0	-39.96	410.77	2.72	-37.24
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1Br	REAL300025557865	0	31	-1.0	-38.58	291.95	3.57	-35.01
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557866	0	44	-1.0	-38.80	367.55	-0.56	-39.36
CC(C)(C)OC(=O)N1CC(CN2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)C1	REAL300025557867	0	47	-1.0	-50.60	398.87	0.60	-50.00
C=CCN(CCC(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025557868	0	44	-1.0	-39.61	363.38	2.56	-37.05
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557869	0	47	-1.0	-42.29	378.56	2.49	-39.80
CC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC(=O)CC2)C=C1	REAL300025557870	0	42	-1.0	-36.85	337.07	4.10	-32.75
O=C(NCC1=NC(=O)O[N-]1)C1(C2CCOCC2)CC1(F)F	REAL300025557871	0	35	-1.0	-38.64	291.54	1.29	-37.35
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)N=C1C(F)(F)F	REAL300025557872	0	29	-1.0	-36.15	288.31	1.51	-34.64
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025557873	0	32	-1.0	-36.98	296.79	0.25	-36.73
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)CO1	REAL300025557874	0	45	-1.0	-41.27	367.42	-1.36	-42.63
NC1=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C(Br)C=C1[N+](=O)[O-]	REAL300025557875	0	31	-1.0	-39.15	301.99	0.94	-38.21
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557876	0	44	-1.0	-37.06	358.30	-1.46	-38.52
CC(C)(C)OC(=O)NCC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1Cl	REAL300025557877	0	47	-1.0	-38.76	403.02	2.48	-36.28
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025557878	0	47	-1.0	-38.83	372.50	2.69	-36.14
COC1(C(=O)NCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025557879	0	42	-1.0	-38.84	348.86	-0.99	-39.83
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CC2(CCC2)C1	REAL300025557880	0	51	-1.0	-35.26	397.71	2.47	-32.79
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)C1CC(C)(C)C1	REAL300025557881	0	50	-1.0	-35.18	389.17	1.72	-33.46
CC(C)(C)OC(=O)NCC1=CC=CC(OCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557882	0	48	-1.0	-41.68	402.57	2.07	-39.61
CC(C)(C)OC(=O)NC1CCCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025557883	0	51	-1.0	-42.39	402.27	3.19	-39.20
CC(C)(C)OC(=O)NCC1CC2CC1CC2C(=O)NCC1=NC(=O)O[N-]1	REAL300025557884	0	51	-1.0	-38.97	393.03	1.82	-37.15
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557885	0	48	-1.0	-42.21	378.53	-0.65	-42.86
CC(C)(C)OC(=O)NCC1=CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025557886	0	50	-1.0	-40.48	415.04	3.74	-36.74
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)C2C1C2(F)F	REAL300025557887	0	45	-1.0	-37.20	368.45	2.66	-34.54
CC(C)(C)OC(=O)N1CC2=C(C(=O)NCC3=NC(=O)O[N-]3)NN=C2C1(C)C	REAL300025557888	0	48	-1.0	-35.98	390.03	1.03	-34.95
CC(C)(C)OC(=O)NC1CCC(C(=O)NCC2=NC(=O)O[N-]2)CCC1(F)F	REAL300025557889	0	50	-1.0	-39.69	389.36	1.79	-37.90
CC(C)(C)OC(=O)NC1CCCC(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025557890	0	50	-1.0	-39.72	383.34	1.66	-38.06
CC(C)(C)OC(=O)NC1=CN=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025557891	0	40	-1.0	-40.90	352.92	0.09	-40.81
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025557892	0	47	-1.0	-36.65	367.19	2.44	-34.21
CC(C)(C)OC(=O)NC12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CC1)CC2	REAL300025557893	0	51	-1.0	-39.97	384.35	1.63	-38.34
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025557894	0	41	-1.0	-40.43	345.50	-0.79	-41.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1C(F)(F)F	REAL300025557895	0	27	-1.0	-39.17	267.92	2.27	-36.90
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300025557896	0	31	-1.0	-38.47	295.66	3.50	-34.97
COC1=NN(C)C(Br)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557897	0	28	-1.0	-40.33	281.21	-2.87	-43.20
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC2=NC(=O)O[N-]2)C[C@H](C(C)(C)C)C1	REAL300025557898	0	56	-1.0	-36.55	418.78	3.89	-32.66
CC(C)(C)OC(=O)NCC12CC(C(=O)NCC3=NC(=O)O[N-]3)(C1)C1(COC1)O2	REAL300025557899	0	51	-1.0	-38.47	409.42	-1.80	-40.27
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557900	0	48	-1.0	-40.52	383.87	0.34	-40.18
CC(C)(C)OC(=O)N1CC(CC(=O)NCC2=NC(=O)O[N-]2)C2CCCCC21	REAL300025557901	0	54	-1.0	-39.53	413.20	3.95	-35.58
CS(=O)(=O)C1(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)CC1	REAL300025557902	0	37	-1.0	-57.49	321.65	0.25	-57.24
CC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)SC2=C(C)S1	REAL300025557903	0	30	-1.0	-39.70	294.96	3.01	-36.69
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=CC=C(OC3=CC=CC=C3)C=C2C1=O	REAL300025557904	0	41	-1.0	-59.53	359.03	4.00	-55.53
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C1=O	REAL300025557904	1	40	-2.0	-92.85	355.81	3.56	-89.29
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557905	0	48	-1.0	-44.69	378.21	3.17	-41.52
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557906	0	47	-1.0	-42.61	372.52	1.05	-41.56
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025557907	0	49	-1.0	-37.72	382.52	4.27	-33.45
O=C(NCC1=NC(=O)O[N-]1)C1=C2SC(Cl)=C(Cl)C2=CC=C1	REAL300025557908	0	27	-1.0	-35.61	288.35	3.49	-32.12
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025557909	0	36	-1.0	-47.31	294.61	-2.22	-49.53
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)NCC1=NC(=O)O[N-]1)C3=O	REAL300025557910	0	40	-1.0	-55.57	334.79	4.15	-51.42
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NCC1=NC(=O)O[N-]1)=C2	REAL300025557911	0	38	-1.0	-48.45	323.95	2.90	-45.55
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2=O)OC1=O	REAL300025557912	0	32	-1.0	-50.17	286.89	1.91	-48.26
COC1=CC2=NC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2C=C1	REAL300025557913	0	33	-1.0	-37.38	286.64	0.73	-36.65
CC(C)(C)OC(=O)N1CC2(CCOCC2)CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557914	0	55	-1.0	-43.70	407.67	3.15	-40.55
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CC12CCOCC2	REAL300025557915	0	52	-1.0	-41.06	410.75	0.65	-40.41
CC(C)(C)OC(=O)NCC12CCC(C(=O)NCC3=NC(=O)O[N-]3)(CC1)CO2	REAL300025557916	0	52	-1.0	-38.64	402.36	0.52	-38.12
CC(C)(C)OC(=O)N1C2=CC=CC=C2CCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557917	0	48	-1.0	-44.17	378.61	4.92	-39.25
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557918	0	47	-1.0	-43.14	375.48	2.45	-40.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300025557919	0	36	-1.0	-42.78	314.45	0.51	-42.27
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300025557920	0	31	-1.0	-38.42	288.50	2.28	-36.14
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NCC1=NC(=O)O[N-]1	REAL300025557921	0	34	-1.0	-44.66	318.96	0.68	-43.98
O=C(NCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL300025557922	0	33	-1.0	-37.24	296.91	2.75	-34.49
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025557923	0	26	-1.0	-37.44	258.07	0.46	-36.98
COC1=CC(Br)=CN=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557924	0	27	-1.0	-40.36	267.16	0.50	-39.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O	REAL300025557925	0	33	-1.0	-46.50	304.37	-1.31	-47.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2SCCC(=O)C2=C1	REAL300025557926	0	31	-1.0	-40.62	285.55	2.33	-38.29
CCC1=CC=C(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)N=N2)C=C1	REAL300025557927	0	36	-1.0	-42.17	321.30	2.19	-39.98
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025557928	0	39	-1.0	-39.78	349.94	0.48	-39.30
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557929	0	39	-1.0	-41.77	349.96	0.46	-41.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300025557930	0	29	-2.0	-75.12	285.15	-0.31	-75.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)NC(=S)NC2=C1	REAL300025557930	1	30	-1.0	-38.28	288.25	0.12	-38.16
CC(C)(C)OC(=O)N1CCC(F)(F)CC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557931	0	44	-1.0	-42.12	356.55	2.61	-39.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC(OC2=CC=CC=C2Cl)=CC=N1	REAL300025557932	0	34	-1.0	-40.11	323.19	2.72	-37.39
CC(C)CC(CCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557933	0	45	-1.0	-37.65	362.08	6.22	-31.43
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557934	0	35	-1.0	-35.04	303.58	2.85	-32.19
CC1=NN=NN1C1=CC(F)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557935	0	32	-1.0	-40.70	296.33	1.18	-39.52
CC1(C)CCC(=O)C2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025557936	0	39	-1.0	-41.88	319.61	3.48	-38.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CN=CC(Br)=C2S1	REAL300025557937	0	26	-1.0	-37.10	275.94	1.30	-35.80
O=C(CC1=CC=C(N2CCOCC2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025557938	0	40	-1.0	-38.66	329.76	0.56	-38.10
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1	REAL300025557939	0	37	-1.0	-40.40	318.16	2.24	-38.16
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br	REAL300025557940	0	31	-1.0	-38.25	294.44	3.56	-34.69
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CC2CCC1C2	REAL300025557941	0	51	-1.0	-40.38	390.09	1.91	-38.47
O=C(NCC1=NC(=O)O[N-]1)C1CCC(=O)N(CC(F)(F)F)C1	REAL300025557942	0	34	-1.0	-38.94	299.96	0.61	-38.33
CC1=CN=C(N2CCOCC2)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557943	0	38	-1.0	-39.81	318.09	0.18	-39.63
CS(=O)(=O)C1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557944	0	30	-1.0	-42.87	303.09	-0.81	-43.68
O=C(NCC1=NC(=O)O[N-]1)C1=NSC2=CC(Br)=CC=C21	REAL300025557945	0	26	-1.0	-37.19	273.12	1.67	-35.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=C2OC=CC2=C1	REAL300025557946	0	27	-1.0	-38.34	269.66	2.01	-36.33
CC(C)(C)OC(=O)N1CC2CCCCCC2(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557947	0	54	-1.0	-39.65	383.50	3.59	-36.06
CC(C)(C)OC(=O)N1CCC(C2CCCC2C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025557948	0	57	-1.0	-40.80	428.60	4.90	-35.90
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C2=NC=CC=C2S1	REAL300025557949	0	26	-1.0	-40.73	268.38	1.09	-39.64
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=C2OCC(=O)NC2=C1	REAL300025557950	0	30	-1.0	-39.83	276.37	-1.64	-41.47
O=C(NCC1=NC(=O)O[N-]1)C1CCC1C1=CC=CC=C1Cl	REAL300025557951	0	34	-1.0	-38.09	296.26	3.89	-34.20
COCCN1C=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025557952	0	38	-1.0	-40.32	330.37	2.77	-37.55
CC(C)N1C=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025557953	0	37	-1.0	-40.06	314.73	4.17	-35.89
CN1C2=CC(Cl)=C(Cl)C=C2C(C(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025557954	0	31	-1.0	-38.91	326.81	4.01	-34.90
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=NC=C2C=C1	REAL300025557955	0	29	-1.0	-37.85	280.82	2.06	-35.79
CC12CCCN1S(=O)(=O)C(C(=O)NCC1=NC(=O)O[N-]1)C2	REAL300025557956	0	36	-1.0	-45.65	305.93	-2.69	-48.34
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NN1CCC(F)(F)F	REAL300025557957	0	30	-1.0	-35.16	282.77	0.78	-34.38
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557958	0	35	-1.0	-38.62	317.57	2.99	-35.63
CN1N=CC(Cl)=C1C1=NOC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025557959	0	30	-1.0	-38.08	295.36	0.06	-38.02
CCCCOC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025557960	0	41	-1.0	-37.40	349.93	4.06	-33.34
COC1=CC2=CC=C(CC(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025557961	0	37	-1.0	-39.96	321.21	3.29	-36.67
CC(C)CC(CC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557962	0	42	-1.0	-36.06	342.00	4.82	-31.24
COC1=CC=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025557963	0	31	-1.0	-39.36	292.54	1.34	-38.02
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=C(Cl)C=C1Br	REAL300025557964	0	24	-1.0	-35.54	277.39	2.35	-33.19
CCCCC(C(=O)NCC1=NC(=O)O[N-]1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300025557965	0	49	-1.0	-37.78	388.51	7.94	-29.84
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557966	0	34	-1.0	-52.04	313.53	0.34	-51.70
O=C(NCC1=NC(=O)O[N-]1)C1=CC(F)=C(Br)C(F)=C1	REAL300025557967	0	24	-1.0	-32.81	253.80	1.76	-31.05
CC(C)(C)OC(=O)NC(CCOCC(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557968	0	47	-1.0	-45.76	399.27	0.61	-45.15
CC(C)(C)OC(=O)N[C@@H]1CCC=CCC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557969	0	51	-1.0	-38.36	381.07	3.23	-35.13
COC(=O)C1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025557970	0	33	-1.0	-40.38	306.27	1.08	-39.30
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025557971	0	33	-1.0	-36.60	301.57	3.23	-33.37
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=NNC=C2)=CC=C1F	REAL300025557972	0	31	-1.0	-46.99	284.48	1.17	-45.82
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C2=NNC=N2)=N1	REAL300025557973	0	32	-1.0	-42.87	303.48	0.39	-42.48
C=CCN(C)C1=CC=C(S(N)(=O)=O)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557974	0	41	-1.0	-46.43	359.21	-2.08	-48.51
O=C(COC1=CC=CC=C1)NC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557975	0	42	-1.0	-41.13	362.27	4.01	-37.12
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC(=O)N1CCCCC1	REAL300025557976	0	43	-1.0	-38.83	346.14	3.37	-35.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1	REAL300025557977	0	33	-1.0	-39.18	317.14	1.53	-37.65
O=C(NCC1=NC(=O)O[N-]1)C1=C2N=CNC2=CC(Br)=C1	REAL300025557978	0	27	-1.0	-45.66	267.57	1.47	-44.19
O=C(NCC1=NC(=O)O[N-]1)C1=C2NC=NC2=CC(Br)=C1	REAL300025557978	1	27	-1.0	-37.59	266.10	1.45	-36.14
CN(CC1=CC=CO1)C(=O)NCC(=O)NCC1=NC(=O)O[N-]1	REAL300025557979	0	36	-1.0	-42.71	319.04	-0.55	-43.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300025557980	0	37	-1.0	-41.39	332.73	3.67	-37.72
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NCC3=NC(=O)O[N-]3)NN=C2C1	REAL300025557981	0	45	-1.0	-38.17	367.05	0.66	-37.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1	REAL300025557982	0	42	-1.0	-38.83	368.26	4.16	-34.67
O=C(CC1=CC=C2NC(=O)CCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025557983	0	35	-1.0	-40.65	305.58	0.92	-39.73
CSC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025557984	0	30	-1.0	-35.63	284.87	2.59	-33.04
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557985	0	34	-1.0	-42.09	296.77	2.83	-39.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NN1C1=NC=CC=C1Cl	REAL300025557986	0	30	-1.0	-39.68	300.95	3.44	-36.24
O=C(NCC1=NC(=O)O[N-]1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300025557987	0	34	-1.0	-37.78	306.97	2.14	-35.64
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557988	0	38	-1.0	-42.97	324.34	-0.02	-42.99
O=C(NCC1=NC(=O)O[N-]1)C(O)C1=CC=C(F)C(Cl)=C1F	REAL300025557989	0	28	-1.0	-40.50	276.38	0.50	-40.00
O=C(CCC1=C(Br)C=CS1)NCC1=NC(=O)O[N-]1	REAL300025557990	0	27	-1.0	-35.98	276.83	2.17	-33.81
O=C(CC1=C(Br)C=C2N=CNC2=C1)NCC1=NC(=O)O[N-]1	REAL300025557991	0	30	-1.0	-43.27	289.09	1.85	-41.42
O=C(CC1=C(Br)C=C2NC=NC2=C1)NCC1=NC(=O)O[N-]1	REAL300025557991	1	30	-1.0	-43.10	288.94	1.85	-41.25
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025557992	0	45	-1.0	-40.01	356.48	3.96	-36.05
CC(C)OC1=CC=C(Cl)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557993	0	33	-1.0	-44.21	302.50	1.85	-42.36
C=CCOC1=CC=C(Cl)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025557994	0	31	-1.0	-44.56	297.47	1.83	-42.73
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=CC=CC=C2F)=NO1	REAL300025557995	0	32	-1.0	-43.75	293.72	2.53	-41.22
O=C(CCCCCC(=O)NC1=CC=CC=C1)NCC1=NC(=O)O[N-]1	REAL300025557996	0	43	-1.0	-45.32	365.42	3.13	-42.19
CS(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025557997	0	30	-1.0	-43.56	294.30	-0.90	-44.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1C(F)(F)F	REAL300025557998	0	30	-1.0	-35.44	289.98	3.10	-32.34
NC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=C(F)C(Br)=C1F	REAL300025557999	0	26	-1.0	-32.78	263.46	-0.01	-32.79
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CC2CCC1CC2	REAL300025558000	0	54	-1.0	-39.20	404.36	2.44	-36.76
C[C@@H]1C[C@H]2[C@H](C[C@H](C(=O)NCC3=NC(=O)O[N-]3)N2C(=O)OC(C)(C)C)O1	REAL300025558001	0	49	-1.0	-40.19	384.18	2.11	-38.08
CC(C)(C)OC(=O)N1CCC(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CO2)CC1	REAL300025558002	0	50	-1.0	-42.13	408.82	0.32	-41.81
CC(C)(C)OC(=O)NCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NO1	REAL300025558003	0	40	-1.0	-40.19	348.27	-1.07	-41.26
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NC2C(=O)NCC1=NC(=O)O[N-]1	REAL300025558004	0	46	-1.0	-49.66	377.88	-0.93	-50.59
CN(C)C1=CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025558005	0	38	-1.0	-39.62	319.49	3.72	-35.90
COC1(CC(=O)NCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025558006	0	45	-1.0	-43.36	367.95	0.82	-42.54
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558007	0	45	-1.0	-36.68	354.99	3.17	-33.51
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N1C=C(C(=O)NCC2=NC(=O)O[N-]2)N=N1	REAL300025558008	0	50	-1.0	-44.02	412.13	1.01	-43.01
CN1N=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C21	REAL300025558009	0	36	-1.0	-36.36	312.81	2.15	-34.21
CC(C)(C)OC(=O)N[C@]1(C(=O)NCC2=NC(=O)O[N-]2)C[C@@H]2CC[C@@H](C2)C1	REAL300025558010	0	51	-1.0	-39.64	371.79	3.09	-36.55
O=C(NCC1=NC(=O)O[N-]1)C12CCC(C(F)(F)F)(CC1)C2	REAL300025558011	0	34	-1.0	-35.61	294.36	2.43	-33.18
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558012	0	44	-1.0	-44.73	356.12	0.21	-44.52
CC(C)(C)OC(=O)NCC12CC(C(=O)NCC3=NC(=O)O[N-]3)(CO1)CCC2	REAL300025558013	0	52	-1.0	-38.83	401.70	0.27	-38.56
COC1=CC=C(C=CC(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1OC	REAL300025558014	0	40	-1.0	-40.84	349.59	1.52	-39.32
CC(C)(C)OC(=O)N1C=COCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558015	0	40	-1.0	-41.15	332.77	0.76	-40.39
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC2(CC(F)(F)C2)C1	REAL300025558016	0	48	-1.0	-40.89	396.23	2.16	-38.73
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CC(C)(C)C1	REAL300025558017	0	50	-1.0	-38.75	393.24	1.25	-37.50
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)(C2CC2)C1	REAL300025558018	0	48	-1.0	-39.84	377.76	3.70	-36.14
CC=CC1=CC=C(OCC(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025558019	0	39	-1.0	-42.17	336.68	3.35	-38.82
CC(C)(C)OC(=O)NC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025558020	0	48	-1.0	-44.86	394.58	2.98	-41.88
CC(C)(C)OC(=O)NC1CCOC(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025558021	0	48	-1.0	-40.90	381.70	0.88	-40.02
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NCC1=NC(=O)O[N-]1	REAL300025558022	0	48	-1.0	-37.94	367.13	2.32	-35.62
CC(C)(C)OC(=O)NC1CC2(C1)CCC(C(=O)NCC1=NC(=O)O[N-]1)CC2	REAL300025558023	0	54	-1.0	-40.77	416.77	2.72	-38.05
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCOC2)N=C1Cl	REAL300025558024	0	31	-1.0	-37.06	282.76	-0.26	-37.32
O=C(NCC1=NC(=O)O[N-]1)C1CCC(OC2=CC=CC=C2)CC1	REAL300025558025	0	41	-1.0	-40.13	326.68	3.54	-36.59
CC1=NN=C(CC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)O1	REAL300025558026	0	35	-1.0	-42.82	316.03	-1.57	-44.39
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCC3=NC(=O)O[N-]3)C2)CC1	REAL300025558027	0	51	-1.0	-42.34	389.55	3.48	-38.86
CC(C)(C)OC(=O)N1CC2=CC=NN2CC(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025558028	0	48	-1.0	-44.10	386.34	1.97	-42.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC=C2C=C1	REAL300025558029	0	30	-1.0	-39.25	285.61	3.83	-35.42
O=C(NCC1=NC(=O)O[N-]1)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300025558030	0	36	-1.0	-39.21	317.38	4.82	-34.39
CC1=CC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CN=C2C(F)=C1	REAL300025558031	0	32	-1.0	-40.74	290.02	2.17	-38.57
CC(C)(C)OC1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025558032	0	37	-1.0	-36.45	322.78	2.79	-33.66
COC1=C2C=C(C(=O)NCC3=NC(=O)O[N-]3)NC2=C(C)C=C1	REAL300025558033	0	35	-1.0	-38.57	305.57	0.93	-37.64
CCCCOC1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025558034	0	40	-1.0	-37.96	340.10	3.54	-34.42
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025558035	0	41	-1.0	-52.62	358.84	-0.57	-53.19
COC1=NC2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025558036	0	33	-1.0	-38.70	294.35	-0.06	-38.76
O=C(NCC1=NC(=O)O[N-]1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300025558037	0	34	-1.0	-41.18	318.05	1.81	-39.37
CCCC(CCC1=CC=CC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558038	0	42	-1.0	-36.80	343.88	5.36	-31.44
O=C(CCC1=CC=C2CCOCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025558039	0	38	-1.0	-37.72	320.86	2.62	-35.10
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)N=C1Br	REAL300025558040	0	26	-1.0	-41.00	258.04	0.39	-40.61
CN(C)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025558041	0	34	-1.0	-35.72	301.53	2.31	-33.41
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300025558042	0	28	-1.0	-38.30	269.15	0.90	-37.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C(F)=C1Br	REAL300025558043	0	27	-1.0	-34.17	280.93	2.71	-31.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300025558044	0	32	-1.0	-37.09	310.73	3.17	-33.92
N#CC1=CC=C(C2=C(C(=O)NCC3=NC(=O)O[N-]3)N=CO2)C=C1	REAL300025558045	0	31	-1.0	-41.97	297.30	-0.17	-42.14
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558046	0	48	-1.0	-44.21	387.02	3.48	-40.73
COC(=O)C1CC(CCC(=O)NCC2=NC(=O)O[N-]2)CN1C(=O)OC(C)(C)C	REAL300025558047	0	53	-1.0	-44.86	430.95	3.56	-41.30
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300025558048	0	34	-1.0	-43.96	313.09	3.14	-40.82
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558049	0	44	-1.0	-36.58	363.48	1.44	-35.14
CC(C)(C)C1=CC=NC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=NN21	REAL300025558050	0	38	-1.0	-46.97	319.30	2.45	-44.52
O=C(NCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300025558051	0	34	-1.0	-36.35	305.33	3.67	-32.68
O=C(CCC1=CC=CC(Br)=C1F)NCC1=NC(=O)O[N-]1	REAL300025558052	0	30	-1.0	-38.56	293.20	3.17	-35.39
CC(C)(C)OC(=O)NC(CC1=CSC=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558053	0	44	-1.0	-35.63	366.14	0.93	-34.70
O=C(NCC1=NC(=O)O[N-]1)C(C1=CC=CC(C(F)(F)F)=C1)C1CCCCC1	REAL300025558054	0	46	-1.0	-35.99	381.91	6.20	-29.79
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCC3=NC(=O)O[N-]3)C[C@@H]12	REAL300025558055	0	42	-1.0	-39.16	350.67	0.51	-38.65
CC(C)(C)OC(=O)N[C@H](C(=O)NCC1=NC(=O)O[N-]1)[C@@H]1CC2=CC=CC=C2O1	REAL300025558056	0	49	-1.0	-39.40	400.23	2.28	-37.12
COC1=CC(Br)=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025558057	0	28	-1.0	-37.14	272.99	1.06	-36.08
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558058	0	42	-1.0	-46.41	348.02	0.70	-45.71
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558059	0	45	-1.0	-41.14	367.66	2.35	-38.79
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)C12COC2	REAL300025558060	0	46	-1.0	-41.42	363.12	0.93	-40.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CN(C1CCC(=O)NC1=O)C2=O	REAL300025558061	0	42	-1.0	-44.19	359.83	-0.60	-44.79
O=C(NCC1=NC(=O)O[N-]1)C1=C2CN(C3CCC(=O)NC3=O)C(=O)C2=CC=C1	REAL300025558062	0	42	-1.0	-43.13	358.26	-0.68	-43.81
CC1(C)OC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C2NC1=O	REAL300025558063	0	36	-1.0	-37.78	311.46	-0.39	-38.17
CN1N=CC2=NC(C(F)F)=C(C(=O)NCC3=NC(=O)O[N-]3)C=C21	REAL300025558064	0	32	-1.0	-38.52	290.95	-0.01	-38.53
COC(=O)C1=CC=CC2=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC=C12	REAL300025558065	0	36	-1.0	-38.57	311.93	3.78	-34.79
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=C(CCCNC2=O)S1	REAL300025558066	0	32	-1.0	-41.97	290.67	-0.69	-42.66
O=C(NCC1=NC(=O)O[N-]1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300025558067	0	28	-1.0	-45.87	275.74	0.23	-45.64
CCOCC(NC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558068	0	44	-1.0	-37.13	364.70	-1.17	-38.30
CC(C)(C)OC(=O)N1CC(CC(=O)NCC2=NC(=O)O[N-]2)OCC12CCC2	REAL300025558069	0	52	-1.0	-39.70	401.78	2.59	-37.11
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)SC(C(C)NC(=O)OC(C)(C)C)=N1	REAL300025558070	0	46	-1.0	-36.96	393.78	0.20	-36.76
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)NCC3=NC(=O)O[N-]3)C2)C1	REAL300025558071	0	51	-1.0	-46.69	391.66	3.43	-43.26
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025558072	0	47	-1.0	-38.31	370.09	2.31	-36.00
CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025558073	0	51	-1.0	-40.62	390.31	3.76	-36.86
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025558074	0	44	-1.0	-38.85	351.37	0.92	-37.93
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NCC2=NC(=O)O[N-]2)O[C@@H]2COC[C@H]21	REAL300025558075	0	50	-1.0	-39.70	389.50	0.38	-39.32
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025558076	0	45	-1.0	-38.60	369.59	1.22	-37.38
CC(C)(C)OC(=O)N1CCC2CC(CC(=O)NCC3=NC(=O)O[N-]3)CCC2C1	REAL300025558077	0	57	-1.0	-40.22	423.11	4.73	-35.49
CCOC(=O)C1(C(=O)NCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)C1	REAL300025558078	0	53	-1.0	-43.78	417.24	3.79	-39.99
COC1=CC=CC2=C1CC(C(=O)NCC1=NC(=O)O[N-]1)N2C(=O)OC(C)(C)C	REAL300025558079	0	49	-1.0	-45.16	397.84	3.30	-41.86
CC(C)(C)OC(=O)NC(C(=O)NCC1=NC(=O)O[N-]1)(C1CC1)C(F)(F)F	REAL300025558080	0	44	-1.0	-40.15	362.13	1.48	-38.67
CC(C)(C)OC(=O)N1CCC(C(=O)NCC2=NC(=O)O[N-]2)C12CCC2	REAL300025558081	0	48	-1.0	-38.60	370.60	2.17	-36.43
CN1N=C2CCN(C(=O)OC(C)(C)C)CC2=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558082	0	48	-1.0	-43.46	392.82	1.82	-41.64
CC(C)C(NC(=O)OC(C)(C)C)(C(=O)NCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025558083	0	46	-1.0	-34.30	363.30	1.56	-32.74
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025558084	0	38	-1.0	-42.96	325.15	-0.06	-43.02
O=C(NCC1=NC(=O)O[N-]1)C1=C(F)C=C(Br)C=C1[N+](=O)[O-]	REAL300025558085	0	26	-1.0	-41.29	277.23	2.49	-38.80
CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N(C)C	REAL300025558086	0	38	-1.0	-43.25	323.75	-0.50	-43.75
CCC1=C(C(=O)NCC2=NC(=O)O[N-]2)N2C=C(C)SC2=N1	REAL300025558087	0	33	-1.0	-36.86	297.25	2.81	-34.05
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558088	0	45	-1.0	-44.22	354.97	3.09	-41.13
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300025558089	0	27	-1.0	-34.83	272.45	2.46	-32.37
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025558090	0	35	-1.0	-43.80	315.52	-2.71	-46.51
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=C(C(F)(F)F)C=C2S1	REAL300025558091	0	30	-1.0	-36.79	299.24	3.45	-33.34
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)NCC1=NC(=O)O[N-]1	REAL300025558092	0	37	-1.0	-36.96	328.90	4.52	-32.44
CON(CCC(=O)NCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025558093	0	41	-1.0	-38.74	344.68	1.11	-37.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=NNN=C2C(Br)=C1	REAL300025558094	0	26	-1.0	-36.54	262.24	-1.08	-37.62
CC(C)(C)OC(=O)N1CCC(O)(C(C)(C)C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025558095	0	51	-1.0	-45.00	391.83	0.52	-44.48
CC(C)(C)OC(=O)NC1=NOC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025558096	0	37	-1.0	-36.90	321.59	-0.34	-37.24
CC(C)OCC1=CC=CC=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025558097	0	40	-1.0	-37.85	337.15	3.21	-34.64
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300025558098	0	31	-1.0	-37.92	302.30	3.85	-34.07
CC1=C(Br)C(C(F)(F)F)=NN1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025558099	0	30	-1.0	-39.79	305.51	1.06	-38.73
O=C(NCC1=NC(=O)O[N-]1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300025558100	0	40	-1.0	-36.45	320.14	4.62	-31.83
O=C(NCC1=NC(=O)O[N-]1)C1CC(C2=CC=CC(Br)=C2)=NO1	REAL300025558101	0	32	-1.0	-39.48	310.46	3.00	-36.48
O=C(CN1C=C(I)C=N1)NCC1=NC(=O)O[N-]1	REAL300025558102	0	24	-1.0	-40.16	254.20	0.24	-39.92
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C2C=C(Br)C=CN12	REAL300025558103	0	27	-1.0	-37.31	267.90	1.97	-35.34
O=C(NCC1=NC(=O)O[N-]1)C1=C(Cl)C=NN1C1CCCC1	REAL300025558104	0	34	-1.0	-35.61	308.53	2.10	-33.51
O=C(CCC1=C(C2=CC=CC=C2)NC2=C(Cl)C=CC=C12)NCC1=NC(=O)O[N-]1	REAL300025558105	0	44	-1.0	-37.79	392.51	6.45	-31.34
O=C(NCC1=NC(=O)O[N-]1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300025558106	0	34	-1.0	-47.58	309.05	-2.59	-50.17
CC(C)(C)OC(=O)NC1CC2CCC1(C(=O)NCC1=NC(=O)O[N-]1)C2(C)C	REAL300025558107	0	54	-1.0	-43.22	398.89	2.89	-40.33
CC(C)(C)OC(=O)NC1(C(=O)NCC2=NC(=O)O[N-]2)CC2CCC(C2)C1	REAL300025558108	0	51	-1.0	-39.04	364.34	2.46	-36.58
NC1=NC(Cl)=C(Cl)N=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558109	0	24	-1.0	-34.56	255.21	-2.60	-37.16
COC1=C(Cl)C=C(C(=O)NCC2=NC(=O)O[N-]2)C2=NC=CC=C21	REAL300025558110	0	33	-1.0	-42.58	309.11	1.90	-40.68
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025558111	0	39	-1.0	-41.42	336.94	1.14	-40.28
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025558112	0	45	-1.0	-45.75	366.63	2.11	-43.64
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025562507	0	43	-1.0	-47.55	362.81	4.59	-42.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(OCC2CC2)C(Cl)=C1	REAL300025562508	0	37	-1.0	-44.52	340.00	1.35	-43.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(CC2=CC=CC(F)=C2)=N1	REAL300025562509	0	36	-1.0	-46.12	340.30	3.09	-43.03
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC(C#N)=C1	REAL300025562510	0	38	-1.0	-52.49	344.21	3.49	-49.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=NSN=C2C([N+](=O)[O-])=C1	REAL300025562511	0	30	-1.0	-49.85	294.63	0.65	-49.20
CC1=CC(F)=CC=C1N1C=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025562512	0	37	-1.0	-46.09	332.40	3.71	-42.38
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562513	0	39	-1.0	-45.86	350.14	4.86	-41.00
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1OC(F)F	REAL300025562514	0	31	-1.0	-47.79	301.66	3.00	-44.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CNN=C1C1=CC=C2OCOC2=C1	REAL300025562515	0	37	-1.0	-52.37	325.19	0.20	-52.17
CCC1=NC2=CC=CC=C2N1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562516	0	39	-1.0	-54.56	334.18	3.61	-50.95
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CS2)S1	REAL300025562517	0	31	-1.0	-44.62	306.64	3.42	-41.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SC2CC2)C=C1	REAL300025562518	0	35	-1.0	-45.84	314.44	4.17	-41.67
O=C(CCC1=CC(F)=CC=C1Br)NCCC1=NC(=O)O[N-]1	REAL300025562519	0	33	-1.0	-44.89	312.95	3.57	-41.32
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300025562520	0	49	0.0	-61.74	376.95	5.54	-56.20
CCCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1CCCC1	REAL300025562521	0	46	-1.0	-46.44	372.33	4.18	-42.26
CC(C)COC1=NC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025562522	0	39	-1.0	-44.37	349.92	1.26	-43.11
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CN=C1SC1=CC=CC=C1	REAL300025562523	0	36	-1.0	-48.58	333.66	2.29	-46.29
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300025562524	0	39	-1.0	-43.60	360.17	1.81	-41.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300025562525	0	34	-2.0	-83.97	333.38	-1.08	-85.05
CC1=CC(N2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC2=O)=CC=C1F	REAL300025562526	0	41	-1.0	-47.95	349.34	3.17	-44.78
CCC(CC)N1N=C(C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562527	0	42	-1.0	-44.46	346.13	2.92	-41.54
CC1=CC(Br)=CC(Cl)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562528	0	30	-1.0	-43.51	303.59	2.96	-40.55
CC(CCCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562529	0	42	-1.0	-45.87	348.50	5.12	-40.75
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(OC(F)F)=CC(OC(F)F)=C1	REAL300025562530	0	35	-1.0	-49.31	321.75	0.69	-48.62
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2=C(Cl)C=CC=C21	REAL300025562531	0	34	-1.0	-46.19	305.98	3.78	-42.41
O=C(CC1=CSC(NC(=O)C2=CC=CC(O)=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025562532	0	41	-1.0	-55.41	374.44	-0.40	-55.81
COC1=CC=C(S(N)(=O)=O)C(OC)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562533	0	40	-1.0	-52.64	354.82	-3.90	-56.54
CS(=O)(=O)C1=CC=CC(Cl)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562534	0	33	-1.0	-55.61	312.98	0.70	-54.91
CN(C)C1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N(C)C2=NC=N1	REAL300025562535	0	40	-1.0	-46.71	335.44	2.36	-44.35
O=C(CCC1=CC=C2NC=CC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025562536	0	37	-1.0	-48.48	320.69	3.07	-45.41
CCC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(OC)C=C1	REAL300025562537	0	40	-1.0	-47.22	332.83	2.75	-44.47
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(F)C=C2F)CCC1	REAL300025562538	0	37	-1.0	-48.85	321.63	3.92	-44.93
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C(=O)C1=CC=C(Cl)C=C1	REAL300025562539	0	38	-1.0	-43.63	341.74	3.86	-39.77
O=C(CCCC1=CC2=CC=CC=C2C=C1)NCCC1=NC(=O)O[N-]1	REAL300025562540	0	42	-1.0	-49.59	356.94	6.06	-43.53
CC(C)C(NS(C)(=O)=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562541	0	37	-1.0	-60.75	320.20	-3.21	-63.96
O=C(NCCC1=NC(=O)O[N-]1)C12CCC(=O)N1C1=CC=CC=C1C(=O)N2C1CC1	REAL300025562542	0	47	-1.0	-52.42	383.44	3.52	-48.90
CC(C)(C)OCC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562543	0	43	-1.0	-46.30	347.34	3.59	-42.71
CC1=C(C)N2C(=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=O)S1	REAL300025562544	0	35	-1.0	-49.74	312.19	2.13	-47.61
COC1=CC=C(SC)C(OC)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562545	0	39	-1.0	-52.56	347.77	1.40	-51.16
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=C(Cl)C=C1	REAL300025562546	0	37	-1.0	-46.29	341.68	3.66	-42.63
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300025562547	0	36	-1.0	-43.77	339.87	3.19	-40.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CN=CC=N2)C=N1	REAL300025562548	0	34	-1.0	-47.27	307.12	-0.18	-47.45
CCCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562549	0	42	-1.0	-45.85	371.64	5.64	-40.21
O=C(NCCC1=NC(=O)O[N-]1)C1(F)CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300025562550	0	45	-1.0	-45.37	391.09	3.56	-41.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2OCC(=O)NC2=C1	REAL300025562551	0	32	-1.0	-47.79	289.05	-4.33	-52.12
O=C(CC(O)C1=CC(Cl)=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025562552	0	34	-1.0	-47.64	329.50	1.77	-45.87
O=C(CC(O)C1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025562553	0	34	-1.0	-48.44	312.76	1.28	-47.16
CN1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1=CC=CC=C1	REAL300025562554	0	37	-1.0	-48.18	318.98	2.58	-45.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300025562555	0	33	-1.0	-46.18	308.55	3.04	-43.14
CC(C)(C)SC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL300025562556	0	39	-1.0	-47.12	334.47	3.87	-43.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1Cl	REAL300025562557	0	30	-1.0	-45.74	294.53	3.04	-42.70
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(C2=CC=C(Br)C=C2F)=N1	REAL300025562558	0	33	-1.0	-43.39	329.28	0.68	-42.71
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562559	0	42	-1.0	-50.92	357.80	2.61	-48.31
CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300025562560	0	50	-1.0	-46.51	382.65	4.09	-42.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1	REAL300025562561	0	38	-1.0	-47.79	348.73	4.90	-42.89
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(C2=CC=CC=C2Cl)=N1	REAL300025562562	0	33	-1.0	-45.87	315.86	1.15	-44.72
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC2=NC(C)=NC(N)=C12	REAL300025562563	0	36	-1.0	-44.85	317.84	0.51	-44.34
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1OC(F)(F)F	REAL300025562564	0	31	-1.0	-50.04	287.13	2.59	-47.45
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562565	0	39	-1.0	-50.11	347.28	-1.14	-51.25
CN(C)C(=O)COC1=CC=CC=C1C(F)(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562566	0	44	-1.0	-55.30	382.65	3.19	-52.11
O=C(NCCC1=NC(=O)O[N-]1)C1CC(=O)N(C2=C(F)C=CC=C2F)C1	REAL300025562567	0	38	-1.0	-53.13	343.08	2.99	-50.14
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1	REAL300025562568	0	32	-1.0	-42.39	305.76	2.99	-39.40
COCCOC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL300025562569	0	37	-1.0	-49.94	326.17	-1.53	-51.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1	REAL300025562570	0	42	-1.0	-49.97	347.24	1.77	-48.20
COC1=CC(C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1OC	REAL300025562571	0	47	-1.0	-47.76	401.30	2.00	-45.76
COCC1=NN=C(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)O1	REAL300025562572	0	39	-1.0	-56.83	349.86	-2.75	-59.58
CC1=CSC2=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C(=O)N12	REAL300025562573	0	32	-1.0	-50.85	293.38	1.44	-49.41
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1	REAL300025562574	0	34	-1.0	-47.40	338.72	3.91	-43.49
CC(CC(=O)NCCC1=NC(=O)O[N-]1)CC1=CC=C(Cl)C=C1	REAL300025562575	0	39	-1.0	-47.50	340.20	4.72	-42.78
CC1=CC=C(S(=O)(=O)NC(C(=O)NCCC2=NC(=O)O[N-]2)C(C)O)C=C1	REAL300025562576	0	45	-1.0	-53.78	393.25	-3.38	-57.16
O=C(NCCC1=NC(=O)O[N-]1)C(O)C(O)C1=NC2=CC=CC=C2S1	REAL300025562577	0	37	-1.0	-50.34	338.31	-2.19	-52.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NN=CO2)=C1	REAL300025562578	0	32	-1.0	-56.49	294.21	-2.55	-59.04
CC(O)C(NC(=O)C1CCCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562579	0	44	-1.0	-44.31	351.22	-1.70	-46.01
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)S1	REAL300025562580	0	36	-1.0	-46.21	329.25	3.08	-43.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(Br)=C1	REAL300025562581	0	27	-1.0	-42.71	285.89	2.76	-39.95
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1O	REAL300025562582	0	31	-1.0	-46.43	291.16	1.08	-45.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300025562582	1	30	-2.0	-100.19	287.26	2.09	-98.10
CC(C)C1=CC=CC(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)=C1	REAL300025562583	0	43	-1.0	-44.53	367.18	5.20	-39.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(Cl)=C1F	REAL300025562584	0	27	-1.0	-49.71	269.86	2.15	-47.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CN=C1C1=CC=CC=C1	REAL300025562585	0	35	-1.0	-45.77	306.94	3.07	-42.70
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)N=CS1	REAL300025562586	0	23	-1.0	-46.83	248.39	-0.79	-47.62
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1N=NN=C1C(C)(C)C	REAL300025562587	0	40	-1.0	-56.80	329.61	0.54	-56.26
CC(C)OC1=CC=C(S(C)(=O)=O)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562588	0	43	-1.0	-56.51	371.05	1.16	-55.35
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300025562589	0	37	-1.0	-47.32	355.31	4.08	-43.24
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=C(F)C=C1	REAL300025562590	0	37	-1.0	-46.62	331.37	3.21	-43.41
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=C(C)C=C1	REAL300025562591	0	40	-1.0	-47.54	346.36	3.82	-43.72
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC(Cl)=C1	REAL300025562592	0	37	-1.0	-46.12	340.13	3.63	-42.49
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC(C)=CC(C)=C1	REAL300025562593	0	43	-1.0	-47.42	367.77	4.46	-42.96
CCOC1=CC=CC=C1C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562594	0	44	-1.0	-49.08	373.33	5.53	-43.55
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(OC2CCCCC2)=C1	REAL300025562595	0	43	-1.0	-47.67	354.31	2.05	-45.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1	REAL300025562596	0	38	-1.0	-45.30	360.50	6.14	-39.16
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C(C)C1CC1	REAL300025562597	0	40	-1.0	-47.80	341.96	2.89	-44.91
CC1=CC=C(SC2CCCC2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562598	0	44	-1.0	-48.58	362.15	5.88	-42.70
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562599	0	47	-1.0	-49.96	389.74	2.47	-47.49
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=CC=C1C(F)(F)F	REAL300025562600	0	29	-1.0	-49.50	270.83	0.87	-48.63
CC(C)(C)OC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562601	0	42	-1.0	-46.95	352.94	4.27	-42.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1C(F)(F)F	REAL300025562602	0	30	-1.0	-48.05	294.75	3.20	-44.85
COC1=CC=CC(C2C(C(=O)NCCC3=NC(=O)O[N-]3)CC(=O)N2C2CC2)=C1	REAL300025562603	0	49	-1.0	-50.55	400.10	3.72	-46.83
CCOC1=CC(Cl)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562604	0	34	-1.0	-48.41	309.20	3.54	-44.87
CC1=CN2C(=NC=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=O)S1	REAL300025562605	0	32	-1.0	-49.96	298.81	1.65	-48.31
N#CC1=CC=CC=C1OC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562606	0	39	-1.0	-58.99	351.49	5.97	-53.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(OCC(F)F)=CC=N1	REAL300025562607	0	33	-1.0	-53.05	305.12	0.39	-52.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(OC2=CC=CC=C2)C=N1	REAL300025562608	0	36	-1.0	-43.98	326.96	0.09	-43.89
CN1C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2)=N1	REAL300025562609	0	37	-1.0	-52.16	322.02	2.86	-49.30
COC1=C2C(CC(=O)NCCC3=NC(=O)O[N-]3)=CNC2=CC=C1	REAL300025562610	0	38	-1.0	-52.19	327.98	1.60	-50.59
CCCCCCCCC(C)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562611	0	50	-1.0	-45.07	393.36	5.91	-39.16
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2CCCCC2)=N1	REAL300025562612	0	42	-1.0	-43.39	353.31	3.28	-40.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(OCO2)C([N+](=O)[O-])=C1	REAL300025562613	0	32	-1.0	-45.81	296.77	1.21	-44.60
CC1=CC(Br)=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562614	0	33	-1.0	-46.69	305.99	3.32	-43.37
COC1=CC=C(N2N=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C)C=C1	REAL300025562615	0	41	-1.0	-47.63	354.44	2.44	-45.19
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CC=C(Cl)C=C2)CC1	REAL300025562616	0	37	-1.0	-48.63	337.43	4.71	-43.92
COC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCCC2)C=C1OC	REAL300025562617	0	48	-1.0	-47.43	380.20	4.03	-43.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CC=CC(OC(F)(F)F)=C2)S1	REAL300025562618	0	38	-1.0	-45.56	359.40	4.04	-41.52
CC1=CC(F)=C2NC(=O)C=C(C(=O)NCCC3=NC(=O)O[N-]3)C2=C1	REAL300025562619	0	36	-1.0	-43.63	316.92	1.37	-42.26
O=C(CC1=CC=CC(OCC2=CC=CN=C2)=C1)NCCC1=NC(=O)O[N-]1	REAL300025562620	0	43	-1.0	-50.93	374.04	3.71	-47.22
COCCC1=NN=C(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)O1	REAL300025562621	0	42	-1.0	-54.81	371.36	-1.98	-56.79
CCC(C)OC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL300025562622	0	39	-1.0	-47.72	333.45	0.93	-46.79
CC(=O)C1=CC=CC(OCC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=NO2)=C1	REAL300025562623	0	42	-1.0	-53.15	375.09	2.64	-50.51
CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562624	0	39	-1.0	-45.83	344.90	4.59	-41.24
CC(C)(C)OC(=O)N1CCCC(COCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025562625	0	54	-1.0	-59.50	428.70	3.59	-55.91
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562626	0	44	-1.0	-48.11	366.62	6.01	-42.10
CCC1=C2NC3=C(CCOC3(CC)CC(=O)NCCC3=NC(=O)O[N-]3)C2=CC=C1	REAL300025562627	0	54	-1.0	-45.39	418.07	5.22	-40.17
CN1C(=O)CC(C(=O)NCCC2=NC(=O)O[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300025562628	0	41	-1.0	-48.41	367.65	3.47	-44.94
CC(C)CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(=O)N1	REAL300025562629	0	39	-1.0	-52.48	329.02	1.45	-51.03
CC1=CC=CC(C2=NOC(SCC(=O)NCCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025562630	0	39	-1.0	-48.62	362.03	1.98	-46.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=NC=C1F	REAL300025562631	0	26	-1.0	-44.94	264.59	0.37	-44.57
CC(=CC1=CC=CC=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562632	0	34	-1.0	-48.21	305.74	3.76	-44.45
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(F)C=C2F)CCCC1	REAL300025562633	0	40	-1.0	-42.18	329.34	4.77	-37.41
CC1=NC(COC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=NO1	REAL300025562634	0	39	-1.0	-55.33	346.13	0.33	-55.00
CCC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(C)(=O)=O	REAL300025562635	0	39	-1.0	-57.16	333.56	0.49	-56.67
CN1C(=O)CC(C(=O)NCCC2=NC(=O)O[N-]2)C1C1=CC=C(F)C=C1	REAL300025562636	0	41	-1.0	-46.46	351.46	2.96	-43.50
COC1=C(Br)SC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562637	0	28	-1.0	-42.81	287.17	0.59	-42.22
N#CC1=CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025562638	0	34	-1.0	-48.09	310.29	4.19	-43.90
O=C(NCCC1=NC(=O)O[N-]1)C1COC2=CC=C(Br)C=C21	REAL300025562639	0	32	-1.0	-48.82	303.00	1.84	-46.98
CN(C)S(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CO1	REAL300025562640	0	35	-1.0	-52.80	324.67	-2.45	-55.25
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=C(F)C=CC=C1F	REAL300025562641	0	30	-1.0	-45.63	286.39	2.34	-43.29
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(I)=C1	REAL300025562642	0	26	-1.0	-43.82	266.11	0.83	-42.99
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025562643	0	48	-1.0	-52.00	378.73	1.83	-50.17
COC1=CC=C(COCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562644	0	44	-1.0	-51.37	374.36	2.39	-48.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC2=CC=CN=C21	REAL300025562645	0	32	-1.0	-52.30	303.64	2.96	-49.34
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300025562646	0	45	-1.0	-48.66	380.49	6.00	-42.66
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562647	0	36	-1.0	-46.13	328.64	4.06	-42.07
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1CC(C)C	REAL300025562648	0	42	-1.0	-46.29	342.72	2.75	-43.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C2=CC=CN=C12	REAL300025562649	0	34	-1.0	-51.56	307.44	2.90	-48.66
O=C(CC1=CNC2=CC=C([N+](=O)[O-])C=C12)NCCC1=NC(=O)O[N-]1	REAL300025562650	0	36	-1.0	-55.15	327.94	2.94	-52.21
CC(C)NC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562651	0	40	-1.0	-51.41	341.83	1.50	-49.91
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NNC=N2)=C1	REAL300025562652	0	33	-1.0	-55.39	298.42	2.42	-52.97
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NN=CN2)=C1	REAL300025562652	1	33	-1.0	-60.90	296.92	2.74	-58.16
CC(C)(C)OC(=O)N1CCC(CCC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025562653	0	50	-1.0	-50.92	399.85	3.08	-47.84
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC=C1Cl	REAL300025562654	0	37	-1.0	-49.70	340.07	3.82	-45.88
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(Cl)=C2F)N=N1	REAL300025562655	0	33	-1.0	-49.06	321.18	1.83	-47.23
COC1=CC2=C(CC(=O)NCCC3=NC(=O)O[N-]3)C=CC=C2C=C1	REAL300025562656	0	40	-1.0	-51.23	339.94	3.64	-47.59
CC(C)(C)OC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025562657	0	43	-1.0	-48.49	352.09	4.26	-44.23
O=C(NCCC1=NC(=O)O[N-]1)C1=C(N2C=CC=C2)SC2=C1CCC2	REAL300025562658	0	39	-1.0	-48.46	341.71	5.32	-43.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2CCOC2)=C1	REAL300025562659	0	38	-1.0	-47.52	318.05	2.14	-45.38
O=C(CN1C=NC(C2=CC=CC=C2)=N1)NCCC1=NC(=O)O[N-]1	REAL300025562660	0	36	-1.0	-59.69	324.03	3.96	-55.73
CC(=O)N(CCC1=CC=CC=C1)CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562661	0	43	-1.0	-54.31	362.45	3.89	-50.42
CC(SC1=NC2=CC=CC=C2S1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562662	0	36	-1.0	-46.65	338.44	3.27	-43.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(I)=CC=C2N1	REAL300025562663	0	31	-1.0	-44.62	304.80	2.58	-42.04
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562664	0	50	-1.0	-55.07	397.51	3.16	-51.91
CC1=CC(F)=CC=C1N1C=C(C(=O)NCCC2=NC(=O)O[N-]2)N=N1	REAL300025562665	0	36	-1.0	-43.98	322.61	2.03	-41.95
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2O1	REAL300025562666	0	36	-1.0	-46.82	318.07	3.38	-43.44
COC1=CC=CC(C2=NC(C)=C(C(=O)NCCC3=NC(=O)O[N-]3)N2)=C1	REAL300025562667	0	41	-1.0	-48.64	352.56	1.89	-46.75
O=C(CC1=CC=C(S(=O)(=O)CCO)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025562668	0	40	-1.0	-56.82	361.51	-2.69	-59.51
NS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025562669	0	31	-1.0	-50.44	293.47	-5.42	-55.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=C(Br)C=C2)C=N1	REAL300025562670	0	34	-1.0	-46.95	324.44	4.43	-42.52
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300025562671	0	40	-1.0	-48.10	362.12	3.60	-44.50
CN(C(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1)C1=CC=CC=C1	REAL300025562672	0	44	-1.0	-52.68	364.88	4.58	-48.10
O=C(CC1=CNC2=CC=CC(Br)=C12)NCCC1=NC(=O)O[N-]1	REAL300025562673	0	34	-1.0	-50.61	315.79	2.69	-47.92
COC1=CC=C(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562674	0	34	-1.0	-42.73	307.02	1.62	-41.11
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C(=O)C=C1	REAL300025562675	0	36	-1.0	-47.31	332.70	2.21	-45.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)NC2CC2)C=C1	REAL300025562676	0	38	-1.0	-51.06	331.32	1.56	-49.50
CC(C)CC(NC(=O)OCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562677	0	50	-1.0	-45.09	410.56	3.86	-41.23
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(OC)=C1O	REAL300025562678	0	36	-1.0	-47.24	312.66	-1.42	-48.66
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(C2=CN=CC3=NN=NN32)CC1	REAL300025562679	0	42	-1.0	-51.36	346.37	1.17	-50.19
N#CC1=CC(Cl)=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025562680	0	28	-1.0	-44.94	299.36	2.62	-42.32
O=C(NCCC1=NC(=O)O[N-]1)C12CCC(CC1Br)C2	REAL300025562681	0	34	-1.0	-47.28	295.42	2.54	-44.74
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025562682	0	30	-1.0	-44.46	282.76	2.72	-41.74
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=C(F)C=CC=C2F)=C1	REAL300025562683	0	37	-1.0	-51.18	336.30	5.29	-45.89
CCS(=O)(=O)C1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562684	0	42	-1.0	-51.99	371.49	1.45	-50.54
CC(C)CC1=CC=C(C(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562685	0	45	-1.0	-46.76	365.01	5.45	-41.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(Cl)C=C1F	REAL300025562686	0	27	-1.0	-44.90	270.41	2.18	-42.72
CCOC(=O)C1=CN=C(C)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562687	0	38	-1.0	-43.64	331.38	1.99	-41.65
O=C(COC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025562688	0	37	-1.0	-48.27	354.64	4.13	-44.14
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1CCC2=CC=CC=C21	REAL300025562689	0	39	-1.0	-46.38	320.44	1.90	-44.48
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1N1C=NC=N1	REAL300025562690	0	33	-1.0	-51.76	317.70	5.18	-46.58
CN1C(=O)OC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025562691	0	33	-1.0	-61.93	296.53	1.95	-59.98
N#CC1=CC=CC=C1OC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025562692	0	39	-1.0	-50.53	369.57	5.38	-45.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2CCCO2)S1	REAL300025562693	0	34	-1.0	-46.75	308.69	-0.32	-47.07
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC2=CC=CN=C21	REAL300025562694	0	32	-1.0	-52.20	288.79	2.42	-49.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1SC1CCCC1	REAL300025562695	0	43	-1.0	-45.67	368.91	5.87	-39.80
CC(=O)C1=CC=C(OC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025562696	0	43	-1.0	-49.10	374.54	4.90	-44.20
CC1=NC2=CC=NN2C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562697	0	35	-1.0	-45.28	308.34	1.38	-43.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OCC(F)F)=N1	REAL300025562698	0	33	-1.0	-46.39	307.57	-0.34	-46.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(N2CCOCC2)=C1	REAL300025562699	0	39	-1.0	-45.99	322.45	-1.47	-47.46
CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025562700	0	30	-1.0	-47.85	277.76	2.73	-45.12
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562701	0	43	-1.0	-46.04	353.08	-0.01	-46.05
O=C(CCCC1=CC(F)=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025562702	0	36	-1.0	-48.30	322.69	3.90	-44.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1	REAL300025562703	0	40	-1.0	-53.36	365.23	4.62	-48.74
COC1=CC=C(CC(C)C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562704	0	40	-1.0	-45.89	334.25	2.80	-43.09
COC(=O)CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562705	0	42	-1.0	-46.46	384.10	4.90	-41.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1	REAL300025562706	0	41	-1.0	-52.23	355.32	3.56	-48.67
CC(C)CC1=CC=C(CCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562707	0	48	-1.0	-47.40	392.03	6.49	-40.91
CC(C)(CCC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025562708	0	42	-1.0	-47.53	336.86	4.36	-43.17
COC1=CC=C(CCCC(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025562709	0	44	-1.0	-50.51	368.62	2.46	-48.05
CCS(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562710	0	36	-1.0	-55.16	325.44	-0.05	-55.21
CC1=CC=C(S(N)(=O)=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562711	0	35	-1.0	-52.40	307.74	-1.54	-53.94
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(N2CCCC2)=N1	REAL300025562712	0	37	-1.0	-43.68	314.94	1.48	-42.20
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN(CC(F)(F)F)C1	REAL300025562713	0	38	-1.0	-46.96	321.04	0.54	-46.42
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2C=CN=N2)=C1	REAL300025562714	0	33	-1.0	-59.95	295.70	1.45	-58.50
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(C(F)(F)F)=C1	REAL300025562715	0	30	-1.0	-43.28	303.30	3.14	-40.14
COC1=CC=C2C(=C1)OCC2CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562716	0	39	-1.0	-46.67	329.61	1.27	-45.40
CCC(C)N1N=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C1CC1	REAL300025562717	0	43	-1.0	-46.44	353.74	3.33	-43.11
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562718	0	40	-1.0	-45.24	362.31	3.14	-42.10
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1CCCC1	REAL300025562719	0	40	-1.0	-46.43	329.32	2.69	-43.74
CC1=NN(C2=CC=C(Br)C=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562720	0	37	-1.0	-47.95	343.67	3.91	-44.04
CCC1=CSC(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)C=N2)=N1	REAL300025562721	0	36	-1.0	-49.99	334.60	2.23	-47.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=CC=CC([N+](=O)[O-])=C12	REAL300025562722	0	33	-1.0	-68.08	298.67	3.28	-64.80
CC(C)(C)OC(=O)NC1(C)CCCCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562723	0	53	-1.0	-48.18	397.16	2.93	-45.25
CC(C)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C=C1	REAL300025562724	0	39	-1.0	-46.03	324.46	4.56	-41.47
N#CCOC1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562725	0	35	-1.0	-52.89	318.65	2.23	-50.66
CC1=CC=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CS2)N1C	REAL300025562726	0	37	-1.0	-47.52	332.51	1.99	-45.53
CN1C(=O)CCC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025562727	0	38	-1.0	-49.02	319.01	2.43	-46.59
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1CCOC1CCCCO1	REAL300025562728	0	48	-1.0	-47.86	394.27	2.04	-45.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC(F)=CC=C2N=C1	REAL300025562729	0	32	-1.0	-45.18	291.02	1.99	-43.19
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(OCC(F)F)=C1	REAL300025562730	0	33	-1.0	-51.85	305.56	-0.48	-52.33
O=C(CCC1=CC(Br)=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025562731	0	33	-1.0	-45.34	316.08	3.67	-41.67
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300025562732	0	37	-1.0	-47.54	356.93	4.33	-43.21
CCC(CC)N1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025562733	0	42	-1.0	-47.72	348.95	2.87	-44.85
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1CCCCC1	REAL300025562734	0	43	-1.0	-47.25	352.07	3.23	-44.02
CC(CC1=CC=CC=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562735	0	36	-1.0	-45.35	310.70	3.70	-41.65
O=C(CCCC(=O)C1=CC=C(Cl)C(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025562736	0	38	-1.0	-53.86	362.92	4.61	-49.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1OCC(F)F	REAL300025562737	0	33	-1.0	-57.29	303.19	0.75	-56.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(N2CCCC2=O)=CC=C1Cl	REAL300025562738	0	38	-1.0	-52.82	333.10	3.18	-49.64
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC=C1F	REAL300025562739	0	30	-1.0	-44.52	282.13	2.33	-42.19
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC(C2=CC(C)=CC=C2)=N1	REAL300025562740	0	40	-1.0	-46.47	344.49	3.25	-43.22
COC1=CC=CC=C1SCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562741	0	35	-1.0	-51.14	315.15	2.02	-49.12
CC(CC1=CC=CC(Cl)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562742	0	36	-1.0	-44.49	321.43	4.02	-40.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)F)N=C1	REAL300025562743	0	33	-1.0	-47.89	305.28	-0.48	-48.37
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=NC=C1	REAL300025562744	0	36	-1.0	-47.09	314.25	1.34	-45.75
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=[NH+]C=C1	REAL300025562744	1	37	0.0	-73.69	317.67	1.80	-71.89
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1OC(F)F	REAL300025562745	0	37	-1.0	-50.39	326.29	4.66	-45.73
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562746	0	39	-1.0	-50.81	347.78	2.20	-48.61
CC(C)(C)OC(=O)NCC1(CC(=O)NCCC2=NC(=O)O[N-]2)CCCCC1	REAL300025562747	0	56	-1.0	-52.52	417.37	2.77	-49.75
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2O1	REAL300025562748	0	36	-1.0	-51.35	315.35	3.32	-48.03
CCS(=O)(=O)C1=CC=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562749	0	39	-1.0	-58.04	350.08	0.63	-57.41
CCSC1=CC(Cl)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562750	0	34	-1.0	-46.29	317.20	3.90	-42.39
CC(C)CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)CCC1=O	REAL300025562751	0	40	-1.0	-42.55	336.08	1.21	-41.34
O=C(CCC(=O)C1=CC=C2NC(=O)CCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025562752	0	43	-1.0	-48.75	369.18	2.04	-46.71
CC1=CC(C)=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562753	0	33	-1.0	-47.08	299.16	3.40	-43.68
COCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025562754	0	41	-1.0	-49.19	351.06	2.35	-46.84
O=C(NCCC1=NC(=O)O[N-]1)C1CC1C1=CC(F)=C(F)C(F)=C1	REAL300025562755	0	34	-1.0	-46.76	314.86	3.75	-43.01
O=C(C=CC1=CC(F)=C(F)C(F)=C1)NCCC1=NC(=O)O[N-]1	REAL300025562756	0	31	-1.0	-46.41	296.82	2.93	-43.48
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300025562757	0	38	-1.0	-51.05	329.79	3.78	-47.27
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C(O)=C1	REAL300025562758	0	28	-1.0	-45.93	280.99	-0.17	-46.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C([O-])=C1	REAL300025562758	1	27	-2.0	-82.18	277.42	0.59	-81.59
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562759	0	41	-1.0	-48.63	353.79	4.72	-43.91
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1SC1=CC=CC=C1	REAL300025562760	0	38	-1.0	-50.46	352.84	5.45	-45.01
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2F)C=C1	REAL300025562761	0	34	-1.0	-44.89	314.44	2.74	-42.15
CC(C)(C)OC(=O)N1CCCC1C(=O)NCCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025562762	0	54	-1.0	-64.09	438.36	1.01	-63.08
O=C(CSC1=NC(C2=CC=CC=C2)=NO1)NCCC1=NC(=O)O[N-]1	REAL300025562763	0	36	-1.0	-48.73	340.63	1.32	-47.41
O=C(NCCC1=NC(=O)O[N-]1)C1=C2N=C(C3=CC=CS3)NC2=CC=C1	REAL300025562764	0	37	-1.0	-59.71	340.27	3.21	-56.50
O=C(NCCC1=NC(=O)O[N-]1)C1=C2NC(C3=CC=CS3)=NC2=CC=C1	REAL300025562764	1	37	-1.0	-50.72	339.19	3.25	-47.47
CC1=NC=CC(NCC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025562765	0	43	-1.0	-51.30	371.33	3.02	-48.28
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025562765	1	44	0.0	-68.27	374.46	3.47	-64.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300025562766	0	32	-2.0	-85.02	313.24	-2.25	-87.27
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562767	0	31	-2.0	-85.94	287.01	-0.49	-86.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300025562768	0	27	-2.0	-85.19	272.93	0.11	-85.08
CC(C)(C)OC(=O)N1CC2CC(C(=O)NCCC3=NC(=O)O[N-]3)CC(C1)C2=O	REAL300025562769	0	53	-1.0	-47.65	405.38	3.77	-43.88
COC1=CC=C(C(=O)C(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025562770	0	33	-1.0	-43.37	309.23	1.23	-42.14
CN1C=C(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC2=O)C=N1	REAL300025562771	0	37	-1.0	-48.81	323.42	1.35	-47.46
CC1=NN(CC(F)F)C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562772	0	36	-1.0	-46.33	325.12	1.38	-44.95
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCCC3=NC(=O)O[N-]3)=NO2)CC1	REAL300025562773	0	52	-1.0	-43.86	416.81	2.01	-41.85
O=C(CCCC(=O)C1=CC=C2OCCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025562774	0	44	-1.0	-60.97	375.49	2.79	-58.18
C=CCOC1=CC(OC)=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562775	0	39	-1.0	-51.27	334.76	2.91	-48.36
CC(C)(C)OC(=O)NCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=N1	REAL300025562776	0	46	-1.0	-49.06	386.56	0.14	-48.92
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(COC2=CC=CC=C2F)=C1	REAL300025562777	0	37	-1.0	-48.65	340.05	2.31	-46.34
CC1=NN(C)C(SC2=CC=CC=C2)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562778	0	41	-1.0	-46.32	370.69	3.64	-42.68
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC=C1I	REAL300025562779	0	27	-1.0	-46.36	288.99	2.80	-43.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NC(OC2CCOC2)=C1	REAL300025562780	0	38	-1.0	-49.25	327.32	-1.19	-50.44
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025562781	0	39	-1.0	-48.46	349.56	4.81	-43.65
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1OC(F)F	REAL300025562782	0	31	-1.0	-49.17	291.19	-1.80	-50.97
CC1=CC=C(C(=O)CC(C)(C)CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562783	0	47	-1.0	-53.79	374.84	5.34	-48.45
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NN=C1C1=CC=CC=C1	REAL300025562784	0	37	-1.0	-45.22	320.55	2.12	-43.10
N#CC1=CC=C(C(=O)NCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562785	0	35	-1.0	-46.62	323.07	0.42	-46.20
CC1=C(Br)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)N1	REAL300025562786	0	30	-1.0	-49.84	284.79	-0.14	-49.98
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562787	0	35	-2.0	-86.42	315.47	-1.66	-88.08
CCNS(=O)(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562788	0	41	-1.0	-54.45	365.58	-0.75	-55.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(I)=C1[O-]	REAL300025562789	0	27	-2.0	-99.51	275.27	2.20	-97.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(I)=C1O	REAL300025562789	1	28	-1.0	-47.80	278.84	1.20	-46.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1SCC1CCCC1	REAL300025562790	0	46	-1.0	-45.98	394.10	6.75	-39.23
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1SC1CCCC1	REAL300025562791	0	41	-1.0	-46.02	356.95	5.70	-40.32
CNS(=O)(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562792	0	38	-1.0	-54.93	344.54	-1.61	-56.54
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562793	0	34	-1.0	-46.95	321.78	4.21	-42.74
CC1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562794	0	30	-1.0	-43.74	286.00	2.82	-40.92
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300025562795	0	35	-1.0	-45.46	317.10	3.46	-42.00
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1	REAL300025562796	0	37	-1.0	-52.06	334.58	4.12	-47.94
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562797	0	38	-1.0	-43.50	341.60	3.99	-39.51
COC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)C=C1OC	REAL300025562798	0	45	-1.0	-49.76	369.70	2.97	-46.79
O=C(CC1=CC(Cl)=CC2=C1OCC2)NCCC1=NC(=O)O[N-]1	REAL300025562799	0	35	-1.0	-49.10	320.48	2.58	-46.52
CCCCSC1=CC=C(Cl)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562800	0	40	-1.0	-45.69	360.20	5.49	-40.20
CCC(CC)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(OC)C(OC)=C1	REAL300025562801	0	50	-1.0	-51.49	383.91	3.15	-48.34
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(SC2=CC=C(Cl)C=C2)=C1	REAL300025562802	0	41	-1.0	-47.75	374.58	6.72	-41.03
COC1=CC=C(C(=O)CC(C)(C)CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562803	0	48	-1.0	-55.03	382.73	3.98	-51.05
O=C(NCCC1=NC(=O)O[N-]1)C1=COC(C2CCOCC2)=N1	REAL300025562804	0	37	-1.0	-44.06	319.18	-2.26	-46.32
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562805	0	38	-2.0	-104.08	344.13	-0.92	-105.00
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562805	1	39	-1.0	-50.40	347.68	-1.93	-52.33
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=C(Br)C=C1Br	REAL300025562806	0	26	-1.0	-42.02	278.13	1.06	-40.96
CNC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=CC=C1[N+](=O)[O-]	REAL300025562807	0	34	-1.0	-49.22	298.22	1.59	-47.63
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC=C1SC1=CC=C(Cl)C=C1	REAL300025562808	0	38	-1.0	-48.54	369.56	5.97	-42.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2CCCC2)N=C1	REAL300025562809	0	40	-1.0	-44.64	336.52	1.40	-43.24
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC=C1SC1=CC=C(Cl)C=C1	REAL300025562810	0	38	-1.0	-45.20	359.57	6.12	-39.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1SC1=CC=CC=C1	REAL300025562811	0	38	-1.0	-46.29	353.18	6.05	-40.24
CC1=CC=C(SC2=CC=C(Cl)C=C2)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562812	0	41	-1.0	-47.43	374.59	6.73	-40.70
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025562813	0	44	-1.0	-47.22	366.68	0.29	-46.93
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300025562814	0	36	-1.0	-41.98	354.91	1.81	-40.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1SC1=CC=CC=C1	REAL300025562815	0	38	-1.0	-52.51	345.06	5.66	-46.85
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562816	0	50	-1.0	-52.90	379.37	4.03	-48.87
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CCCC2)N=CS1	REAL300025562817	0	36	-1.0	-44.99	311.71	1.96	-43.03
COC1=CC=C(C(=O)CCCCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562818	0	45	-1.0	-49.43	381.84	3.73	-45.70
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)O1	REAL300025562819	0	36	-1.0	-46.26	320.77	0.66	-45.60
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562820	0	43	-1.0	-55.08	370.76	4.24	-50.84
CC(C)S(=O)(=O)C1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025562821	0	42	-1.0	-56.45	367.47	1.22	-55.23
O=C(CSC1=NN=C2C=CC=CN21)NCCC1=NC(=O)O[N-]1	REAL300025562822	0	33	-1.0	-52.16	311.76	3.19	-48.97
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300025562823	0	37	-2.0	-112.32	341.40	2.20	-110.12
CC1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)O1	REAL300025562824	0	34	-1.0	-45.69	319.96	3.27	-42.42
C[C@H](C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C2OCOC2=C1	REAL300025566507	0	36	-1.0	-48.67	309.89	1.43	-47.24
CS(=O)(=O)N1CCC(OCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025566508	0	42	-1.0	-54.72	359.23	-1.35	-56.07
CC1=CN(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)N=C1	REAL300025566509	0	37	-1.0	-56.00	323.57	3.41	-52.59
CC(CC1=CC=C(F)C(F)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566510	0	36	-1.0	-45.95	317.45	3.62	-42.33
N#CC1=CC=CC=C1C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025566511	0	38	-1.0	-49.62	341.19	5.26	-44.36
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=CC(F)=CC=C21	REAL300025566512	0	33	-1.0	-47.85	291.20	3.88	-43.97
CN1C(Br)=CN=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566513	0	27	-1.0	-41.18	265.37	0.45	-40.73
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(CC(F)(F)F)C=C1Br	REAL300025566514	0	30	-1.0	-50.78	307.45	1.30	-49.48
O=C(CCC1=CSC(Br)=C1)NCCC1=NC(=O)O[N-]1	REAL300025566515	0	30	-1.0	-44.46	300.99	2.69	-41.77
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(CC2=CC=CC=C2)N1	REAL300025566516	0	44	-1.0	-48.19	373.46	5.04	-43.15
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C(Br)C=C1Cl	REAL300025566517	0	34	-1.0	-48.00	331.38	4.60	-43.40
CCOC1=CC=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025566518	0	41	-1.0	-46.68	346.08	2.36	-44.32
CCC1=CC=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025566519	0	40	-1.0	-45.22	337.53	3.60	-41.62
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC(C)=CC(C)=C21	REAL300025566520	0	40	-1.0	-45.39	330.68	3.28	-42.11
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC=C(C(C)C)C=C21	REAL300025566521	0	43	-1.0	-45.01	354.70	4.07	-40.94
COC1=CC=CC(Br)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566522	0	31	-1.0	-49.75	296.29	1.27	-48.48
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=CC(Br)=C1Cl	REAL300025566523	0	27	-1.0	-46.43	288.45	2.45	-43.98
CC1=CC(CC2(C(=O)NCCC3=NC(=O)O[N-]3)CC2)=CC=C1F	REAL300025566524	0	40	-1.0	-49.85	347.41	4.88	-44.97
CC1=CC(F)=CC=C1CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025566525	0	40	-1.0	-49.84	337.80	4.55	-45.29
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCC[C@@H]1C1=CC=C(F)C=C1	REAL300025566526	0	40	-1.0	-50.09	328.00	4.41	-45.68
C#CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)CC1	REAL300025566527	0	52	-1.0	-48.04	403.34	4.27	-43.77
COC(=O)C1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)SC2=CC=C1	REAL300025566528	0	36	-1.0	-53.57	333.25	3.47	-50.10
COC(=O)C1=NC=CC=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025566529	0	38	-1.0	-51.67	331.05	1.63	-50.04
CC(C)(C)OC(=O)N1CS(=O)(=O)CCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566530	0	47	-1.0	-63.11	386.49	-0.93	-64.04
CN1C=C2C(=N1)CCN(C(=O)OC(C)(C)C)C2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566531	0	51	-1.0	-56.58	409.16	2.89	-53.69
CC(C)(C)OC(=O)N1CC2(CC1C(=O)NCCC1=NC(=O)O[N-]1)CCOCC2	REAL300025566532	0	55	-1.0	-53.72	425.56	2.24	-51.48
CC(C)(C)OC(=O)NCC12CC(C(=O)NCCC3=NC(=O)O[N-]3)(C1)C(C)(C)O2	REAL300025566533	0	55	-1.0	-47.64	431.70	0.60	-47.04
CC12CC3(C)CC(O)(C1)CC(C(=O)NCCC1=NC(=O)O[N-]1)(C2)C3	REAL300025566534	0	48	-1.0	-46.25	359.19	1.11	-45.14
CC(C)(C)OC(=O)NOC(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566535	0	51	-1.0	-55.09	422.30	4.83	-50.26
CC(C)(C)OC(=O)NCC1CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566536	0	47	-1.0	-48.63	381.57	0.89	-47.74
CC(C)(C)OC(=O)N1CCOC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025566537	0	49	-1.0	-49.13	395.07	3.04	-46.09
CNC(=O)C1=CN=CC(C=CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566538	0	37	-1.0	-53.43	329.35	-0.77	-54.20
O=C(C=CC1=CC=NC2=CC=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025566539	0	36	-1.0	-49.39	316.60	3.04	-46.35
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566540	0	34	-1.0	-46.97	303.19	3.42	-43.55
NS(=O)(=O)C1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025566541	0	38	-1.0	-53.93	324.14	-3.29	-57.22
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2F)=NO1	REAL300025566542	0	33	-1.0	-45.53	306.50	2.66	-42.87
O=C(NCCC1=NC(=O)O[N-]1)C(O)C1=CC=C(F)C(Cl)=C1	REAL300025566543	0	31	-1.0	-45.54	298.09	0.87	-44.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C2=CC=CN=C12	REAL300025566544	0	32	-1.0	-52.02	300.83	2.86	-49.16
CSC(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1	REAL300025566545	0	34	-1.0	-44.67	323.20	3.97	-40.70
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)N(CC(F)(F)F)C=C1	REAL300025566546	0	33	-1.0	-56.74	306.83	1.59	-55.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(C2=COC=C2)=C1	REAL300025566547	0	33	-1.0	-46.77	297.48	1.35	-45.42
C[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL300025566548	0	40	-1.0	-45.71	348.76	3.23	-42.48
CC1(C)C(C(=O)NCCC2=NC(=O)O[N-]2)CCS1(=O)=O	REAL300025566549	0	36	-1.0	-54.19	302.61	-1.47	-55.66
O=C(CCCCN1C(=O)CCC1=O)NCCC1=NC(=O)O[N-]1	REAL300025566550	0	39	-1.0	-54.13	337.66	1.26	-52.87
CC(C(=O)NCCC1=NC(=O)O[N-]1)C(C)C1=CC=C(F)C=C1	REAL300025566551	0	39	-1.0	-47.52	324.95	3.95	-43.57
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)COC1	REAL300025566552	0	45	-1.0	-46.83	365.43	-0.94	-47.77
O=C(CC1=CNC2=CC(OCC3=CC=CC=C3)=CC=C12)NCCC1=NC(=O)O[N-]1	REAL300025566553	0	48	-1.0	-52.47	411.03	5.54	-46.93
O=C(NCCC1=NC(=O)O[N-]1)C1COC2=C(Br)C=CC=C2C1	REAL300025566554	0	35	-1.0	-44.71	318.13	2.77	-41.94
CN1C=CC(N2C=NC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025566555	0	34	-1.0	-53.65	310.46	2.78	-50.87
CN(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(C#N)C=C1F	REAL300025566556	0	36	-1.0	-50.63	324.95	1.73	-48.90
CCC1=NC2=CC=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566557	0	38	-1.0	-47.04	319.38	3.27	-43.77
CCCN1C(=O)CC(C(=O)NCCC2=NC(=O)O[N-]2)C1C1=CC=CC=C1	REAL300025566558	0	47	-1.0	-51.23	383.02	4.39	-46.84
COC1=CC=C(F)C=C1CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025566559	0	41	-1.0	-50.09	352.84	3.63	-46.46
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=CC2=C1OCO2	REAL300025566560	0	30	-1.0	-49.09	289.22	0.51	-48.58
O=C(NCCC1=NC(=O)O[N-]1)C12CC(F)(F)CC1CCCC2	REAL300025566561	0	40	-1.0	-47.99	312.95	3.42	-44.57
CC1=CC=CC(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025566562	0	36	-1.0	-42.93	323.44	3.20	-39.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=NO1	REAL300025566563	0	33	-1.0	-41.63	318.70	3.05	-38.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2Cl)=NO1	REAL300025566564	0	33	-1.0	-44.28	314.38	3.21	-41.07
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCC1	REAL300025566565	0	47	-1.0	-47.27	380.67	0.81	-46.46
CC1OC2(CNC(=O)OC(C)(C)C)CC1(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025566566	0	52	-1.0	-47.09	418.11	0.07	-47.02
CC(C)(C)OC(=O)NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(Cl)=C1	REAL300025566567	0	41	-1.0	-43.00	367.85	1.59	-41.41
COC(=O)[C@@H](CC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025566568	0	46	-1.0	-53.66	387.69	0.55	-53.11
CC(C)(C)OC(=O)N1CCC(CC(=O)NCCC2=NC(=O)O[N-]2)CC12CC2	REAL300025566569	0	54	-1.0	-47.62	417.05	4.15	-43.47
CC(C)(C)OC(=O)NC1=CC=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=C1	REAL300025566570	0	48	-1.0	-47.31	398.93	1.73	-45.58
O=C(NCCC1=NC(=O)O[N-]1)C12CC3CC(CC(O)(C3)C1)C2	REAL300025566571	0	42	-1.0	-49.61	318.84	0.12	-49.49
CC1CC(C(=O)NCCC2=NC(=O)O[N-]2)N1C(=O)OC(C)(C)C	REAL300025566572	0	44	-1.0	-59.31	358.72	2.26	-57.05
CC1=NSC(I)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566573	0	26	-1.0	-41.38	279.88	0.74	-40.64
CN1C=CC(C2=NNC=C2C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025566574	0	34	-1.0	-58.96	305.34	-0.35	-59.31
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC=C(C(F)(F)F)C=C21	REAL300025566575	0	37	-1.0	-44.75	333.63	3.16	-41.59
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=C(C)C=CC=C12	REAL300025566576	0	37	-1.0	-45.25	315.88	2.81	-42.44
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(C2=CC=CC=C2)N1	REAL300025566577	0	38	-1.0	-46.86	326.13	3.52	-43.34
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(C2=CC=CC=C2)N1	REAL300025566578	0	41	-1.0	-46.81	347.51	4.25	-42.56
CCC1=CN2C(=N1)C=CC=C2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566579	0	36	-1.0	-51.94	309.84	3.26	-48.68
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CC(Br)=C1)CC2	REAL300025566580	0	41	-1.0	-47.26	354.16	5.61	-41.65
CCOC(=O)C12CC(C(=O)NCCC3=NC(=O)O[N-]3)(C1)OC2	REAL300025566581	0	38	-1.0	-44.40	330.00	0.69	-43.71
CC1(C)CC(CC(=O)NCCC2=NC(=O)O[N-]2)CC(C)(C)O1	REAL300025566582	0	46	-1.0	-45.87	353.74	2.74	-43.13
N#CC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025566583	0	34	-1.0	-47.32	327.32	3.87	-43.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(=O)NCC2=C1	REAL300025566584	0	34	-1.0	-49.44	297.58	-1.38	-50.82
O=C(NCCC1=NC(=O)O[N-]1)C(CC(F)(F)F)C1=CC=CC=C1	REAL300025566585	0	36	-1.0	-45.57	319.78	3.71	-41.86
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC(F)=CC=C21	REAL300025566586	0	33	-1.0	-50.67	301.29	1.58	-49.09
O=C(NCCC1=NC(=O)O[N-]1)C1=COC2=C1CS(=O)(=O)C2	REAL300025566587	0	31	-1.0	-56.33	292.01	-2.57	-58.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2CCOC2)C=C1	REAL300025566588	0	38	-1.0	-46.62	318.03	2.14	-44.48
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)C1=CSC=C1Br	REAL300025566589	0	27	-1.0	-42.07	285.37	1.74	-40.33
CN1C=C(C2=NOC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)C=N1	REAL300025566590	0	33	-1.0	-45.25	306.71	0.38	-44.87
C=CCNC(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025566591	0	38	-1.0	-50.88	334.01	1.24	-49.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=CC=C2F)=C1	REAL300025566592	0	36	-1.0	-49.47	324.01	3.41	-46.06
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC(C)=CC=C21	REAL300025566593	0	37	-1.0	-45.25	316.05	2.82	-42.43
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300025566594	0	36	-1.0	-46.96	322.76	2.82	-44.14
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC(Cl)=CC=C21	REAL300025566595	0	34	-1.0	-43.75	311.39	2.64	-41.11
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC(F)=CC=C21	REAL300025566596	0	34	-1.0	-44.00	301.08	2.21	-41.79
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CC12CCC2	REAL300025566597	0	51	-1.0	-48.08	411.45	2.49	-45.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(F)=C1F	REAL300025566598	0	27	-1.0	-46.67	275.44	2.30	-44.37
CC(C1=CC=CC=C1)C(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566599	0	53	-1.0	-42.56	419.56	3.20	-39.36
C[C@@H]1CCC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)N1C(=O)OC(C)(C)C	REAL300025566600	0	50	-1.0	-54.55	381.28	3.63	-50.92
CC(C)(C)OC(=O)N1CCC2CC2(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025566601	0	51	-1.0	-48.27	392.84	3.97	-44.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(F)=C1C(F)(F)F	REAL300025566602	0	30	-1.0	-52.21	282.60	2.39	-49.82
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566603	0	51	-1.0	-45.20	394.86	2.19	-43.01
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCCCO1	REAL300025566604	0	51	-1.0	-42.74	395.78	0.61	-42.13
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025566605	0	51	-1.0	-57.47	399.50	3.28	-54.19
CCC(CCC(=O)NCCC1=NC(=O)O[N-]1)NC(=O)OC(C)(C)C	REAL300025566606	0	49	-1.0	-46.09	389.52	1.41	-44.68
CC(C)(C)OC(=O)NCC1=CC=CC=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025566607	0	53	-1.0	-49.98	430.25	3.58	-46.40
O=C(NCCC1=NC(=O)O[N-]1)C1=C2SC=CC2=C(F)C=C1	REAL300025566608	0	30	-1.0	-47.29	284.10	2.95	-44.34
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1C1=CC=CC=C1	REAL300025566609	0	40	-1.0	-48.48	339.27	5.61	-42.87
CC(C)(C)OC(=O)NC1(CCC(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025566610	0	47	-1.0	-51.71	385.47	1.36	-50.35
CC1=C(F)C=CC(Br)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566611	0	30	-1.0	-44.35	291.88	2.48	-41.87
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566612	0	40	-1.0	-45.68	333.52	5.63	-40.05
O=C(NCCC1=NC(=O)O[N-]1)C1=COC2=C(Br)C=CC=C12	REAL300025566613	0	30	-1.0	-48.64	293.30	2.49	-46.15
COC1=CC(OC)=C(Cl)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566614	0	35	-1.0	-49.17	314.03	0.70	-48.47
CN(CC1=CC=CC=C1)C(=O)C(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566615	0	46	-1.0	-60.87	369.60	4.88	-55.99
CC(C)(C)N1CCCC(C)(C(=O)NCCC2=NC(=O)O[N-]2)S1(=O)=O	REAL300025566616	0	47	-1.0	-51.16	360.95	0.79	-50.37
O=C(NCCC1=NC(=O)O[N-]1)C1CCC1C1=CC=C(Cl)C(Cl)=C1	REAL300025566617	0	37	-1.0	-49.10	343.48	4.93	-44.17
O=C(NCCC1=NC(=O)O[N-]1)C1C2C=CC(C2)C1C1=CC=CC=C1	REAL300025566618	0	42	-1.0	-46.24	333.35	5.53	-40.71
CC1(C)CCC(F)(F)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566619	0	39	-1.0	-42.69	304.84	2.73	-39.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(CC2=CC=CC=C2)C=N1	REAL300025566620	0	39	-1.0	-46.46	343.36	4.26	-42.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300025566621	0	37	-1.0	-48.92	331.84	4.36	-44.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C(F)(F)F)S1	REAL300025566622	0	26	-1.0	-42.05	271.77	-0.15	-42.20
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCO[C@H]1C1=CC=CC=C1C(F)(F)F	REAL300025566623	0	41	-1.0	-50.87	343.22	2.98	-47.89
COC1=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)NN=C2C=C1	REAL300025566624	0	34	-1.0	-50.71	299.57	-0.46	-51.17
COC1=CC=C2NC(C(=O)NCCC3=NC(=O)O[N-]3)=C(C)C2=C1	REAL300025566625	0	38	-1.0	-46.88	324.20	1.45	-45.43
O=C(NCCC1=NC(=O)O[N-]1)C(=O)C1=CSC=C1Br	REAL300025566626	0	26	-1.0	-40.74	272.82	0.94	-39.80
O=C(CC(C1=CC=C(F)C=C1)C(F)F)NCCC1=NC(=O)O[N-]1	REAL300025566627	0	36	-1.0	-45.00	318.55	3.60	-41.40
O=C(NCCC1=NC(=O)O[N-]1)C1CCN(CC(F)(F)F)C(=O)C1	REAL300025566628	0	37	-1.0	-48.29	323.09	1.08	-47.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(Br)=C1Cl	REAL300025566629	0	24	-1.0	-47.56	269.04	1.67	-45.89
O=C(NCCC1=NC(=O)O[N-]1)C12CC3CC(C1)C(=O)C(C3)C2	REAL300025566630	0	40	-1.0	-45.04	310.53	2.56	-42.48
O=C(NCCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC2CCC1C2	REAL300025566631	0	37	-1.0	-42.29	297.07	2.89	-39.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1CC(F)(F)F	REAL300025566632	0	33	-1.0	-46.93	294.03	3.22	-43.71
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Br)C=C1)CC2	REAL300025566633	0	41	-1.0	-46.65	355.41	5.61	-41.04
CCN(CCC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025566634	0	46	-1.0	-48.19	372.12	2.49	-45.70
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC2CC21	REAL300025566635	0	51	-1.0	-50.01	392.04	2.12	-47.89
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)CCN1C=CN=N1	REAL300025566636	0	32	-1.0	-49.01	295.88	-0.10	-49.11
CC1=CC(F)=CC=C1C(F)(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566637	0	33	-1.0	-40.92	297.85	2.78	-38.14
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)CCN1C=CC=N1	REAL300025566638	0	33	-1.0	-45.66	302.08	1.13	-44.53
O=C(CC1CCS(=O)(=O)CC1)NCCC1=NC(=O)O[N-]1	REAL300025566639	0	36	-1.0	-53.20	306.43	-1.50	-54.70
CC1=NN=NN1C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025566640	0	38	-1.0	-55.40	333.02	2.01	-53.39
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C1=CN=CC=N1	REAL300025566641	0	37	-1.0	-49.37	307.81	-1.05	-50.42
O=C(NCCC1=NC(=O)O[N-]1)C1=C2CCS(=O)(=O)C2=CN1	REAL300025566642	0	32	-1.0	-53.40	294.48	-2.76	-56.16
CCOC(=O)C1(C(=O)NCCC2=NC(=O)O[N-]2)CC2(CCC2)C1	REAL300025566643	0	43	-1.0	-43.32	352.77	4.01	-39.31
COC1=CC(F)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025566644	0	31	-1.0	-47.05	297.64	1.59	-45.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(I)=C1F	REAL300025566645	0	27	-1.0	-50.76	274.76	2.67	-48.09
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C2=CC=CC=C2C=C1	REAL300025566646	0	33	-1.0	-52.05	293.03	3.85	-48.20
CC(C)(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=C1	REAL300025566647	0	41	-1.0	-54.26	346.13	5.21	-49.05
O=C(NCCC1=NC(=O)O[N-]1)C(CC1=CC=C(Cl)C=C1)C1=CC=CC=C1	REAL300025566648	0	43	-1.0	-43.70	380.58	6.83	-36.87
O=C(NCCC1=NC(=O)O[N-]1)C(CC1=CC=CC=C1)C1CCCCC1	REAL300025566649	0	49	-1.0	-44.74	378.78	6.81	-37.93
CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCC2=CC=CC=C21	REAL300025566650	0	43	-1.0	-44.91	331.76	4.80	-40.11
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)CF)C=C1	REAL300025566651	0	33	-1.0	-47.11	303.01	3.22	-43.89
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300025566652	0	40	-1.0	-44.67	348.75	3.24	-41.43
COC(=O)C1=CSC2=C1NC(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025566653	0	34	-1.0	-47.65	323.30	1.19	-46.46
COC(=O)C1=CC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)N2)S1	REAL300025566654	0	34	-1.0	-45.94	323.54	1.33	-44.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CON=C1C1=CC=CC=C1	REAL300025566655	0	33	-1.0	-49.47	295.68	2.52	-46.95
CC(C)(C)OC(=O)NCC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025566656	0	50	-1.0	-50.17	415.83	2.68	-47.49
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566657	0	50	-1.0	-47.25	394.73	1.60	-45.65
CC(C)(C)OC(=O)NCCC(F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566658	0	43	-1.0	-48.57	362.20	-0.20	-48.77
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2=C(C1)C(C(F)(F)F)=NN2	REAL300025566659	0	37	-1.0	-51.95	327.93	1.32	-50.63
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566660	0	41	-1.0	-47.47	341.66	5.06	-42.41
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566661	0	41	-1.0	-47.65	341.77	5.06	-42.59
COCC(OC1=CC=C(Cl)C=C1C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566662	0	41	-1.0	-51.53	364.32	3.18	-48.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(I)C(F)=C1	REAL300025566663	0	27	-1.0	-42.23	282.10	2.71	-39.52
O=C(NCC1(C(=O)NCCC2=NC(=O)O[N-]2)COC1)OCC1=CC=CC=C1	REAL300025566664	0	46	-1.0	-48.14	392.32	1.01	-47.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C3OCCOC3=C2)=NN1	REAL300025566665	0	40	-1.0	-47.93	349.30	0.74	-47.19
O=C(CC(C1=CC=CC(F)=C1)C(F)F)NCCC1=NC(=O)O[N-]1	REAL300025566666	0	36	-1.0	-46.91	318.96	3.60	-43.31
CN1C(=O)N(CC(=O)NCCC2=NC(=O)O[N-]2)N=C1C1CC1	REAL300025566667	0	37	-1.0	-57.20	328.81	1.98	-55.22
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2	REAL300025566668	0	41	-1.0	-46.74	350.85	5.51	-41.23
CC1=CC(Cl)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025566669	0	30	-1.0	-44.57	295.27	3.24	-41.33
NS(=O)(=O)C1=CSC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566670	0	29	-1.0	-52.17	291.00	-4.55	-56.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2C(=C1)C=CNC2=O	REAL300025566671	0	32	-1.0	-52.78	290.18	-1.01	-53.79
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=C(Br)C=C1[N+](=O)[O-]	REAL300025566672	0	29	-1.0	-47.99	308.90	3.36	-44.63
CC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(F)=C1	REAL300025566673	0	36	-1.0	-49.11	311.26	3.26	-45.85
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566674	0	40	-1.0	-47.30	340.00	4.22	-43.08
COC1=CC=CC=C1N1N=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566675	0	38	-1.0	-47.34	330.32	2.21	-45.13
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C2=CC=CC=C2F)=NO1	REAL300025566676	0	36	-1.0	-46.39	325.45	3.22	-43.17
O=C(NCCC1=NC(=O)O[N-]1)C1CCOCC12CCCCC2	REAL300025566677	0	44	-1.0	-46.97	326.27	2.18	-44.79
O=C(NCCC1=NC(=O)O[N-]1)C1(C(F)(F)F)CC2CCC1CC2	REAL300025566678	0	40	-1.0	-42.04	311.29	3.49	-38.55
CC(F)(F)C(C(=O)NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025566679	0	36	-1.0	-48.16	310.04	3.65	-44.51
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CCOC1	REAL300025566680	0	38	-1.0	-43.97	312.80	2.41	-41.56
CC1=CC=C(C2CCCCC2C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025566681	0	46	-1.0	-46.71	363.76	5.79	-40.92
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566682	0	52	-1.0	-47.08	413.44	5.77	-41.31
O=C(CCCN1CC2=CC=CC=C2C1=O)NCCC1=NC(=O)O[N-]1	REAL300025566683	0	41	-1.0	-58.04	354.26	3.21	-54.83
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566684	0	39	-1.0	-58.19	351.64	4.70	-53.49
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566685	0	47	-1.0	-45.55	379.98	-1.03	-46.58
CN1C=C(CC(NC(=O)OC(C)(C)C)C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025566686	0	50	-1.0	-47.61	396.63	0.23	-47.38
CC(C)(C)OC(=O)N1CC(CC(=O)NCCC2=NC(=O)O[N-]2)OC(C)(C)C1	REAL300025566687	0	54	-1.0	-51.60	422.00	3.35	-48.25
CC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300025566688	0	50	-1.0	-47.75	394.86	2.85	-44.90
CCC(C)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)N1	REAL300025566689	0	39	-1.0	-50.65	324.54	1.41	-49.24
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NN1C1=CC=CC(Br)=C1	REAL300025566690	0	37	-1.0	-46.08	344.71	3.73	-42.35
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566691	0	49	-1.0	-49.02	390.52	5.72	-43.30
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566692	0	37	-1.0	-48.27	330.30	3.95	-44.32
COCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCN(C(=O)OC(C)(C)C)CC1	REAL300025566693	0	57	-1.0	-51.73	410.12	4.15	-47.58
CC(C)(C)OC(=O)N1CCC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)CC1	REAL300025566694	0	57	-1.0	-53.60	432.23	5.22	-48.38
O=C(NCCC1=NC(=O)O[N-]1)C1COC2=CC=C(Br)C=C2C1	REAL300025566695	0	35	-1.0	-44.29	319.17	2.68	-41.61
CC1=CC=C(OC(C)C(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025566696	0	40	-1.0	-49.49	335.76	4.07	-45.42
O=C(CN1C(=O)NC2(CCOCC2)C1=O)NCCC1=NC(=O)O[N-]1	REAL300025566697	0	40	-1.0	-52.48	339.98	-2.17	-54.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=CC(Cl)=CC=C21	REAL300025566698	0	33	-1.0	-47.74	301.50	4.31	-43.43
O=C(CC1CCC2=CC(Br)=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025566699	0	37	-1.0	-47.44	326.91	4.60	-42.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL300025566700	0	36	-1.0	-46.41	319.08	3.23	-43.18
CC(OC1=CC=C(Cl)C=C1C1CCCCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566701	0	50	-1.0	-48.68	411.26	7.06	-41.62
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)SC2=C1SN=N2	REAL300025566702	0	25	-1.0	-43.29	279.52	-0.13	-43.42
CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566703	0	50	-1.0	-53.84	397.69	2.94	-50.90
CC(C)(C)OC(=O)N1CC(C)(C)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566704	0	50	-1.0	-53.79	397.70	2.94	-50.85
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2(C1)CCOCC2	REAL300025566705	0	55	-1.0	-52.29	423.54	0.56	-51.73
COC(=O)C1=COC2=C1NC(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025566706	0	34	-1.0	-48.87	314.69	0.33	-48.54
COC(=O)C1=CC(C)=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C1	REAL300025566707	0	40	-1.0	-46.45	352.48	2.75	-43.70
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C(C2=NNC=N2)S1	REAL300025566708	0	32	-1.0	-50.09	304.30	0.23	-49.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(CC2=CC=CC=C2)=CN1	REAL300025566709	0	38	-1.0	-49.52	333.69	3.80	-45.72
COC(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025566710	0	36	-1.0	-50.74	308.23	2.75	-47.99
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCCO1	REAL300025566711	0	48	-1.0	-45.66	384.37	-0.16	-45.82
CC(C)(C)OC(=O)N1CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC2)CC1	REAL300025566712	0	55	-1.0	-49.24	428.42	4.70	-44.54
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC=CC1	REAL300025566713	0	45	-1.0	-50.37	363.33	0.90	-49.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1	REAL300025566714	0	40	-1.0	-54.57	348.51	4.10	-50.47
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=CSC=C2)C=C1	REAL300025566715	0	34	-1.0	-46.83	308.28	3.96	-42.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2CCOC(=O)C2=C1	REAL300025566716	0	34	-1.0	-57.88	299.09	2.48	-55.40
CC(C)(C)OC(=O)N1CCC2=C(C1)C(C(=O)NCCC1=NC(=O)O[N-]1)=NO2	REAL300025566717	0	47	-1.0	-50.37	387.26	2.20	-48.17
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566718	0	52	-1.0	-47.31	402.81	1.98	-45.33
O=C(NCCC1=NC(=O)O[N-]1)C1CC2=CC(Br)=CN=C2C1	REAL300025566719	0	33	-1.0	-45.20	306.41	2.08	-43.12
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(OC2=CC(C(F)(F)F)=CC=N2)=C1	REAL300025566720	0	40	-1.0	-50.44	369.15	2.90	-47.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(CC(F)(F)F)C=N1	REAL300025566721	0	30	-1.0	-50.47	289.46	2.08	-48.39
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NCCC2=NC(=O)O[N-]2)C1(C)C	REAL300025566722	0	53	-1.0	-47.05	408.58	3.39	-43.66
O=C(CCCCC1CSSC1)NCCC1=NC(=O)O[N-]1	REAL300025566723	0	38	-1.0	-48.99	335.77	4.71	-44.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC2=C(Cl)C=CC=C12	REAL300025566724	0	32	-1.0	-44.52	294.52	2.44	-42.08
CC(C)(C)OC(=O)N1CCCC1C(C)(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566725	0	53	-1.0	-44.75	398.04	4.09	-40.66
CC(C)(C)OC(=O)N1CCC2(CCC2)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566726	0	54	-1.0	-53.49	411.06	4.65	-48.84
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CCCC1	REAL300025566727	0	50	-1.0	-45.72	390.75	2.28	-43.44
O=C(NCCC1=NC(=O)O[N-]1)C(CC1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300025566728	0	43	-1.0	-44.60	370.28	6.36	-38.24
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566729	0	43	-1.0	-47.69	367.58	5.27	-42.42
O=C(NCCC1=NC(=O)O[N-]1)C(CC1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300025566730	0	43	-1.0	-44.12	380.60	6.82	-37.30
O=C(CC1=CC(Br)=CS1)NCCC1=NC(=O)O[N-]1	REAL300025566731	0	27	-1.0	-46.14	279.63	1.95	-44.19
CN1C=C(C2=CC=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025566732	0	37	-1.0	-52.90	319.09	2.84	-50.06
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)NCCC1=NC(=O)O[N-]1	REAL300025566733	0	38	-1.0	-46.51	346.09	5.52	-40.99
COC1(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)COC1	REAL300025566734	0	39	-1.0	-50.89	323.81	0.84	-50.05
COCCN1C=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025566735	0	41	-1.0	-51.02	350.36	3.23	-47.79
CC(C)N1C=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025566736	0	40	-1.0	-51.58	334.77	4.65	-46.93
O=C(NCCC1=NC(=O)O[N-]1)C(CC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300025566737	0	43	-1.0	-44.10	370.26	6.37	-37.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(F)C=C2)=NS1	REAL300025566738	0	33	-1.0	-43.58	314.56	2.82	-40.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=C(Cl)C=C2)=NS1	REAL300025566739	0	33	-1.0	-43.25	324.88	3.27	-39.98
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC(Cl)=C2)=NS1	REAL300025566740	0	33	-1.0	-44.20	324.88	3.27	-40.93
CC1=CC=C(C(=O)C2=CC=C(CC(=O)NCCC3=NC(=O)O[N-]3)N2C)C=C1	REAL300025566741	0	46	-1.0	-53.23	388.43	5.38	-47.85
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)NC2=CC(F)=CC(F)=C21	REAL300025566742	0	34	-1.0	-44.18	305.47	2.22	-41.96
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566743	0	46	-1.0	-48.75	388.51	0.27	-48.48
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566744	0	50	-1.0	-47.22	394.73	1.60	-45.62
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(F)=C1F	REAL300025566745	0	27	-1.0	-50.23	270.30	2.18	-48.05
COC(=O)CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025566746	0	36	-1.0	-51.21	320.25	2.98	-48.23
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566747	0	53	-1.0	-46.39	421.16	0.49	-45.90
CC(C)(C)OC(=O)NC(CC1CCOCC1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566748	0	54	-1.0	-43.94	411.94	0.36	-43.58
NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(F)C(F)=C1F	REAL300025566749	0	29	-1.0	-41.47	271.93	-0.05	-41.52
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566750	0	50	-1.0	-57.32	390.65	3.14	-54.18
CC(C)(C)OC(=O)N1CCC1(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566751	0	44	-1.0	-43.38	361.40	1.30	-42.08
CN1N=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=C1CCN(C(=O)OC(C)(C)C)C2	REAL300025566752	0	51	-1.0	-55.97	412.14	2.35	-53.62
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566753	0	52	-1.0	-43.42	390.10	3.09	-40.33
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566754	0	53	-1.0	-44.51	421.32	0.56	-43.95
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C=CN=C1F	REAL300025566755	0	26	-1.0	-47.55	268.43	0.09	-47.46
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)CC(F)(F)C1	REAL300025566756	0	47	-1.0	-45.50	383.90	2.58	-42.92
CC(C)(C)OC(=O)N1CCC2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C1	REAL300025566757	0	51	-1.0	-55.61	403.42	4.68	-50.93
NC1=C(F)C=C(F)C(F)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566758	0	29	-1.0	-43.80	278.41	-0.52	-44.32
CC(C)(C)OC(=O)NCC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CO1	REAL300025566759	0	43	-1.0	-45.29	370.80	-3.33	-48.62
CN(C)C1=CC=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566760	0	35	-1.0	-47.02	310.62	2.56	-44.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL300025566761	0	37	-1.0	-53.35	324.50	0.08	-53.27
CC(C)(C)OC(=O)NC(C)(C(=O)NCCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025566762	0	43	-1.0	-44.90	364.13	0.27	-44.63
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2(CCC2)C1	REAL300025566763	0	54	-1.0	-47.36	428.87	2.63	-44.73
O=C(NCCC1=NC(=O)O[N-]1)C12CCN(CCC1)S2(=O)=O	REAL300025566764	0	36	-1.0	-55.14	301.66	-2.25	-57.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CN=C1OC1=CC=CN=C1	REAL300025566765	0	36	-1.0	-55.07	322.79	1.31	-53.76
CC1=CC=CC(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2(F)F)=C1	REAL300025566766	0	37	-1.0	-47.52	329.60	4.32	-43.20
O=C(NCCC1=NC(=O)O[N-]1)C1=C(C2CC2)ON=C1Br	REAL300025566767	0	30	-1.0	-42.97	298.12	1.84	-41.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(N1)C(Br)=CO2	REAL300025566768	0	28	-1.0	-45.09	279.20	0.18	-44.91
CC(C)C1=CNC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=NC2=C1	REAL300025566769	0	39	-1.0	-59.23	333.21	1.57	-57.66
O=C(CC1=CC2=C(C=C1Br)OCO2)NCCC1=NC(=O)O[N-]1	REAL300025566770	0	33	-1.0	-48.77	311.63	1.36	-47.41
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)SC2=C1SN=N2	REAL300025566771	0	25	-1.0	-42.82	283.94	-0.03	-42.85
O=C(NCCC1=NC(=O)O[N-]1)C1=NC2=CC(Br)=CNC2=N1	REAL300025566772	0	29	-1.0	-60.27	289.25	0.17	-60.10
COC1=CC=C(CNC(=O)OC(C)(C)C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566773	0	51	-1.0	-52.39	418.52	2.55	-49.84
CC(C)(C)OC(=O)NC1CCCN(CC(=O)NCCC2=NC(=O)O[N-]2)C1=O	REAL300025566774	0	51	-1.0	-58.18	411.81	0.42	-57.76
CC(C)(C)OC(=O)N1CC(C(=O)NCCC2=NC(=O)O[N-]2)C2(CCCC2)C1	REAL300025566775	0	54	-1.0	-51.64	416.25	3.93	-47.71
CCOCCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566776	0	50	-1.0	-44.64	401.04	-0.18	-44.82
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C21	REAL300025566777	0	51	-1.0	-49.69	402.98	4.86	-44.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C(C(F)(F)F)=C1F	REAL300025566778	0	30	-1.0	-50.31	300.70	3.05	-47.26
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NCC2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566779	0	52	-1.0	-62.09	414.17	-0.16	-62.25
C#CCC1(C(=O)NCCC2=NC(=O)O[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300025566780	0	49	-1.0	-50.61	396.59	3.57	-47.04
CC(C)(C)OC(=O)N1CCN2C(=CC=C2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566781	0	49	-1.0	-49.06	392.15	3.50	-45.56
CCOC1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1N	REAL300025566782	0	36	-1.0	-42.72	325.41	0.68	-42.04
CC(C)(C)OC(=O)NC1(CC(=O)NCCC2=NC(=O)O[N-]2)CS(=O)(=O)C1	REAL300025566783	0	47	-1.0	-52.38	392.23	-2.45	-54.83
CC(C)(C)OC(=O)N1CC2(CCC2)C(F)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566784	0	51	-1.0	-46.67	406.68	3.24	-43.43
CC1=CC=CC(C(CNC(=O)OC(C)(C)C)C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566785	0	53	-1.0	-50.46	432.91	3.22	-47.24
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1Br	REAL300025566786	0	34	-1.0	-48.76	314.11	4.06	-44.70
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566787	0	47	-1.0	-45.72	389.74	-0.08	-45.80
CC(C)(C)OC(=O)N1CC(CN2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N=N2)C1	REAL300025566788	0	50	-1.0	-52.81	421.05	1.08	-51.73
C=CCN(CCC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025566789	0	47	-1.0	-47.90	385.56	3.05	-44.85
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566790	0	50	-1.0	-53.63	400.42	2.96	-50.67
CC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CCC(=O)CC2)C=C1	REAL300025566791	0	45	-1.0	-47.08	358.94	4.58	-42.50
O=C(NCCC1=NC(=O)O[N-]1)C1(C2CCOCC2)CC1(F)F	REAL300025566792	0	38	-1.0	-46.63	310.16	1.32	-45.31
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)N=C1C(F)(F)F	REAL300025566793	0	32	-1.0	-50.86	310.42	2.00	-48.86
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025566794	0	35	-1.0	-50.78	318.97	0.73	-50.05
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=NN1CC(F)F	REAL300025566795	0	33	-1.0	-47.88	298.84	0.90	-46.98
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)CO1	REAL300025566796	0	48	-1.0	-50.65	390.37	-0.84	-51.49
NC1=CC(CC(=O)NCCC2=NC(=O)O[N-]2)=C(Br)C=C1[N+](=O)[O-]	REAL300025566797	0	34	-1.0	-49.85	326.19	1.44	-48.41
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566798	0	47	-1.0	-47.67	380.38	-0.99	-48.66
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025566799	0	50	-1.0	-48.38	394.68	3.18	-45.20
COC1(C(=O)NCCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025566800	0	45	-1.0	-44.87	371.26	-0.37	-45.24
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CC2(CCC2)C1	REAL300025566801	0	54	-1.0	-43.30	419.89	2.95	-40.35
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)C1CC(C)(C)C1	REAL300025566802	0	53	-1.0	-43.68	410.52	2.87	-40.81
CC(C)(C)OC(=O)NCC1=CC=CC(OCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566803	0	51	-1.0	-53.68	424.75	2.56	-51.12
CC(C)(C)OC(=O)NCC1CC2CC1CC2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566804	0	54	-1.0	-48.28	415.21	2.31	-45.97
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566805	0	51	-1.0	-54.20	401.52	-0.37	-54.57
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C2C1C2(F)F	REAL300025566806	0	48	-1.0	-53.75	384.77	2.92	-50.83
CC(C)(C)OC(=O)N1CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)NN=C2C1(C)C	REAL300025566807	0	51	-1.0	-45.99	412.22	1.53	-44.46
CC(C)(C)OC(=O)NC1CCCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025566808	0	53	-1.0	-48.42	405.39	2.13	-46.29
CC(C)(C)OC(=O)NC1=CN=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025566809	0	43	-1.0	-48.48	375.10	0.59	-47.89
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025566810	0	50	-1.0	-52.51	389.67	2.92	-49.59
CC(C)(C)OC(=O)NC12CCC(C(=O)NCCC3=NC(=O)O[N-]3)(CC1)CC2	REAL300025566811	0	54	-1.0	-45.57	406.53	2.11	-43.46
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025566812	0	44	-1.0	-46.27	367.68	-0.30	-46.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Cl)=C1C(F)(F)F	REAL300025566813	0	30	-1.0	-51.36	290.10	2.77	-48.59
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300025566814	0	34	-1.0	-47.40	317.83	3.98	-43.42
COC1=NN(C)C(Br)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566815	0	31	-1.0	-47.40	303.38	-2.37	-49.77
CC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025566816	0	34	-1.0	-53.21	304.11	0.50	-52.71
CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C[C@H](C(C)(C)C)C1	REAL300025566817	0	59	-1.0	-44.88	440.99	4.39	-40.49
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566818	0	51	-1.0	-49.94	405.88	0.85	-49.09
CC(C)(C)OC(=O)N1CC(CC(=O)NCCC2=NC(=O)O[N-]2)C2CCCCC21	REAL300025566819	0	57	-1.0	-49.19	428.65	4.21	-44.98
O=C(CC1=CC(C(F)(F)F)=CO1)NCCC1=NC(=O)O[N-]1	REAL300025566820	0	30	-1.0	-49.22	289.50	1.42	-47.80
CS(=O)(=O)C1(C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)CC1	REAL300025566821	0	40	-1.0	-69.83	343.90	0.73	-69.10
CC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)SC2=C(C)S1	REAL300025566822	0	33	-1.0	-45.31	317.15	3.51	-41.80
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC2=CC=C(OC3=CC=CC=C3)C=C2C1=O	REAL300025566823	0	44	-1.0	-55.47	381.22	4.49	-50.98
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C1=O	REAL300025566823	1	43	-2.0	-86.74	378.54	4.10	-82.64
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566824	0	51	-1.0	-51.09	401.24	4.34	-46.75
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566825	0	50	-1.0	-52.01	395.14	1.50	-50.51
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025566826	0	52	-1.0	-46.47	404.12	4.79	-41.68
O=C(NCCC1=NC(=O)O[N-]1)C1=C2SC(Cl)=C(Cl)C2=CC=C1	REAL300025566827	0	30	-1.0	-47.54	310.53	3.98	-43.56
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025566828	0	39	-1.0	-47.00	316.73	-1.74	-48.74
O=C(CN1C=CC2=CC(F)=CC=C21)NCCC1=NC(=O)O[N-]1	REAL300025566829	0	34	-1.0	-51.30	307.59	3.76	-47.54
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)NCCC1=NC(=O)O[N-]1)C3=O	REAL300025566830	0	43	-1.0	-52.14	356.96	4.63	-47.51
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025566831	0	41	-1.0	-51.93	346.13	3.39	-48.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCCC2=O)OC1=O	REAL300025566832	0	35	-1.0	-53.56	309.09	2.40	-51.16
COC1=CC2=NC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2C=C1	REAL300025566833	0	36	-1.0	-47.68	308.82	1.22	-46.46
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CC12CCOCC2	REAL300025566834	0	55	-1.0	-46.01	433.93	0.99	-45.02
CC(C)(C)OC(=O)NCC12CCC(C(=O)NCCC3=NC(=O)O[N-]3)(CC1)CO2	REAL300025566835	0	55	-1.0	-47.76	424.31	0.97	-46.79
CC(C)(C)OC(=O)N1C2=CC=CC=C2CCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566836	0	51	-1.0	-54.16	400.76	5.42	-48.74
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566837	0	50	-1.0	-53.80	397.65	2.94	-50.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CSC(Cl)=C1Cl	REAL300025566838	0	24	-1.0	-47.87	264.63	1.57	-46.30
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300025566839	0	39	-1.0	-53.09	336.63	1.00	-52.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300025566840	0	34	-1.0	-47.93	310.69	2.76	-45.17
O=C(NCCC1=NC(=O)O[N-]1)C1=CNC=C1Br	REAL300025566841	0	25	-1.0	-53.03	250.03	0.02	-53.01
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NCCC1=NC(=O)O[N-]1	REAL300025566842	0	37	-1.0	-57.52	341.14	1.17	-56.35
CS(=O)(=O)C1=COC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566843	0	30	-1.0	-53.08	290.58	-2.99	-56.07
O=C(CC1=CC=C2COCCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025566844	0	38	-1.0	-49.21	321.64	2.30	-46.91
O=C(CC1=CC=C2CCOCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025566845	0	38	-1.0	-49.22	321.64	2.30	-46.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL300025566846	0	36	-1.0	-45.30	319.09	3.23	-42.07
CC1=NC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025566847	0	29	-1.0	-42.27	280.24	0.95	-41.32
COC1=CC(Br)=CN=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566848	0	30	-1.0	-45.92	289.34	1.00	-44.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O	REAL300025566849	0	36	-1.0	-56.64	326.52	-0.81	-57.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2SCCC(=O)C2=C1	REAL300025566850	0	34	-1.0	-52.64	307.74	2.82	-49.82
CCC1=CC=C(N2C=C(C(=O)NCCC3=NC(=O)O[N-]3)N=N2)C=C1	REAL300025566851	0	39	-1.0	-44.59	343.48	2.68	-41.91
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025566852	0	42	-1.0	-49.38	372.12	0.97	-48.41
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566853	0	42	-1.0	-53.39	372.14	0.95	-52.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300025566854	0	32	-2.0	-86.21	307.33	0.19	-86.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)NC(=S)NC2=C1	REAL300025566854	1	33	-1.0	-48.90	310.42	0.62	-48.28
CC(C)(C)OC(=O)N1CCC(F)(F)CC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566855	0	47	-1.0	-51.19	378.73	3.10	-48.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(OC2=CC=CC=C2Cl)=CC=N1	REAL300025566856	0	37	-1.0	-48.16	346.98	3.28	-44.88
CC(C)CC(CCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566857	0	48	-1.0	-46.32	382.92	6.34	-39.98
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566858	0	38	-1.0	-46.72	325.77	3.34	-43.38
CC1=NN=NN1C1=CC(F)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566859	0	35	-1.0	-52.78	317.05	1.62	-51.16
CC1(C)CCC(=O)C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025566860	0	42	-1.0	-54.48	341.80	3.96	-50.52
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CN=CC(Br)=C2S1	REAL300025566861	0	29	-1.0	-42.90	298.11	1.79	-41.11
O=C(CC1=CC=C(N2CCOCC2)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025566862	0	43	-1.0	-48.63	351.94	1.05	-47.58
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1	REAL300025566863	0	40	-1.0	-50.25	340.34	2.72	-47.53
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br	REAL300025566864	0	34	-1.0	-46.91	316.63	4.05	-42.86
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2CCC1C2	REAL300025566865	0	54	-1.0	-47.13	412.27	2.41	-44.72
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(=O)N(CC(F)(F)F)C1	REAL300025566866	0	37	-1.0	-49.64	322.12	1.10	-48.54
CC1=CN=C(N2CCOCC2)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566867	0	41	-1.0	-43.47	340.27	0.66	-42.81
CS(=O)(=O)C1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566868	0	33	-1.0	-51.65	325.26	-0.31	-51.96
O=C(NCCC1=NC(=O)O[N-]1)C1=NSC2=CC(Br)=CC=C21	REAL300025566869	0	29	-1.0	-42.01	295.30	2.16	-39.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=C2OC=CC2=C1	REAL300025566870	0	30	-1.0	-45.83	291.84	2.50	-43.33
CC(C)(C)OC(=O)N1CC2CCCCCC2(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566871	0	57	-1.0	-47.76	405.97	4.10	-43.66
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C2=NC=CC=C2S1	REAL300025566872	0	29	-1.0	-49.93	290.56	1.58	-48.35
N#CC1=CC=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025566873	0	34	-1.0	-48.19	315.62	3.43	-44.76
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=C2OCC(=O)NC2=C1	REAL300025566874	0	33	-1.0	-50.44	298.55	-1.15	-51.59
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566875	0	35	-1.0	-44.34	305.48	3.57	-40.77
O=C(NCCC1=NC(=O)O[N-]1)C1CCC1C1=CC=CC=C1Cl	REAL300025566876	0	37	-1.0	-49.83	325.19	4.39	-45.44
COCCN1C=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025566877	0	41	-1.0	-49.63	352.55	3.25	-46.38
CC(C)N1C=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025566878	0	40	-1.0	-49.70	336.91	4.66	-45.04
O=C(C=CC1=CC=C2OCOC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025566879	0	34	-1.0	-49.13	303.88	1.40	-47.73
CN1C2=CC(Cl)=C(Cl)C=C2C(C(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025566880	0	34	-1.0	-46.17	348.98	4.50	-41.67
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=NC=C2C=C1	REAL300025566881	0	32	-1.0	-50.02	303.00	2.55	-47.47
CC12CCCN1S(=O)(=O)C(C(=O)NCCC1=NC(=O)O[N-]1)C2	REAL300025566882	0	39	-1.0	-54.21	327.00	-2.11	-56.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=NN1CCC(F)(F)F	REAL300025566883	0	33	-1.0	-44.85	305.22	1.26	-43.59
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566884	0	38	-1.0	-48.05	339.72	3.48	-44.57
CN1N=CC(Cl)=C1C1=NOC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566885	0	33	-1.0	-43.34	317.49	0.55	-42.79
O=C(C=CC1=CC=C(Cl)C=C1F)NCCC1=NC(=O)O[N-]1	REAL300025566886	0	31	-1.0	-48.31	300.07	3.30	-45.01
CC(=O)NC(COC(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566887	0	40	-1.0	-53.12	335.74	-0.43	-53.55
CCCCOC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025566888	0	44	-1.0	-46.81	372.11	4.56	-42.25
COC1=CC2=CC=C(CC(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025566889	0	40	-1.0	-50.26	343.39	3.77	-46.49
CC(C)CC(CC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566890	0	45	-1.0	-45.70	358.58	5.53	-40.17
COC1=CC=C(Br)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025566891	0	34	-1.0	-46.40	314.71	1.83	-44.57
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=C(Cl)C=C1Br	REAL300025566892	0	27	-1.0	-42.94	299.57	2.85	-40.09
COC1=NC=C(Cl)C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566893	0	33	-1.0	-45.03	307.81	-0.86	-45.89
CCCCC(C(=O)NCCC1=NC(=O)O[N-]1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300025566894	0	52	-1.0	-44.16	410.69	8.42	-35.74
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566895	0	37	-1.0	-59.69	335.71	0.84	-58.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(Br)C(F)=C1	REAL300025566896	0	27	-1.0	-42.28	275.98	2.24	-40.04
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL300025566897	0	33	-1.0	-49.15	305.41	2.21	-46.94
CC(C)(C)OC(=O)N[C@@H]1CCC=CCC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566898	0	54	-1.0	-52.16	401.55	4.09	-48.07
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=C(F)C2=CC=CC=C21	REAL300025566899	0	32	-1.0	-42.79	287.16	2.12	-40.67
COC(=O)C1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025566900	0	36	-1.0	-49.27	328.45	1.58	-47.69
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025566901	0	36	-1.0	-47.11	323.43	3.70	-43.41
CC(CC(=O)NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(F)=C1	REAL300025566902	0	36	-1.0	-45.58	315.47	3.57	-42.01
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=NNC=C2)=CC=C1F	REAL300025566903	0	34	-1.0	-52.66	306.66	1.66	-51.00
CC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2)C(F)=C1	REAL300025566904	0	37	-1.0	-48.22	322.51	4.14	-44.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300025566905	0	27	-2.0	-94.94	271.13	1.66	-93.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C=C1O	REAL300025566905	1	28	-1.0	-44.25	274.69	0.65	-43.60
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C2=NNC=N2)=N1	REAL300025566906	0	35	-1.0	-50.19	325.66	0.88	-49.31
C=CCN(C)C1=CC=C(S(N)(=O)=O)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566907	0	44	-1.0	-52.42	382.69	-1.56	-53.98
O=C(COC1=CC=CC=C1)NC1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566908	0	45	-1.0	-48.76	383.07	4.44	-44.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1NC(=O)N1CCCCC1	REAL300025566909	0	46	-1.0	-47.40	368.16	3.83	-43.57
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1	REAL300025566910	0	36	-1.0	-47.62	339.32	2.02	-45.60
O=C(NCCC1=NC(=O)O[N-]1)C1=C2N=CNC2=CC(Br)=C1	REAL300025566911	0	30	-1.0	-54.28	289.75	1.96	-52.32
O=C(NCCC1=NC(=O)O[N-]1)C1=C2NC=NC2=CC(Br)=C1	REAL300025566911	1	30	-1.0	-44.93	288.28	1.94	-42.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300025566912	0	37	-1.0	-53.73	320.92	2.58	-51.15
CN(CC1=CC=CO1)C(=O)NCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025566913	0	39	-1.0	-49.31	341.23	-0.06	-49.37
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300025566914	0	40	-1.0	-53.77	354.91	4.16	-49.61
CC(C)(C)OC(=O)N1CCC2=C(C(=O)NCCC3=NC(=O)O[N-]3)NN=C2C1	REAL300025566915	0	48	-1.0	-47.61	389.16	1.16	-46.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)N=NN2CCC1=CC=CC=C1	REAL300025566916	0	45	-1.0	-52.35	390.44	4.65	-47.70
O=C(CC1=CC=C2NC(=O)CCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025566917	0	38	-1.0	-50.98	327.76	1.41	-49.57
CSC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025566918	0	33	-1.0	-46.27	307.05	3.08	-43.19
CC(C)(OC1=C(F)C=CC=C1F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566919	0	37	-1.0	-53.38	318.95	3.32	-50.06
NS(=O)(=O)C1=COC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566920	0	29	-1.0	-51.11	284.03	-5.57	-56.68
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NN1C1=NC=CC=C1Cl	REAL300025566921	0	33	-1.0	-47.25	323.10	3.94	-43.31
O=C(NCCC1=NC(=O)O[N-]1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300025566922	0	37	-1.0	-48.46	329.13	2.64	-45.82
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566923	0	41	-1.0	-55.75	347.32	0.42	-55.33
O=C(NCCC1=NC(=O)O[N-]1)C(O)C1=CC=C(F)C(Cl)=C1F	REAL300025566924	0	31	-1.0	-43.82	298.67	0.98	-42.84
C[C@@H]1CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)NN=C2[C@H](C)O1	REAL300025566925	0	38	-1.0	-44.58	320.02	-0.45	-45.03
O=C(CCC1=C(Br)C=CS1)NCCC1=NC(=O)O[N-]1	REAL300025566926	0	30	-1.0	-44.85	299.01	2.66	-42.19
O=C(CC1=C(Br)C=C2N=CNC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025566927	0	33	-1.0	-53.20	311.26	2.34	-50.86
O=C(CC1=C(Br)C=C2NC=NC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025566927	1	33	-1.0	-52.05	311.12	2.35	-49.70
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566928	0	48	-1.0	-51.88	378.65	4.46	-47.42
CC(C)OC1=CC=C(Cl)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566929	0	36	-1.0	-48.20	324.68	2.35	-45.85
C=CCOC1=CC=C(Cl)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566930	0	34	-1.0	-48.57	319.65	2.32	-46.25
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=CC=CC=C2F)=NO1	REAL300025566931	0	35	-1.0	-57.79	315.90	3.01	-54.78
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2CC2(F)F)C=C1	REAL300025566932	0	34	-1.0	-48.17	304.78	3.77	-44.40
O=C(CCCCCC(=O)NC1=CC=CC=C1)NCCC1=NC(=O)O[N-]1	REAL300025566933	0	46	-1.0	-56.72	387.60	3.62	-53.10
CS(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025566934	0	33	-1.0	-54.31	316.48	-0.41	-54.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1C(F)(F)F	REAL300025566935	0	33	-1.0	-48.28	312.49	3.59	-44.69
NC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C(F)C(Br)=C1F	REAL300025566936	0	29	-1.0	-40.98	285.61	0.47	-40.51
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2CCC1CC2	REAL300025566937	0	57	-1.0	-46.20	424.38	3.07	-43.13
C[C@@H]1C[C@H]2[C@H](C[C@H](C(=O)NCCC3=NC(=O)O[N-]3)N2C(=O)OC(C)(C)C)O1	REAL300025566938	0	52	-1.0	-50.91	406.53	2.58	-48.33
CC(C)(C)OC(=O)NCC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025566939	0	43	-1.0	-44.97	370.45	-0.58	-45.55
O=C(NCCC1=NC(=O)O[N-]1)C1=NC(C2CC2)=NC=C1Cl	REAL300025566940	0	32	-1.0	-42.54	300.65	1.78	-40.76
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CC1(F)F	REAL300025566941	0	34	-1.0	-50.11	306.12	3.36	-46.75
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NC2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566942	0	49	-1.0	-55.06	399.80	-0.57	-55.63
CN(C)C1=CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025566943	0	41	-1.0	-48.17	341.68	4.19	-43.98
COC1(CC(=O)NCCC2=NC(=O)O[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300025566944	0	48	-1.0	-55.04	390.13	1.31	-53.73
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=NNN=C2)CCCC1	REAL300025566945	0	39	-1.0	-45.48	313.75	0.95	-44.53
O=C(NCCC1=NC(=O)O[N-]1)C1(CC2=CNN=N2)CCCC1	REAL300025566945	1	39	-1.0	-55.68	319.39	0.55	-55.13
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566946	0	48	-1.0	-47.03	377.16	3.65	-43.38
CN1N=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C(C3CC3)N=C21	REAL300025566947	0	39	-1.0	-47.35	334.96	2.65	-44.70
CC(C)(C)OC(=O)N[C@]1(C(=O)NCCC2=NC(=O)O[N-]2)C[C@@H]2CC[C@@H](C2)C1	REAL300025566948	0	54	-1.0	-49.90	393.75	3.57	-46.33
O=C(NCCC1=NC(=O)O[N-]1)C12CCC(C(F)(F)F)(CC1)C2	REAL300025566949	0	37	-1.0	-46.25	316.28	2.91	-43.34
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566950	0	47	-1.0	-53.91	378.50	0.78	-53.13
CC(C)(C)OC(=O)NCC12CC(C(=O)NCCC3=NC(=O)O[N-]3)(CO1)CCC2	REAL300025566951	0	55	-1.0	-48.92	423.84	0.77	-48.15
COC1=CC=C(C=CC(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1OC	REAL300025566952	0	43	-1.0	-51.84	371.77	2.01	-49.83
CC(C)(C)OC(=O)N1C=COCC1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566953	0	43	-1.0	-52.27	351.26	1.41	-50.86
CC(C)(C)OC(=O)NCC1(C(=O)NCCC2=NC(=O)O[N-]2)CC(C)(C)C1	REAL300025566954	0	53	-1.0	-46.18	414.98	1.76	-44.42
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)(C2CC2)C1	REAL300025566955	0	51	-1.0	-48.12	396.04	4.13	-43.99
CC=CC1=CC=C(OCC(=O)NCCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025566956	0	42	-1.0	-53.89	358.86	3.84	-50.05
CC(C)(C)OC(=O)NC1=CC=C(C2(C(=O)NCCC3=NC(=O)O[N-]3)CC2)C=C1	REAL300025566957	0	51	-1.0	-46.88	416.64	3.54	-43.34
CC(C)(C)OC(=O)NC1CCOC(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566958	0	51	-1.0	-52.88	407.69	0.95	-51.93
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566959	0	51	-1.0	-48.81	389.97	2.78	-46.03
CC(C)(C)OC(=O)NC1CC2(C1)CCC(C(=O)NCCC1=NC(=O)O[N-]1)CC2	REAL300025566960	0	57	-1.0	-49.79	438.94	3.19	-46.60
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCOC2)N=C1Cl	REAL300025566961	0	34	-1.0	-49.15	304.94	0.24	-48.91
O=C(NCCC1=NC(=O)O[N-]1)C1CCC(OC2=CC=CC=C2)CC1	REAL300025566962	0	44	-1.0	-51.31	348.85	4.04	-47.27
CC1=NN=C(CC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)O1	REAL300025566963	0	38	-1.0	-51.89	338.21	-1.08	-52.97
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCCC3=NC(=O)O[N-]3)C2)CC1	REAL300025566964	0	54	-1.0	-49.58	417.09	4.10	-45.48
CC(C)(C)OC(=O)N1CC2=CC=NN2CC(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025566965	0	51	-1.0	-49.55	408.71	2.47	-47.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(Br)C=CC=C2C=C1	REAL300025566966	0	33	-1.0	-50.21	307.78	4.31	-45.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1	REAL300025566967	0	39	-1.0	-49.70	339.57	5.32	-44.38
CC1=CC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CN=C2C(F)=C1	REAL300025566968	0	35	-1.0	-46.82	312.20	2.66	-44.16
CC(C)(C)OC1=CC(Br)=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025566969	0	40	-1.0	-45.15	344.96	3.28	-41.87
CN1C=C(C2=NC(C(=O)NCCC3=NC(=O)O[N-]3)=CO2)C=N1	REAL300025566970	0	33	-1.0	-47.84	307.17	-2.30	-50.14
COC1=C2C=C(C(=O)NCCC3=NC(=O)O[N-]3)NC2=C(C)C=C1	REAL300025566971	0	38	-1.0	-48.42	327.77	1.42	-47.00
CCCCOC1=CC=C(CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025566972	0	43	-1.0	-48.12	362.28	4.03	-44.09
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025566973	0	44	-1.0	-55.83	381.02	-0.07	-55.90
COC1=NC2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2C=C1	REAL300025566974	0	36	-1.0	-46.85	316.53	0.42	-46.43
O=C(NCCC1=NC(=O)O[N-]1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300025566975	0	37	-1.0	-45.69	340.23	2.30	-43.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(Cl)S1	REAL300025566976	0	24	-1.0	-42.07	268.48	1.65	-40.42
COC1CC2(C1)CCC(C(=O)NCCC1=NC(=O)O[N-]1)CC2	REAL300025566977	0	44	-1.0	-46.10	346.34	2.41	-43.69
CCCC(CCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566978	0	45	-1.0	-47.46	364.94	5.54	-41.92
CCC(C)(C)C1CCC(C(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025566979	0	48	-1.0	-44.85	352.11	4.28	-40.57
CN1C=C(C2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=NO2)N=N1	REAL300025566980	0	32	-1.0	-50.27	300.87	-0.86	-51.13
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2OCCC(=O)C2=C1	REAL300025566981	0	34	-1.0	-53.87	299.26	1.29	-52.58
CCC(CCC1=CC=CC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566982	0	42	-1.0	-46.84	344.42	5.05	-41.79
COC1(C(F)(F)C(=O)NCCC2=NC(=O)O[N-]2)CCCC1	REAL300025566983	0	37	-1.0	-41.81	302.49	1.18	-40.63
O=C(CCC1=CC=C2CCOCC2=C1)NCCC1=NC(=O)O[N-]1	REAL300025566984	0	41	-1.0	-46.41	343.04	3.11	-43.30
O=C(NCCC1=NC(=O)O[N-]1)C1CC12CCC(F)(F)CC2	REAL300025566985	0	37	-1.0	-46.85	309.63	3.16	-43.69
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)N=C1Br	REAL300025566986	0	29	-1.0	-44.05	280.22	0.89	-43.16
CN(C)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025566987	0	37	-1.0	-46.41	323.71	2.80	-43.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300025566988	0	31	-1.0	-46.21	291.32	1.39	-44.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C(F)=C1Br	REAL300025566989	0	30	-1.0	-47.19	303.11	3.20	-43.99
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300025566990	0	35	-1.0	-44.46	332.64	3.64	-40.82
N#CC1=CC=C(C2=C(C(=O)NCCC3=NC(=O)O[N-]3)N=CO2)C=C1	REAL300025566991	0	34	-1.0	-47.18	319.48	0.33	-46.85
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566992	0	51	-1.0	-55.32	403.47	4.36	-50.96
CC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300025566993	0	37	-1.0	-42.74	334.73	3.49	-39.25
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566994	0	47	-1.0	-43.47	387.07	1.56	-41.91
CC(C)(C)C1=CC=NC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=NN21	REAL300025566995	0	41	-1.0	-56.12	341.48	2.94	-53.18
O=C(NCCC1=NC(=O)O[N-]1)C12CCCN1C(=O)CCCC2	REAL300025566996	0	41	-1.0	-45.94	314.80	2.05	-43.89
O=C(NCCC1=NC(=O)O[N-]1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300025566997	0	37	-1.0	-45.97	329.53	4.11	-41.86
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025566998	0	38	-1.0	-50.78	318.54	3.27	-47.51
O=C(CCC1=CC=CC(Br)=C1F)NCCC1=NC(=O)O[N-]1	REAL300025566999	0	33	-1.0	-47.34	315.38	3.66	-43.68
CC(C)(C)OC(=O)NC(CC1=CSC=C1)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567000	0	47	-1.0	-44.74	388.00	1.44	-43.30
O=C(NCCC1=NC(=O)O[N-]1)C(C1=CC=CC(C(F)(F)F)=C1)C1CCCCC1	REAL300025567001	0	49	-1.0	-44.10	404.09	6.69	-37.41
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCCC3=NC(=O)O[N-]3)C[C@@H]12	REAL300025567002	0	45	-1.0	-47.26	372.87	1.00	-46.26
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(C(F)F)=NN1C	REAL300025567003	0	33	-1.0	-50.60	304.97	0.55	-50.05
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567004	0	38	-1.0	-58.41	318.73	0.28	-58.13
COC1=CC(Br)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025567005	0	31	-1.0	-44.89	295.17	1.55	-43.34
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567006	0	45	-1.0	-48.28	370.41	1.18	-47.10
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567007	0	48	-1.0	-52.38	389.54	3.03	-49.35
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C12COC2	REAL300025567008	0	49	-1.0	-52.08	387.84	1.12	-50.96
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)CN(C1CCC(=O)NC1=O)C2=O	REAL300025567009	0	45	-1.0	-53.17	381.96	-0.12	-53.29
O=C(NCCC1=NC(=O)O[N-]1)C1=C2CN(C3CCC(=O)NC3=O)C(=O)C2=CC=C1	REAL300025567010	0	45	-1.0	-54.99	380.44	-0.19	-55.18
CC1(C)OC2=CC(C(=O)NCCC3=NC(=O)O[N-]3)=CC=C2NC1=O	REAL300025567011	0	39	-1.0	-49.30	333.63	0.09	-49.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C1CCC(=O)N2	REAL300025567012	0	35	-1.0	-48.25	297.36	0.69	-47.56
CN1N=CC2=NC(C(F)F)=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025567013	0	35	-1.0	-50.60	313.04	0.48	-50.12
COC(=O)C1=CC=CC2=C(C(=O)NCCC3=NC(=O)O[N-]3)C=CC=C12	REAL300025567014	0	39	-1.0	-47.11	334.10	4.26	-42.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=CC2=C1CCNC2=O	REAL300025567015	0	34	-1.0	-45.12	292.59	-1.80	-46.92
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=C(CCCNC2=O)S1	REAL300025567016	0	35	-1.0	-53.22	312.86	-0.19	-53.41
CN(C)C(=O)C1=CN=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567017	0	36	-1.0	-53.29	309.45	-0.50	-53.79
O=C(NCCC1=NC(=O)O[N-]1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300025567018	0	31	-1.0	-47.09	297.92	0.73	-46.36
CCOCC(NC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567019	0	47	-1.0	-46.71	386.88	-0.68	-47.39
CC(C)(C)OC(=O)N1CC(CC(=O)NCCC2=NC(=O)O[N-]2)OCC12CCC2	REAL300025567020	0	55	-1.0	-50.47	423.96	3.07	-47.40
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)SC(C(C)NC(=O)OC(C)(C)C)=N1	REAL300025567021	0	49	-1.0	-44.46	415.96	0.70	-43.76
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)NCCC3=NC(=O)O[N-]3)C2)C1	REAL300025567022	0	54	-1.0	-52.32	417.20	4.07	-48.25
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567023	0	50	-1.0	-47.41	392.26	2.80	-44.61
CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567024	0	54	-1.0	-52.17	421.22	4.52	-47.65
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567025	0	47	-1.0	-52.57	378.67	0.80	-51.77
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NCCC2=NC(=O)O[N-]2)O[C@@H]2COC[C@H]21	REAL300025567026	0	53	-1.0	-48.39	411.01	0.86	-47.53
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567027	0	48	-1.0	-49.54	389.69	1.73	-47.81
COC1=CC=CC=C1OC(C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567028	0	38	-1.0	-54.06	323.54	2.44	-51.62
CC(C)(C)OC(=O)NC(C(=O)NCCC1=NC(=O)O[N-]1)(C1CC1)C(F)(F)F	REAL300025567029	0	47	-1.0	-45.49	386.24	1.47	-44.02
CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2=NC(=O)O[N-]2)C12CCC2	REAL300025567030	0	51	-1.0	-48.82	392.41	2.68	-46.14
CN1N=C2CCN(C(=O)OC(C)(C)C)CC2=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567031	0	51	-1.0	-47.99	415.00	2.32	-45.67
CC(C)C(NC(=O)OC(C)(C)C)(C(=O)NCCC1=NC(=O)O[N-]1)C(F)(F)F	REAL300025567032	0	49	-1.0	-49.93	387.18	2.30	-47.63
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567033	0	41	-1.0	-55.75	347.32	0.42	-55.33
O=C(NCCC1=NC(=O)O[N-]1)C1=C(F)C=C(Br)C=C1[N+](=O)[O-]	REAL300025567034	0	29	-1.0	-49.24	299.41	2.99	-46.25
CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1S(=O)(=O)N(C)C	REAL300025567035	0	41	-1.0	-50.27	354.86	0.49	-49.78
CCC1=C(C(=O)NCCC2=NC(=O)O[N-]2)N2C=C(C)SC2=N1	REAL300025567036	0	36	-1.0	-47.05	319.63	3.30	-43.75
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567037	0	48	-1.0	-55.03	378.95	2.87	-52.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300025567038	0	30	-1.0	-48.48	294.63	2.95	-45.53
CC1=CC(F)=C(C(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025567039	0	32	-1.0	-46.55	294.66	2.91	-43.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=NC=C2)=NO1	REAL300025567040	0	32	-1.0	-42.99	297.21	0.78	-42.21
O=C(NCCC1=NC(=O)O[N-]1)C(F)(F)CCC1=CC=CC=C1	REAL300025567041	0	36	-1.0	-41.20	321.08	3.93	-37.27
CC1=CC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)S2)S1	REAL300025567042	0	30	-1.0	-44.70	294.43	2.84	-41.86
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025567043	0	38	-1.0	-51.90	339.48	-2.25	-54.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=CC=C(C(F)(F)F)C=C2S1	REAL300025567044	0	33	-1.0	-43.12	321.42	3.94	-39.18
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)NCCC1=NC(=O)O[N-]1	REAL300025567045	0	40	-1.0	-47.68	352.04	5.13	-42.55
CON(CCC(=O)NCCC1=NC(=O)O[N-]1)C(=O)OC(C)(C)C	REAL300025567046	0	44	-1.0	-47.21	366.86	1.60	-45.61
O=C(NCCC1=NC(=O)O[N-]1)C1=CC2=NNN=C2C(Br)=C1	REAL300025567047	0	29	-1.0	-45.14	284.42	-0.58	-45.72
CC(C)(C)OC(=O)N1CCC(O)(C(C)(C)C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567048	0	54	-1.0	-56.72	414.05	1.00	-55.72
CC(C)(C)OC(=O)NC1=NOC(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567049	0	40	-1.0	-43.98	343.77	0.15	-43.83
COC(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=C(F)C=N1	REAL300025567050	0	32	-1.0	-46.17	298.86	0.48	-45.69
CC(C)OCC1=CC=CC=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025567051	0	43	-1.0	-48.22	359.33	3.71	-44.51
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300025567052	0	34	-1.0	-46.31	324.52	4.35	-41.96
CC1=C(Br)C(C(F)(F)F)=NN1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025567053	0	33	-1.0	-52.16	327.69	1.55	-50.61
O=C(NCCC1=NC(=O)O[N-]1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300025567054	0	43	-1.0	-46.52	342.33	5.12	-41.40
O=C(NCCC1=NC(=O)O[N-]1)C1CC(C2=CC=CC(Br)=C2)=NO1	REAL300025567055	0	35	-1.0	-51.81	332.66	3.49	-48.32
O=C(CN1C=C(I)C=N1)NCCC1=NC(=O)O[N-]1	REAL300025567056	0	27	-1.0	-52.26	276.39	0.73	-51.53
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C2C=C(Br)C=CN12	REAL300025567057	0	30	-1.0	-45.74	290.07	2.47	-43.27
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Cl)C=NN1C1CCCC1	REAL300025567058	0	37	-1.0	-42.94	330.71	2.59	-40.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=N2)=NN1	REAL300025567059	0	33	-1.0	-48.75	301.41	-0.12	-48.87
O=C(NCCC1=NC(=O)O[N-]1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300025567060	0	37	-1.0	-55.28	331.25	-2.11	-57.39
CC(C)(C)OC(=O)NC1CC2CCC1(C(=O)NCCC1=NC(=O)O[N-]1)C2(C)C	REAL300025567061	0	57	-1.0	-45.20	423.27	3.56	-41.64
CC(C)(C)OC(=O)NC1(C(=O)NCCC2=NC(=O)O[N-]2)CC2CCC(C2)C1	REAL300025567062	0	54	-1.0	-49.82	393.69	3.70	-46.12
NC1=NC(Cl)=C(Cl)N=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567063	0	27	-1.0	-38.06	277.39	-2.11	-40.17
COC1=C(Cl)C=C(C(=O)NCCC2=NC(=O)O[N-]2)C2=NC=CC=C21	REAL300025567064	0	36	-1.0	-51.02	331.29	2.40	-48.62
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025567065	0	42	-1.0	-48.58	359.13	1.64	-46.94
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567066	0	48	-1.0	-46.77	388.81	2.61	-44.16
N#CC1=CC=CC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567507	0	32	-1.0	-47.76	307.60	0.54	-47.22
COCCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025567508	0	42	-1.0	-46.08	368.03	-0.33	-46.41
COC(=O)C1CCN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025567509	0	39	-1.0	-44.92	333.79	-0.86	-45.78
O=C1N=C(CCNS(=O)(=O)C2=CC=C3C(=C2)CC2=CC=CC=C23)[N-]O1	REAL300025567510	0	39	-1.0	-44.57	347.19	3.55	-41.02
CC(C)CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567511	0	40	-1.0	-42.22	344.19	2.12	-40.10
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)C=C3NC(=O)COC3=C2)[N-]O1	REAL300025567512	0	34	-1.0	-43.90	315.29	-3.29	-47.19
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C(Cl)=C2)[N-]O1	REAL300025567513	0	28	-1.0	-39.58	294.89	0.41	-39.17
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C(C(F)(F)F)=C2)[N-]O1	REAL300025567514	0	31	-1.0	-39.56	314.89	0.84	-38.72
CCC(C)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567515	0	40	-1.0	-42.31	341.66	2.02	-40.29
CC1=NN(C)C(C)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567516	0	34	-1.0	-46.18	299.67	-1.54	-47.72
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(Cl)=C2)[N-]O1	REAL300025567517	0	28	-1.0	-40.64	279.70	-0.05	-40.69
COC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567518	0	34	-1.0	-42.96	317.74	0.09	-42.87
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567519	0	43	-1.0	-43.60	353.89	2.65	-40.95
COC(=O)C1=CC=C(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567520	0	37	-1.0	-46.80	341.54	0.82	-45.98
O=C1N=C(CCNS(=O)(=O)C2=CC=C3NC(=O)OC3=C2)[N-]O1	REAL300025567521	0	31	-1.0	-43.54	294.72	-3.07	-46.61
CC(=O)N1C2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2CC1C	REAL300025567522	0	42	-1.0	-53.57	357.96	1.02	-52.55
CCOC(=O)C1=CNN=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567523	0	34	-1.0	-50.43	315.86	-1.99	-52.42
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025567523	1	33	-2.0	-116.29	313.58	-2.35	-118.64
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=C1	REAL300025567524	0	34	-1.0	-44.14	309.84	0.21	-43.93
O=C1N=C(CCNS(=O)(=O)CC2=CC=C([N+](=O)[O-])C=C2)[N-]O1	REAL300025567525	0	33	-1.0	-45.57	314.95	0.83	-44.74
CC1=CC2=CC=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=C2N=C1	REAL300025567526	0	36	-1.0	-47.86	316.55	1.20	-46.66
CCCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567527	0	38	-1.0	-42.09	335.81	0.46	-41.63
O=C1N=C(CCNS(=O)(=O)CC2=CC=C(F)C=C2)[N-]O1	REAL300025567528	0	31	-1.0	-43.46	293.14	0.22	-43.24
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025567529	0	31	-1.0	-43.98	286.08	0.16	-43.82
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)[N-]O1	REAL300025567530	0	32	-1.0	-44.78	300.08	-0.24	-45.02
COC(=O)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567531	0	34	-1.0	-43.99	317.76	0.08	-43.91
CN1C(=O)C2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2C1=O	REAL300025567532	0	35	-1.0	-42.99	328.59	-1.31	-44.30
O=C1N=C(CCNS(=O)(=O)C2=CC=C3OCC(=O)NC3=C2)[N-]O1	REAL300025567533	0	34	-1.0	-43.69	313.71	-3.34	-47.03
NS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567534	0	33	-1.0	-47.39	317.21	-5.61	-53.00
O=C1N=C(CCNS(=O)(=O)C2=CC=CN=C2Cl)[N-]O1	REAL300025567535	0	27	-1.0	-47.16	259.85	-2.38	-49.54
CN1C(=O)CC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025567536	0	36	-1.0	-44.47	326.26	-0.11	-44.58
O=C1N=C(CCNS(=O)(=O)C2=CC=C3NC(=O)C(=O)NC3=C2)[N-]O1	REAL300025567537	0	34	-1.0	-49.61	319.52	-3.58	-53.19
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567538	0	34	-1.0	-51.02	323.67	-3.05	-54.07
O=C1N=C(CCNS(=O)(=O)N2CCC3=CC=CC=C3C2)[N-]O1	REAL300025567539	0	37	-1.0	-41.50	315.62	0.58	-40.92
O=C1N=C(CCNS(=O)(=O)C2=CC=C3OC(=O)C=CC3=C2)[N-]O1	REAL300025567540	0	33	-1.0	-47.83	310.81	0.93	-46.90
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)[N-]O1	REAL300025567541	0	32	-1.0	-40.21	308.98	-0.77	-40.98
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CN=C12	REAL300025567542	0	36	-1.0	-45.52	319.22	0.72	-44.80
CN1C(=O)OC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025567543	0	34	-1.0	-50.89	317.11	-0.61	-51.50
O=C1N=C(CCNS(=O)(=O)C2=CC=C3NC(=O)NC(=O)C3=C2)[N-]O1	REAL300025567544	0	34	-1.0	-51.96	318.48	-4.19	-56.15
CC1=CC(F)=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567545	0	31	-1.0	-41.72	284.09	0.40	-41.32
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567546	0	36	-1.0	-43.45	330.77	1.00	-42.45
O=C1N=C(CCNS(=O)(=O)C2=CC=C(I)C=C2)[N-]O1	REAL300025567547	0	28	-1.0	-40.79	290.75	0.53	-40.26
CNS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567548	0	36	-1.0	-47.87	339.58	-4.40	-52.27
CS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567549	0	34	-1.0	-49.49	323.67	-3.05	-52.54
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2C2=CC=CC=C2)[N-]O1	REAL300025567550	0	38	-1.0	-46.38	332.23	3.08	-43.30
O=C1N=C(CCNS(=O)(=O)C2=CC=C(F)C=C2Cl)[N-]O1	REAL300025567551	0	28	-1.0	-41.91	271.06	-0.44	-42.35
O=C(C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CN1)N1CCCC1	REAL300025567552	0	40	-1.0	-56.99	348.91	-1.23	-58.22
CC(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025567553	0	35	-1.0	-56.67	317.60	-1.93	-58.60
O=C1N=C(CCNS(=O)(=O)C2=CC3=C(C=C2)OC2=C3C=CC=C2)[N-]O1	REAL300025567554	0	37	-1.0	-45.53	337.16	2.14	-43.39
CN(C)S(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567555	0	39	-1.0	-46.11	357.72	-2.53	-48.64
CC1CC(C)CN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567556	0	39	-1.0	-41.25	312.07	-0.28	-41.53
COC1=CC(F)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025567557	0	36	-1.0	-44.98	319.93	-1.60	-46.58
COC1=CC(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1OC	REAL300025567558	0	39	-1.0	-46.38	337.24	-0.59	-46.97
CCOC(=O)C1CCN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025567559	0	42	-1.0	-43.77	357.60	0.19	-43.58
CN1C=NC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025567560	0	28	-1.0	-46.25	280.45	-1.01	-47.26
CN1C=NC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1Cl	REAL300025567560	1	27	-2.0	-109.71	278.20	-1.38	-111.09
COCCN(CCOC)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567561	0	40	-1.0	-40.46	336.74	-3.35	-43.81
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025567562	0	31	-1.0	-41.88	300.86	0.83	-41.05
O=C1N=C(CCNS(=O)(=O)C2=CC=C(S(=O)(=O)NC3CC3)C=C2)[N-]O1	REAL300025567563	0	40	-1.0	-47.33	371.98	-2.72	-50.05
CN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(N)=O	REAL300025567564	0	33	-1.0	-46.08	304.98	-4.40	-50.48
CN(C1CCCCC1)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567565	0	39	-1.0	-41.66	315.37	-0.21	-41.87
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567566	0	34	-1.0	-43.71	319.36	0.14	-43.57
CCOC(=O)C1CCCN1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567567	0	39	-1.0	-47.15	338.55	0.18	-46.97
COCCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567568	0	39	-1.0	-43.81	347.94	-1.07	-44.88
CS(=O)(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567569	0	34	-1.0	-49.72	325.35	-2.99	-52.71
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025567570	0	32	-1.0	-41.49	308.50	-0.71	-42.20
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025567571	0	32	-1.0	-42.01	298.69	-1.20	-43.21
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025567572	0	35	-1.0	-42.65	312.55	-0.53	-43.18
CCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025567573	0	38	-1.0	-43.49	334.40	0.40	-43.09
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(N)=O	REAL300025567574	0	35	-1.0	-44.45	313.59	-3.12	-47.57
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(N)=O	REAL300025567575	0	36	-1.0	-47.31	324.80	-3.19	-50.50
CC(C)OC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025567576	0	44	-1.0	-45.13	372.12	2.69	-42.44
O=C(C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1)N1CCOCC1	REAL300025567577	0	43	-1.0	-43.43	369.08	-1.06	-44.49
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567578	0	33	-1.0	-42.77	305.92	0.99	-41.78
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)C=C3CCC(=O)NC3=C2)[N-]O1	REAL300025567579	0	36	-1.0	-45.11	324.43	-1.33	-46.44
CNC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CN1C	REAL300025567580	0	36	-1.0	-46.29	326.86	-2.92	-49.21
CC1=CC=C(Cl)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567581	0	31	-1.0	-43.59	294.43	0.86	-42.73
CC(C)COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567582	0	41	-1.0	-42.01	355.92	1.15	-40.86
O=C1N=C(CCNS(=O)(=O)C2=CC=C3NC(=O)CCCC3=C2)[N-]O1	REAL300025567583	0	39	-1.0	-44.24	338.44	-0.44	-44.68
COC1=C(C)C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025567584	0	38	-1.0	-43.11	336.54	0.32	-42.79
N#CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025567585	0	29	-1.0	-41.04	299.19	0.24	-40.80
N#CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025567586	0	29	-1.0	-45.71	299.21	0.24	-45.47
O=C1N=C(CCNS(=O)(=O)C2=CC=C3COC(=O)C3=C2)[N-]O1	REAL300025567587	0	32	-1.0	-54.96	301.34	-0.20	-55.16
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CN=C12	REAL300025567588	0	37	-1.0	-47.50	328.23	-0.74	-48.24
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025567589	0	31	-1.0	-43.80	298.44	0.55	-43.25
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(Cl)=C2F)[N-]O1	REAL300025567590	0	28	-1.0	-47.67	277.41	-0.31	-47.98
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC(C)C	REAL300025567591	0	41	-1.0	-42.28	352.34	1.02	-41.26
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567592	0	34	-1.0	-41.00	311.74	-0.06	-41.06
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025567593	0	38	-1.0	-45.30	332.31	1.13	-44.17
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025567594	0	31	-1.0	-44.69	289.69	0.14	-44.55
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)[N-]O1	REAL300025567595	0	28	-1.0	-39.68	301.84	1.18	-38.50
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)[N-]O1	REAL300025567595	1	27	-2.0	-95.90	301.08	0.86	-95.04
CC1=CC(Cl)=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567596	0	31	-1.0	-41.58	294.42	0.84	-40.74
CC1=CC=C(F)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567597	0	31	-1.0	-45.68	282.66	-0.14	-45.82
CC1=CC=C(F)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567598	0	31	-1.0	-44.28	284.10	0.41	-43.87
O=C1N=C(CCNS(=O)(=O)C2=CC=C(F)C=C2Br)[N-]O1	REAL300025567599	0	28	-1.0	-39.74	285.84	0.24	-39.50
O=C1N=C(CCNS(=O)(=O)C2=CC=C(CCCl)C=C2)[N-]O1	REAL300025567600	0	34	-1.0	-42.63	323.02	1.50	-41.13
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567601	0	33	-1.0	-44.86	295.41	1.79	-43.07
O=C1N=C(CCNS(=O)(=O)C2=C(F)C=C3NC(=O)CCC3=C2)[N-]O1	REAL300025567602	0	36	-1.0	-48.27	321.08	-1.63	-49.90
CN(C)C(=O)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567603	0	38	-1.0	-47.85	335.12	-0.72	-48.57
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OC3CCCC3)C=C2)[N-]O1	REAL300025567604	0	42	-1.0	-41.92	357.63	1.65	-40.27
CC1=CC2=CC=CN=C2C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567605	0	36	-1.0	-46.98	316.55	1.21	-45.77
CC(C)CCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567606	0	44	-1.0	-41.89	374.88	1.76	-40.13
COC(=O)COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567607	0	38	-1.0	-46.10	348.82	0.35	-45.75
N#CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C(F)(F)F)=C1	REAL300025567608	0	32	-1.0	-41.33	308.59	1.40	-39.93
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OCC3CCCCC3)C=C2)[N-]O1	REAL300025567609	0	48	-1.0	-41.93	397.55	3.05	-38.88
CC1=CC=C(Cl)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025567610	0	31	-1.0	-43.22	303.72	1.26	-41.96
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567611	0	37	-1.0	-49.10	338.38	-2.15	-51.25
O=C1N=C(CCNS(=O)(=O)C2=CC=CC3=CN=CC=C32)[N-]O1	REAL300025567612	0	33	-1.0	-45.36	299.29	-0.01	-45.37
O=C1N=C(CCNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Cl)[N-]O1	REAL300025567613	0	30	-1.0	-42.86	292.89	0.16	-42.70
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CN=C2C=C1	REAL300025567614	0	36	-1.0	-44.44	310.26	0.69	-43.75
COC(=O)CCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567615	0	41	-1.0	-46.82	369.77	0.50	-46.32
O=C1N=C(CCNS(=O)(=O)C2=C(Br)C=CS2)[N-]O1	REAL300025567616	0	25	-1.0	-41.97	271.13	-1.15	-43.12
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Br)C=CS2)[N-]O1	REAL300025567616	1	24	-2.0	-100.80	273.04	-1.38	-102.18
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025567617	0	47	-1.0	-42.98	381.57	-0.74	-43.72
CC(=O)NCCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567618	0	41	-1.0	-49.87	366.65	-0.77	-50.64
O=C1N=C(CCNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2F)[N-]O1	REAL300025567619	0	30	-1.0	-44.84	289.49	-0.14	-44.98
O=C1N=C(CCNS(=O)(=O)C2=CC(Br)=CN=C2Cl)[N-]O1	REAL300025567620	0	27	-1.0	-42.18	281.18	-1.78	-43.96
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)[N-]O1	REAL300025567620	1	26	-2.0	-94.53	290.35	-1.64	-96.17
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567621	0	42	-1.0	-46.05	365.68	-1.72	-47.77
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C3=CC=CC=C3)C=C2)[N-]O1	REAL300025567622	0	38	-1.0	-43.99	337.16	2.84	-41.15
O=C1N=C(CCNS(=O)(=O)C2=CC=C([N+](=O)[O-])C(Br)=C2)[N-]O1	REAL300025567623	0	30	-1.0	-43.96	307.39	0.55	-43.41
C=CCNC(=O)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567624	0	39	-1.0	-46.89	353.74	-0.90	-47.79
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025567625	0	35	-1.0	-43.37	307.16	-0.37	-43.74
COC1=CC(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025567626	0	38	-1.0	-44.42	328.09	0.25	-44.17
O=C(NC1CC1)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567627	0	39	-1.0	-55.60	351.04	-0.59	-56.19
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])[N-]O1	REAL300025567628	0	30	-1.0	-45.62	296.21	0.80	-44.82
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])[N-]O1	REAL300025567628	1	29	-2.0	-110.03	294.15	0.45	-109.58
O=C(NCC(F)(F)F)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567629	0	38	-1.0	-45.48	360.23	-0.99	-46.47
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567630	0	37	-1.0	-48.92	343.17	-2.05	-50.97
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)[N-]O1	REAL300025567631	0	31	-1.0	-51.02	302.48	0.34	-50.68
CCOC(=O)N1CCN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025567632	0	41	-1.0	-43.30	348.59	-1.83	-45.13
CC1(C)C2CCC1(CS(=O)(=O)NCCC1=NC(=O)O[N-]1)C(=O)C2	REAL300025567633	0	43	-1.0	-46.75	342.27	1.79	-44.96
O=C1N=C(CCNS(=O)(=O)C2CC[N@H+](CC3=CC=CC=C3)C2)[N-]O1	REAL300025567634	0	44	0.0	-63.25	358.63	2.08	-61.17
O=C1N=C(CCNS(=O)(=O)C2CC[N@@H+](CC3=CC=CC=C3)C2)[N-]O1	REAL300025567634	1	44	0.0	-64.72	367.77	2.46	-62.26
O=C1N=C(CCNS(=O)(=O)C2CCN(CC3=CC=CC=C3)C2)[N-]O1	REAL300025567634	1	43	-1.0	-42.94	357.55	-0.42	-43.36
CN1C2=C(C=CC=C2)C2=C1C=CC(S(=O)(=O)NCCC1=NC(=O)O[N-]1)=C2	REAL300025567635	0	41	-1.0	-45.86	362.75	3.27	-42.59
O=C1N=C(CCNS(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])[N-]O1	REAL300025567636	0	30	-1.0	-42.81	301.66	1.54	-41.27
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])[N-]O1	REAL300025567636	1	29	-2.0	-107.18	300.57	1.27	-105.91
COC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025567637	0	31	-1.0	-43.17	310.85	-0.81	-43.98
CS(=O)(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025567638	0	34	-1.0	-49.90	328.06	-3.03	-52.93
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025567639	0	36	-1.0	-44.71	318.88	2.13	-42.58
O=C1N=C(CCNS(=O)(=O)C2=CC=CC3=C2COC3=O)[N-]O1	REAL300025567640	0	32	-1.0	-45.12	300.80	-0.21	-45.33
O=C1N=C(CC[N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)[N-]O1	REAL300025567641	0	27	-2.0	-100.31	275.66	-0.60	-100.91
O=C1N=C(CCNS(=O)(=O)C2=C(F)C=C(F)C=C2F)[N-]O1	REAL300025567641	1	28	-1.0	-41.62	277.90	-0.23	-41.85
CC(=O)NCCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025567642	0	38	-1.0	-50.27	359.08	-1.63	-51.90
CC(C)CCN(CCC(C)C)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567643	0	50	-1.0	-41.56	397.60	2.27	-39.29
CC(=O)NC(C)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025567644	0	38	-1.0	-43.81	356.47	-1.58	-45.39
O=C1N=C(CCNS(=O)(=O)C2=CN=C3NC=CC=C23)[N-]O1	REAL300025567645	0	31	-1.0	-59.26	291.17	-1.37	-60.63
COC(=O)C1=CC=C(F)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567646	0	34	-1.0	-45.32	315.98	-0.17	-45.49
CCOC1=CC=C(C)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567647	0	38	-1.0	-40.90	319.57	2.19	-38.71
O=C1N=C(CCNS(=O)(=O)C2=CC=C(F)C(C(F)(F)F)=C2)[N-]O1	REAL300025567648	0	31	-1.0	-39.81	307.32	0.48	-39.33
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567649	0	44	-1.0	-45.15	374.19	1.15	-44.00
CCCCCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567650	0	44	-1.0	-41.94	378.81	2.02	-39.92
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])[N-]O1	REAL300025567651	0	30	-1.0	-50.86	292.73	1.33	-49.53
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])[N-]O1	REAL300025567651	1	29	-2.0	-113.51	294.41	1.28	-112.23
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(N3C=NN=N3)=C2)[N-]O1	REAL300025567652	0	33	-1.0	-48.90	311.25	-0.39	-49.29
CCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025567653	0	41	-1.0	-45.01	354.16	2.06	-42.95
O=C1N=C(CCNS(=O)(=O)C2=CC=C(SC(F)(F)F)C=C2)[N-]O1	REAL300025567654	0	32	-1.0	-42.44	319.35	0.89	-41.55
O=C1N=C(CCNS(=O)(=O)C2=CN=CC(Br)=C2)[N-]O1	REAL300025567655	0	27	-1.0	-41.37	279.29	-1.77	-43.14
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567656	0	36	-1.0	-51.31	336.54	-3.86	-55.17
CCOCCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567657	0	42	-1.0	-43.76	369.80	-0.11	-43.87
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025567658	0	36	-1.0	-48.65	334.81	-4.10	-52.75
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025567658	1	35	-2.0	-89.62	331.54	-4.02	-93.64
O=C1N=C(CC[N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])[N-]O1	REAL300025567659	0	29	-2.0	-117.35	286.73	0.79	-116.56
O=C1N=C(CCNS(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])[N-]O1	REAL300025567659	1	30	-1.0	-51.76	284.81	0.79	-50.97
O=C1N=C(CCNS(=O)(=O)C2=CN(C3=CC=CC=C3)N=C2)[N-]O1	REAL300025567660	0	35	-1.0	-47.66	323.54	0.55	-47.11
O=C1N=C(CCNS(=O)(=O)C2=CN(CC3=CC=CC=C3)N=C2)[N-]O1	REAL300025567661	0	38	-1.0	-43.55	348.95	0.99	-42.56
O=C1N=C(CCNS(=O)(=O)CC2=CC=CC(F)=C2)[N-]O1	REAL300025567662	0	31	-1.0	-45.53	293.14	0.22	-45.31
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2)[N-]O1	REAL300025567663	0	42	-1.0	-43.48	374.23	2.71	-40.77
COC1=CC=C(Cl)C=C1CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567664	0	35	-1.0	-44.78	331.64	0.04	-44.74
O=C1N=C(CCNS(=O)(=O)CC2=CC=C(OC(F)(F)F)C=C2)[N-]O1	REAL300025567665	0	35	-1.0	-42.97	332.73	-0.05	-43.02
O=C1N=C(CCNS(=O)(=O)C2CCS(=O)(=O)CC2)[N-]O1	REAL300025567666	0	34	-1.0	-49.60	306.86	-4.09	-53.69
O=C1N=C(CCNS(=O)(=O)C2=CC(Br)=CC=C2F)[N-]O1	REAL300025567667	0	28	-1.0	-42.51	282.54	-0.19	-42.70
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025567668	0	34	-1.0	-45.01	317.41	0.95	-44.06
COC(=O)C1=CSC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567669	0	31	-1.0	-42.85	311.02	-0.90	-43.75
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567670	0	36	-1.0	-47.24	322.61	1.88	-45.36
CN1C(=O)N(C)C2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025567671	0	38	-1.0	-48.28	343.22	0.34	-47.94
O=C1N=C(CCNS(=O)(=O)C2=CC3=CC=C(OC(F)F)C=C3CC2)[N-]O1	REAL300025567672	0	40	-1.0	-46.02	356.69	1.41	-44.61
O=C1N=C(CCNS(=O)(=O)C2=CC=CC3=NC=CC=C23)[N-]O1	REAL300025567673	0	33	-1.0	-45.36	299.09	-0.11	-45.47
O=C1N=C(CCNS(=O)(=O)C2=CSC(C3=CC=C(F)C=C3)=N2)[N-]O1	REAL300025567674	0	34	-1.0	-47.32	335.81	0.17	-47.15
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)N=C2Cl)[N-]O1	REAL300025567675	0	27	-1.0	-45.26	276.72	-1.95	-47.21
CC1=NOC2=NC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C12	REAL300025567676	0	32	-1.0	-43.63	302.71	-3.59	-47.22
COC1=CC(F)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025567677	0	32	-1.0	-43.40	300.97	-0.99	-44.39
COC1=CC(F)=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025567677	1	31	-2.0	-106.02	298.73	-1.37	-107.39
O=C1N=C(CCNS(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)[N-]O1	REAL300025567678	0	34	-1.0	-45.73	325.80	1.18	-44.55
O=C1N=C(CCNS(=O)(=O)C2=CC=C(CCCCl)C=C2)[N-]O1	REAL300025567679	0	37	-1.0	-43.75	344.52	2.28	-41.47
O=C1N=C(CCNS(=O)(=O)CC2=CC=C(Br)C=C2F)[N-]O1	REAL300025567680	0	31	-1.0	-45.47	313.35	0.81	-44.66
O=C1N=C(CCNS(=O)(=O)CC2=CC=CC=C2Cl)[N-]O1	REAL300025567681	0	31	-1.0	-43.25	300.32	0.60	-42.65
O=C1N=C(CCNS(=O)(=O)C2=CC=C(N3CCCS3(=O)=O)C=C2)[N-]O1	REAL300025567682	0	40	-1.0	-59.46	359.56	-2.07	-61.53
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(F)=C2F)[N-]O1	REAL300025567683	0	28	-1.0	-49.22	267.52	-0.75	-49.97
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=CC(F)=C2F)[N-]O1	REAL300025567683	1	27	-2.0	-104.90	272.53	-0.83	-105.73
O=C1N=C(CCNS(=O)(=O)CC2=CC=CC=C2F)[N-]O1	REAL300025567684	0	31	-1.0	-44.34	292.04	0.19	-44.15
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567685	0	34	-1.0	-44.34	323.74	1.44	-42.90
O=C1N=C(CCNS(=O)(=O)CC2=CC=C(Cl)N=C2)[N-]O1	REAL300025567686	0	30	-1.0	-44.25	298.44	-1.21	-45.46
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])[N-]O1	REAL300025567687	0	30	-1.0	-42.93	297.10	1.43	-41.50
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])[N-]O1	REAL300025567687	1	29	-2.0	-107.44	296.01	1.17	-106.27
O=C1N=C(CCNS(=O)(=O)CC2=CC=CC=C2F)[N-]O1	REAL300025567688	0	31	-1.0	-44.34	292.04	0.19	-44.15
O=C1N=C(CCNS(=O)(=O)CC2=CC=CC=C2C(F)(F)F)[N-]O1	REAL300025567689	0	34	-1.0	-43.56	311.36	1.26	-42.30
CCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1	REAL300025567690	0	38	-1.0	-43.18	329.03	0.56	-42.62
CC1=NN(C)C2=NC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C12	REAL300025567691	0	36	-1.0	-44.00	329.28	-0.84	-44.84
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(C(=O)OC)S1	REAL300025567692	0	37	-1.0	-46.40	358.19	0.66	-45.74
O=C1N=C(CCNS(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)[N-]O1	REAL300025567693	0	31	-1.0	-44.18	318.65	1.12	-43.06
COC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=CC=C(Cl)N=C2C=C1	REAL300025567694	0	37	-1.0	-44.46	342.02	0.67	-43.79
O=C1N=C(CCNS(=O)(=O)C2=CC=CC=C2OC(F)F)[N-]O1	REAL300025567695	0	32	-1.0	-41.35	293.26	-0.46	-41.81
O=C1N=C(CCNS(=O)(=O)C2=CC=CC3=C2OCCO3)[N-]O1	REAL300025567696	0	34	-1.0	-42.25	297.42	-1.01	-43.26
CCOC(=O)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567697	0	37	-1.0	-43.69	339.63	1.01	-42.68
CCCOC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567698	0	40	-1.0	-42.59	361.10	1.81	-40.78
O=C1N=C(CCNS(=O)(=O)C2=CC(Br)=CC=C2Cl)[N-]O1	REAL300025567699	0	28	-1.0	-40.75	285.94	0.11	-40.64
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CN=C21	REAL300025567700	0	36	-1.0	-42.80	332.65	-3.15	-45.95
O=C1N=C(CCNS(=O)(=O)CC2=CC=C(F)C=C2Br)[N-]O1	REAL300025567701	0	31	-1.0	-43.81	309.84	0.79	-43.02
COCC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567702	0	35	-1.0	-43.43	318.05	-0.85	-44.28
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567703	0	34	-1.0	-44.67	313.41	1.00	-43.67
O=C1N=C(CCNS(=O)(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)[N-]O1	REAL300025567704	0	36	-1.0	-44.65	324.82	0.07	-44.58
O=C1N=C(CCNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2F)[N-]O1	REAL300025567705	0	31	-1.0	-42.35	299.99	0.19	-42.16
O=C1N=C(CCNS(=O)(=O)C2=CC(Br)=C(F)C=C2F)[N-]O1	REAL300025567706	0	28	-1.0	-40.51	288.23	-0.14	-40.65
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)[N-]O1	REAL300025567706	1	27	-2.0	-94.80	293.21	-0.22	-95.02
O=C1N=C(CCNS(=O)(=O)C2=CC=C(F)C=C2C(F)(F)F)[N-]O1	REAL300025567707	0	31	-1.0	-39.72	294.28	1.07	-38.65
O=C1N=C(CCNS(=O)(=O)CC2=CC(C3=CC=CC=C3)=NO2)[N-]O1	REAL300025567708	0	37	-1.0	-46.67	341.70	1.29	-45.38
O=C1N=C(CCNS(=O)(=O)CC2=CC=C(Cl)N=C2)[N-]O1	REAL300025567709	0	30	-1.0	-44.25	298.44	-1.21	-45.46
CCOC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025567710	0	37	-1.0	-46.29	344.19	1.04	-45.25
O=C1N=C(CCNS(=O)(=O)C2=CC(F)=CC=C2Cl)[N-]O1	REAL300025567711	0	28	-1.0	-41.01	271.04	-0.44	-41.45
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)N=C3SC=CN32)[N-]O1	REAL300025567712	0	28	-1.0	-49.13	295.07	-0.48	-49.61
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])[N-]O1	REAL300025567713	0	30	-1.0	-41.65	301.67	1.54	-40.11
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])[N-]O1	REAL300025567713	1	29	-2.0	-104.20	300.54	1.28	-102.92
O=C1N=C(CCNS(=O)(=O)C2=CC=C3COCC3=C2)[N-]O1	REAL300025567714	0	33	-1.0	-42.61	298.95	-1.27	-43.88
COC(=O)C1=CC=CC(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567715	0	37	-1.0	-50.96	341.55	0.81	-50.15
CC1=NC(C2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2)=CO1	REAL300025567716	0	37	-1.0	-45.70	339.38	-1.50	-47.20
O=C1N=C(CCNS(=O)(=O)CCOCC(F)(F)F)[N-]O1	REAL300025567717	0	31	-1.0	-44.72	301.92	-2.37	-47.09
CCOC(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567718	0	36	-1.0	-47.51	325.65	-0.35	-47.86
CC1CC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C2O1	REAL300025567719	0	36	-1.0	-43.74	320.04	0.05	-43.69
O=C1N=C(CCNS(=O)(=O)CC2=C(Cl)C=CC=C2Cl)[N-]O1	REAL300025567720	0	31	-1.0	-44.25	313.64	1.05	-43.20
COC(=O)C1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=CC=CC=C2S1	REAL300025567721	0	37	-1.0	-50.01	349.10	2.14	-47.87
O=C(OCC1=CC=CC=C1)N1CC[C@@H](S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567722	0	46	-1.0	-47.22	403.12	1.57	-45.65
O=C(OCC1=CC=CC=C1)N1CC[C@H](S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567723	0	46	-1.0	-55.36	394.89	1.14	-54.22
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025567724	0	31	-1.0	-46.06	282.68	-0.14	-46.20
CC(=O)NC1=CC(F)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025567725	0	35	-1.0	-50.71	331.40	-1.29	-52.00
CCCCN(C)C(=O)C1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567726	0	47	-1.0	-48.66	393.88	2.51	-46.15
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OC3=CC=CC=C3Cl)C=C2)[N-]O1	REAL300025567727	0	39	-1.0	-45.19	368.48	2.82	-42.37
COC1=CC(Cl)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025567728	0	32	-1.0	-40.82	310.13	-0.65	-41.47
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025567729	0	31	-1.0	-41.24	289.71	0.13	-41.11
CC1=CC=C(N2C=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=N2)C=C1	REAL300025567730	0	38	-1.0	-44.26	344.93	1.23	-43.03
O=C(OCC1=CC=CC=C1)N1CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C1	REAL300025567731	0	43	-1.0	-46.72	384.64	0.65	-46.07
COC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025567732	0	31	-1.0	-46.26	302.50	-1.78	-48.04
COC(=O)C1=CC=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)O1	REAL300025567732	1	30	-2.0	-96.38	300.28	-2.17	-98.55
O=C1N=C(CCNS(=O)(=O)C2=CC=CC3=CC=CN=C32)[N-]O1	REAL300025567733	0	33	-1.0	-47.63	295.20	0.56	-47.07
O=C1N=C(CCNS(=O)(=O)C2=CSC(C3=CC=CC=C3)=N2)[N-]O1	REAL300025567734	0	34	-1.0	-43.80	329.39	0.10	-43.70
O=C1N=C(CCNS(=O)(=O)C2=CSC(C3=CC=C(Cl)C=C3)=N2)[N-]O1	REAL300025567735	0	34	-1.0	-47.06	346.13	0.62	-46.44
O=C1N=C(CCNS(=O)(=O)C2CC3=CC=CC=C3C2)[N-]O1	REAL300025567736	0	35	-1.0	-43.21	308.71	1.33	-41.88
O=C1N=C(CCNS(=O)(=O)C2=CC(F)=C(F)C=C2F)[N-]O1	REAL300025567737	0	28	-1.0	-40.82	273.93	-0.69	-41.51
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)[N-]O1	REAL300025567737	1	27	-2.0	-94.21	278.91	-0.77	-94.98
CC1=CC(S(C)(=O)=O)=C(C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567738	0	40	-1.0	-48.71	350.37	-1.66	-50.37
COC(=O)C1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567739	0	37	-1.0	-44.91	345.71	1.94	-42.97
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)[N-]O1	REAL300025567740	0	39	-1.0	-43.46	368.40	2.79	-40.67
COC(=O)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025567741	0	37	-1.0	-43.96	327.48	0.76	-43.20
COC1=CC=C(Cl)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567742	0	32	-1.0	-43.54	294.12	-1.21	-44.75
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CN=C1Cl	REAL300025567743	0	30	-1.0	-40.66	293.63	-1.35	-42.01
COC(=O)C1=C(C)NN=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567744	0	34	-1.0	-46.29	320.98	-2.99	-49.28
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1C	REAL300025567745	0	38	-1.0	-43.79	322.91	0.24	-43.55
O=C1N=C(CCNS(=O)(=O)C2=CC(Br)=CC([N+](=O)[O-])=C2)[N-]O1	REAL300025567746	0	30	-1.0	-39.94	312.49	0.73	-39.21
COC(=O)CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567747	0	37	-1.0	-47.18	339.93	0.88	-46.30
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)N(C)C	REAL300025567748	0	42	-1.0	-47.18	365.27	-1.05	-48.23
CC(=O)N1CCC2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025567749	0	39	-1.0	-52.25	343.49	0.55	-51.70
O=C1N=C(CCNS(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])[N-]O1	REAL300025567750	0	29	-1.0	-46.69	277.77	0.11	-46.58
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])[N-]O1	REAL300025567750	1	28	-2.0	-110.10	276.53	-0.18	-110.28
O=C1N=C(CCNS(=O)(=O)C2=CC([N+](=O)[O-])=CC=C2Br)[N-]O1	REAL300025567751	0	30	-1.0	-44.38	307.67	0.84	-43.54
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567752	0	40	-1.0	-41.87	342.15	0.04	-41.83
O=C1N=C(CCNS(=O)(=O)CC2=CC=CC3=CC=CN=C32)[N-]O1	REAL300025567753	0	36	-1.0	-51.06	326.62	0.70	-50.36
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567754	0	34	-1.0	-45.97	334.49	0.59	-45.38
CCN1N=C(C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025567755	0	37	-1.0	-41.79	322.41	-0.63	-42.42
COC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025567756	0	37	-1.0	-42.68	333.79	0.62	-42.06
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(F)=C1Cl	REAL300025567757	0	34	-2.0	-107.99	338.82	-1.15	-109.14
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025567758	0	33	-1.0	-42.83	307.19	0.61	-42.22
COC(=O)CCN(C)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567759	0	35	-1.0	-43.26	316.92	-1.69	-44.95
CC(C)CN1C=NC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567760	0	37	-1.0	-50.10	327.53	0.70	-49.40
COC(=O)C1=C(F)C=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025567761	0	34	-1.0	-50.29	323.43	-0.09	-50.38
CS(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567762	0	33	-1.0	-54.23	311.96	-4.52	-58.75
O=C1N=C(CCNS(=O)(=O)C2=CC=C3CCNC(=O)C3=C2)[N-]O1	REAL300025567763	0	36	-1.0	-57.48	322.55	-2.12	-59.60
CS(=O)(=O)CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567764	0	37	-1.0	-54.14	348.00	-2.36	-56.50
CCOC(=O)N1CCC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025567765	0	42	-1.0	-45.98	358.16	-0.59	-46.57
COC1=C(F)C=C(Br)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567766	0	32	-1.0	-40.39	318.62	0.09	-40.30
N#CC1=C(Cl)C=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567767	0	29	-1.0	-52.66	283.69	-0.35	-53.01
CC1=CC=C(C#N)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567768	0	32	-1.0	-46.19	298.46	0.72	-45.47
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)[N-]O1	REAL300025567769	0	32	-2.0	-101.46	321.13	-1.51	-102.97
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)[N-]O1	REAL300025567769	1	32	-2.0	-101.43	321.19	-1.52	-102.95
CC(=O)NC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025567770	0	35	-1.0	-49.94	325.01	-1.57	-51.51
O=C1N=C(CCNS(=O)(=O)C2=CC=C(OCC(F)F)C3=CC=CC=C32)[N-]O1	REAL300025567771	0	41	-1.0	-48.31	367.17	2.37	-45.94
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Br)C=N2)[N-]O1	REAL300025567772	0	27	-1.0	-44.99	280.15	-1.87	-46.86
CC(C)(C)C1=CC=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567773	0	40	-1.0	-42.33	315.80	1.99	-40.34
O=C1N=C(CCNS(=O)(=O)C2CCC3=CC=CC=C3C2)[N-]O1	REAL300025567774	0	38	-1.0	-43.16	326.25	1.95	-41.21
CC1=NC2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2O1	REAL300025567775	0	33	-1.0	-45.50	306.62	-2.91	-48.41
CC1CC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC(Cl)=C2O1	REAL300025567776	0	36	-1.0	-45.32	336.75	0.55	-44.77
CC(=O)NC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C	REAL300025567777	0	38	-1.0	-56.31	336.87	-0.83	-57.14
CC(=O)N1CCCC2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025567778	0	42	-1.0	-52.07	355.95	1.07	-51.00
COC1=CC(F)=CC(F)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567779	0	32	-1.0	-44.78	300.63	-0.11	-44.89
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025567779	1	31	-2.0	-104.97	298.39	-0.47	-105.44
O=C1N=C(CCNS(=O)(=O)C2=CN=C(Cl)C(Cl)=C2)[N-]O1	REAL300025567780	0	27	-1.0	-40.53	290.07	-1.49	-42.02
CC1=CC(C#N)=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567781	0	32	-1.0	-42.91	298.45	0.72	-42.19
O=C1N=C(CCNS(=O)(=O)C2=CC=C(N3CCOC3=O)C=C2)[N-]O1	REAL300025567782	0	37	-1.0	-55.50	331.67	-0.50	-56.00
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC	REAL300025567783	0	38	-1.0	-45.02	345.05	0.13	-44.89
N#CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025567784	0	29	-1.0	-45.34	282.03	-0.42	-45.76
O=C1N=C(CCNS(=O)(=O)C2=CC=CC(I)=C2)[N-]O1	REAL300025567785	0	28	-1.0	-40.33	290.75	0.53	-39.80
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)[N-]O1	REAL300025567786	0	31	-1.0	-43.43	300.69	1.57	-41.86
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)[N-]O1	REAL300025567786	1	30	-2.0	-106.14	299.14	1.20	-104.94
N#CC1=C(F)C=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567787	0	29	-1.0	-54.24	274.20	-0.72	-54.96
CN(C1CCOCC1)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567788	0	37	-1.0	-41.24	310.83	-2.51	-43.75
CC(C)N1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025567789	0	34	-1.0	-46.30	307.73	-1.48	-47.78
O=C1N=C(CCNS(=O)(=O)C2=CC3=CC=CN=C3C=C2)[N-]O1	REAL300025567790	0	33	-1.0	-47.37	303.96	-0.18	-47.55
COC(=O)CN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025567791	0	34	-1.0	-49.05	322.33	-1.81	-50.86
CC(C)C1=NC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CN1	REAL300025567792	0	34	-1.0	-50.94	306.78	-2.13	-53.07
O=C1N=C(CCNS(=O)(=O)CC2=CC=C(Br)C=C2)[N-]O1	REAL300025567793	0	31	-1.0	-43.07	308.03	0.78	-42.29
O=C1N=C(CCNS(=O)(=O)C2=CC3=CC=C(Cl)N=C3C=C2F)[N-]O1	REAL300025567794	0	33	-1.0	-50.04	318.94	0.01	-50.03
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=N1	REAL300025567795	0	37	-1.0	-49.06	336.37	0.69	-48.37
COC1=CC=C(OC2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025567796	0	43	-1.0	-43.76	381.19	1.57	-42.19
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567797	0	32	-1.0	-48.23	307.04	0.24	-47.99
CCC1=CC=CC(CC)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567798	0	40	-1.0	-41.45	320.29	2.63	-38.82
O=C1N=C(CCNS(=O)(=O)C2=CC(F)=C(F)C(F)=C2)[N-]O1	REAL300025567799	0	28	-1.0	-40.81	281.95	-0.39	-41.20
COC(=O)C1=CC=CC=C1CS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567800	0	37	-1.0	-46.76	331.54	1.24	-45.52
CC(C)C(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567801	0	39	-1.0	-42.42	345.42	1.26	-41.16
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CN1C	REAL300025567802	0	35	-1.0	-44.70	324.15	-0.48	-45.18
CCC(C)(C)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567803	0	43	-1.0	-42.45	353.40	2.22	-40.23
CN1N=NN=C1C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567804	0	36	-1.0	-58.08	329.08	-1.15	-59.23
O=C1N=C(CCNS(=O)(=O)C2=CN(C3=CC=CC=C3F)N=C2)[N-]O1	REAL300025567805	0	35	-1.0	-52.10	327.92	0.71	-51.39
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=NN1C1=CC=C(Cl)C=C1	REAL300025567806	0	38	-1.0	-46.52	358.24	1.51	-45.01
CC1=CC(Br)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025567807	0	28	-1.0	-41.97	293.01	-0.35	-42.32
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Br)C(F)=C2)[N-]O1	REAL300025567808	0	28	-1.0	-39.73	289.98	0.10	-39.63
CC(=O)N(C)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567809	0	38	-1.0	-52.95	330.59	-0.32	-53.27
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(C)=C1F	REAL300025567810	0	34	-1.0	-41.36	309.99	0.77	-40.59
O=C1N=C(CCNS(=O)(=O)C2=CC=C(F)C(Br)=C2)[N-]O1	REAL300025567811	0	28	-1.0	-39.73	289.98	0.10	-39.63
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1Cl	REAL300025567812	0	32	-1.0	-46.87	308.62	-0.69	-47.56
CC(C)(C)C1=NC2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2S1	REAL300025567813	0	42	-1.0	-44.23	375.97	1.38	-42.85
COC1=CC=CC=C1N1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025567814	0	39	-1.0	-50.94	350.72	0.19	-50.75
N#CC1=CC(Cl)=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567815	0	29	-1.0	-48.09	285.05	-0.24	-48.33
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])[N-]O1	REAL300025567816	0	29	-2.0	-102.77	311.14	1.79	-100.98
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])[N-]O1	REAL300025567816	1	30	-1.0	-40.63	312.83	2.15	-38.48
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CN1	REAL300025567817	0	32	-1.0	-44.28	306.39	-2.23	-46.51
CC1=C(F)C=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567818	0	31	-1.0	-41.87	283.71	0.25	-41.62
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C	REAL300025567819	0	37	-1.0	-45.25	333.79	0.61	-44.64
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025567820	0	31	-1.0	-43.74	302.47	0.63	-43.11
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025567821	0	31	-1.0	-42.94	310.24	-0.90	-43.84
CC1(C)CC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C2O1	REAL300025567822	0	39	-1.0	-42.59	340.42	0.68	-41.91
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(F)C=C1F	REAL300025567823	0	31	-1.0	-43.44	287.95	-0.11	-43.55
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)C=CC3=CC=CC=C32)[N-]O1	REAL300025567824	0	34	-1.0	-44.08	309.57	2.24	-41.84
CC1=NC(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025567825	0	30	-1.0	-41.94	283.00	-2.21	-44.15
N#CCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567826	0	32	-1.0	-47.74	305.23	0.61	-47.13
COC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025567827	0	32	-1.0	-41.86	312.91	-0.60	-42.46
COC1=CC=C(Br)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567828	0	32	-1.0	-43.72	308.92	-0.52	-44.24
COC(=O)CC1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025567829	0	37	-1.0	-44.66	328.39	-0.04	-44.70
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567830	0	36	-1.0	-40.46	313.89	1.45	-39.01
CS(=O)(=O)N1CCN(S(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025567831	0	38	-1.0	-50.68	333.66	-5.00	-55.68
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1F	REAL300025567832	0	34	-1.0	-43.60	322.30	0.11	-43.49
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(Cl)C=C1Cl	REAL300025567833	0	34	-1.0	-41.22	331.88	0.53	-40.69
COC(=O)C1=CC=C(OC)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567834	0	38	-1.0	-43.40	338.16	-0.08	-43.48
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567835	0	40	-1.0	-49.43	349.33	1.51	-47.92
COC(=O)CC1(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)CC1	REAL300025567836	0	37	-1.0	-44.66	328.39	-0.04	-44.70
CC1=C(Br)SC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567837	0	28	-1.0	-42.12	296.18	-0.25	-42.37
CCS(=O)(=O)NCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567838	0	35	-1.0	-49.24	326.83	-5.81	-55.05
O=C1N=C(CCNS(=O)(=O)C2=CC3=CC(Cl)=CC=C3S2)[N-]O1	REAL300025567839	0	31	-1.0	-42.88	318.63	1.36	-41.52
CC1=CC(F)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567840	0	31	-1.0	-43.91	290.81	0.17	-43.74
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567841	0	34	-1.0	-44.50	316.75	1.34	-43.16
COC1=CC(C)=C(Br)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567842	0	35	-1.0	-40.17	322.95	0.45	-39.72
O=C1N=C(CCNS(=O)(=O)C2=CC=CC3=CC=CC=C32)[N-]O1	REAL300025567843	0	34	-1.0	-45.09	303.98	1.79	-43.30
O=C1N=C(CCNS(=O)(=O)C2=CN=C3C=CSC3=C2)[N-]O1	REAL300025567844	0	30	-1.0	-43.64	294.97	-1.08	-44.72
CN1CCCC2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025567845	0	40	-1.0	-43.93	337.20	-0.02	-43.95
CC1=CC(Cl)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1[N+](=O)[O-]	REAL300025567846	0	33	-1.0	-40.41	308.92	0.68	-39.73
CC(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025567847	0	35	-1.0	-47.90	333.13	-1.05	-48.95
CCOC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025567848	0	34	-1.0	-46.30	324.37	-0.85	-47.15
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)O1	REAL300025567848	1	33	-2.0	-96.50	322.14	-1.24	-97.74
O=C1N=C(CCNS(=O)(=O)C2=CC(F)=CC([N+](=O)[O-])=C2)[N-]O1	REAL300025567849	0	30	-1.0	-40.49	297.60	0.17	-40.32
O=C1N=C(CCNS(=O)(=O)C2=CC=CC3=C2CCCC3)[N-]O1	REAL300025567850	0	38	-1.0	-43.33	318.64	2.11	-41.22
N#CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025567851	0	32	-1.0	-41.39	319.62	0.61	-40.78
COC(=O)C1=C(C)OC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567852	0	34	-1.0	-44.70	320.85	-1.11	-45.81
O=C1N=C(CCNS(=O)(=O)C2=CC=C3NC(=O)C=CC3=C2)[N-]O1	REAL300025567853	0	34	-1.0	-46.53	314.35	-1.52	-48.05
CC1=CC=C(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C	REAL300025567854	0	37	-1.0	-44.45	325.15	1.36	-43.09
O=C1N=C(CCNS(=O)(=O)C2=CSC3=CC=C(Cl)C=C23)[N-]O1	REAL300025567855	0	31	-1.0	-43.82	305.77	0.83	-42.99
COC(=O)C1=CC(OC)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025567856	0	35	-1.0	-45.34	336.55	-1.64	-46.98
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567857	0	33	-1.0	-42.95	319.86	-0.45	-43.40
CC1=C(Br)C=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567858	0	31	-1.0	-41.57	296.43	0.73	-40.84
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C21	REAL300025567859	0	39	-1.0	-44.32	346.30	-1.07	-45.39
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C(Br)S1	REAL300025567860	0	28	-1.0	-42.55	293.38	-0.01	-42.56
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C3=CC=CC=C32)[N-]O1	REAL300025567861	0	34	-1.0	-43.06	318.35	2.20	-40.86
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(F)=C1F	REAL300025567862	0	34	-1.0	-43.45	328.60	0.17	-43.28
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)SC2=CC=CC(F)=C21	REAL300025567863	0	34	-1.0	-44.44	318.60	1.31	-43.13
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1N(C)C	REAL300025567864	0	39	-1.0	-41.86	337.59	0.08	-41.78
COC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)SC=C1	REAL300025567865	0	29	-1.0	-46.84	280.99	-2.42	-49.26
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567866	0	37	-1.0	-48.56	345.14	-2.15	-50.71
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)OC2=CC=C(F)C=C21	REAL300025567867	0	34	-1.0	-45.24	316.74	0.70	-44.54
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(Br)O1	REAL300025567868	0	31	-1.0	-39.97	312.16	-1.56	-41.53
COC(=O)C1=CC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C(Br)O1	REAL300025567868	1	30	-2.0	-93.45	320.07	-1.55	-95.00
O=C1N=C(CCNS(=O)(=O)C2=CC=CC3=NON=C32)[N-]O1	REAL300025567869	0	29	-1.0	-52.24	273.93	-1.86	-54.10
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025567870	0	36	-1.0	-43.94	314.16	2.18	-41.76
CC1=NC(C2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)S2)=CS1	REAL300025567871	0	34	-1.0	-44.55	342.43	-0.02	-44.57
NC1=NC=C(Cl)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567872	0	29	-1.0	-42.58	285.15	-2.68	-45.26
O=C1N=C(CCNS(=O)(=O)CC2=CC=C(F)C(Cl)=C2)[N-]O1	REAL300025567873	0	31	-1.0	-44.68	309.33	0.71	-43.97
O=C(CCS(=O)(=O)NCCC1=NC(=O)O[N-]1)OCC1=CC=CC=C1	REAL300025567874	0	40	-1.0	-46.45	364.05	1.94	-44.51
O=C1N=C(CCNS(=O)(=O)C2=CN=C3NC(=O)NC(=O)C3=C2)[N-]O1	REAL300025567875	0	33	-1.0	-43.05	313.66	-5.10	-48.15
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567876	0	42	-1.0	-42.24	355.78	1.49	-40.75
O=C1N=C(CCNS(=O)(=O)C2=CC3=CC=CC=C3O2)[N-]O1	REAL300025567877	0	31	-1.0	-47.93	292.73	-0.19	-48.12
O=C1N=C(CC[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)[N-]O1	REAL300025567877	1	30	-2.0	-104.55	290.49	-0.55	-105.10
CC1=NC2=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=CC=C2C=C1	REAL300025567878	0	36	-1.0	-46.37	310.99	2.12	-44.25
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C2=CC(Cl)=CC=C2S1	REAL300025567879	0	34	-1.0	-44.96	330.56	2.31	-42.65
COC(=O)C1=NSC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567880	0	30	-1.0	-43.85	295.39	-1.72	-45.57
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567881	0	33	-1.0	-47.54	310.43	1.04	-46.50
O=C1N=C(CCNS(=O)(=O)CCC2=CC=CC=C2[N+](=O)[O-])[N-]O1	REAL300025567882	0	36	-1.0	-53.71	327.76	1.33	-52.38
O=C1N=C(CCNS(=O)(=O)CCC2=CC=C([N+](=O)[O-])C=C2)[N-]O1	REAL300025567883	0	36	-1.0	-47.14	336.45	1.62	-45.52
N#CC1=CC(Br)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567884	0	29	-1.0	-41.42	305.10	0.44	-40.98
CCOC(=O)C1=C(C)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(C)N1	REAL300025567885	0	41	-1.0	-41.91	358.95	0.11	-41.80
CC1=CC(F)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025567886	0	31	-1.0	-42.51	287.95	-0.10	-42.61
CN(C)C1=CC=C(Br)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567887	0	36	-1.0	-42.75	330.52	0.57	-42.18
CC1=NN2C=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=NC2=C1Cl	REAL300025567888	0	33	-1.0	-45.29	322.49	-0.70	-45.99
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025567889	0	34	-1.0	-42.45	330.29	0.47	-41.98
O=C1N=C(CCNS(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2)[N-]O1	REAL300025567890	0	31	-1.0	-42.57	320.20	1.17	-41.40
COC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025567891	0	34	-1.0	-44.20	318.52	0.18	-44.02
COC1=CC(OC)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567892	0	36	-1.0	-45.59	321.96	-1.96	-47.55
CC1=C(Br)SC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=N1	REAL300025567893	0	26	-2.0	-97.10	289.08	-2.72	-99.82
CC1=C(Br)SC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025567893	1	27	-1.0	-40.21	291.32	-2.34	-42.55
O=C1N=C(CCNS(=O)(=O)C2=CC=C3CCS(=O)(=O)C3=C2)[N-]O1	REAL300025567894	0	35	-1.0	-52.52	327.58	-2.71	-55.23
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567895	0	34	-1.0	-44.91	321.56	0.60	-44.31
CC1=CN(C2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2F)N=C1	REAL300025567896	0	38	-1.0	-44.94	346.57	1.29	-43.65
O=C1N=C(CCNS(=O)(=O)CCNS(=O)(=O)C2=CC=CC=C2)[N-]O1	REAL300025567897	0	39	-1.0	-48.74	362.98	-3.49	-52.23
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025567898	0	28	-2.0	-99.72	290.03	-0.27	-99.99
N#CC1=CC(F)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025567898	1	29	-1.0	-42.99	292.27	0.10	-42.89
O=C1N=C(CCNS(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])[N-]O1	REAL300025567899	0	33	-1.0	-47.65	304.81	1.23	-46.42
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Br)C([N+](=O)[O-])=C2)[N-]O1	REAL300025567900	0	30	-1.0	-48.37	307.37	0.56	-47.81
O=C1N=C(CCNS(=O)(=O)C2=CC=CC3=CC=C(Cl)C=C32)[N-]O1	REAL300025567901	0	34	-1.0	-44.57	320.67	2.29	-42.28
CS(=O)(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025567902	0	34	-1.0	-46.88	328.08	-3.02	-49.90
O=C1N=C(CCNS(=O)(=O)C2=CC3=CC(F)=CC=C3S2)[N-]O1	REAL300025567903	0	31	-1.0	-42.91	308.32	0.92	-41.99
N#CC1=CC(F)=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567904	0	29	-1.0	-48.27	274.72	-0.69	-48.96
CN1C=NC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025567905	0	34	-1.0	-47.69	311.25	0.77	-46.92
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567906	0	33	-1.0	-47.06	307.34	-0.02	-47.08
CC(C)N1N=CC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C21	REAL300025567907	0	40	-1.0	-44.54	353.70	0.96	-43.58
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567908	0	33	-1.0	-46.92	318.38	1.38	-45.54
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567909	0	31	-1.0	-62.24	292.75	-0.32	-62.56
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567910	0	34	-1.0	-42.43	323.92	1.43	-41.00
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)C=CN=C2Cl)[N-]O1	REAL300025567911	0	27	-1.0	-44.55	280.63	-1.18	-45.73
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)[N-]O1	REAL300025567911	1	26	-2.0	-99.76	279.72	-1.51	-101.27
COC(=O)C1=NC=CC2=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=CC=C21	REAL300025567912	0	39	-1.0	-45.15	349.66	0.47	-44.68
O=C(NCCS(=O)(=O)NCCC1=NC(=O)O[N-]1)OCC1=CC=CC=C1	REAL300025567913	0	42	-1.0	-47.90	380.22	-1.13	-49.03
O=C1N=C(CCNS(=O)(=O)CC2=CC=C(Cl)C=C2Br)[N-]O1	REAL300025567914	0	31	-1.0	-43.57	320.19	1.22	-42.35
CC(C)N1C=NC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567915	0	34	-1.0	-50.23	308.42	-0.19	-50.42
O=C1N=C(CCNS(=O)(=O)C2=CC(F)=CC(Cl)=C2)[N-]O1	REAL300025567916	0	28	-1.0	-40.30	286.12	0.02	-40.28
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)NCCC4=NC(=O)O[N-]4)C=CC1=C23	REAL300025567917	0	39	-1.0	-47.24	348.83	1.34	-45.90
CS(=O)(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(Cl)S1	REAL300025567918	0	31	-1.0	-47.46	321.21	-3.88	-51.34
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)[N-]O1	REAL300025567919	0	27	-2.0	-94.91	293.21	-0.22	-95.13
O=C1N=C(CCNS(=O)(=O)C2=CC(F)=C(Br)C=C2F)[N-]O1	REAL300025567919	1	28	-1.0	-40.68	288.27	-0.14	-40.82
CCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1CC	REAL300025567920	0	40	-1.0	-42.43	340.05	1.99	-40.44
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1F	REAL300025567921	0	33	-1.0	-40.98	316.02	0.76	-40.22
COC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025567922	0	33	-1.0	-45.16	313.72	-1.74	-46.90
COC(=O)C1=COC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567923	0	31	-1.0	-45.55	302.86	-1.83	-47.38
COC(=O)C1=COC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1	REAL300025567923	1	30	-2.0	-100.82	300.62	-2.21	-103.03
N#CC1=CC=C(F)C(CS(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567924	0	32	-1.0	-46.72	312.90	0.57	-46.15
CCC1=NN(C)C(CC)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567925	0	40	-1.0	-41.67	336.81	-0.09	-41.76
O=C1N=C(CCNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2Br)[N-]O1	REAL300025567926	0	30	-1.0	-40.19	307.66	0.83	-39.36
O=C1N=C(CCNS(=O)(=O)C2=CC=C([N+](=O)[O-])C=C2C(F)(F)F)[N-]O1	REAL300025567927	0	33	-1.0	-40.10	316.11	1.68	-38.42
CN1N=CN=C1COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025567928	0	41	-1.0	-47.81	369.52	0.96	-46.85
O=C1N=C(CC[N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)[N-]O1	REAL300025567929	0	27	-2.0	-90.55	287.97	-0.47	-91.02
CCC(=O)C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567930	0	36	-1.0	-46.30	326.07	0.70	-45.60
COCCN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025567931	0	35	-1.0	-42.86	322.73	-2.96	-45.82
CCN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=N1	REAL300025567932	0	33	-1.0	-46.32	312.97	0.31	-46.01
CCN1C=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=N1	REAL300025567932	1	32	-2.0	-107.17	311.05	-0.06	-107.23
O=C1N=C(CCNS(=O)(=O)C2=CC(F)=CC=C2Br)[N-]O1	REAL300025567933	0	28	-1.0	-41.66	285.84	0.25	-41.41
CC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1Br	REAL300025567934	0	31	-1.0	-42.31	297.65	0.74	-41.57
CCCCCCN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(=O)NC1=O	REAL300025567935	0	46	-1.0	-55.60	393.97	0.04	-55.56
CCCCCCN1C=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(=O)NC1=O	REAL300025567935	1	45	-2.0	-104.32	396.94	-0.19	-104.51
O=C1N=C(CCNS(=O)(=O)C2=CN(C3CCOCC3)N=C2)[N-]O1	REAL300025567936	0	39	-1.0	-45.71	340.14	-2.03	-47.74
CCN(CC1=CC=CC=C1)S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567937	0	39	-1.0	-42.07	332.09	1.26	-40.81
O=C1N=C(CCNS(=O)(=O)N2CCC3(CCCCC3)CC2)[N-]O1	REAL300025567938	0	46	-1.0	-40.62	350.06	1.11	-39.51
O=C1N=C(CCNS(=O)(=O)C2=C(F)C=CC=C2Br)[N-]O1	REAL300025567939	0	28	-1.0	-45.14	282.61	0.37	-44.77
O=C1N=C(CC[N-]S(=O)(=O)C2=C(F)C=CC=C2Br)[N-]O1	REAL300025567939	1	27	-2.0	-106.74	280.37	-0.01	-106.75
O=C1N=C(CCNS(=O)(=O)CC2=CC(Cl)=CC=C2F)[N-]O1	REAL300025567940	0	31	-1.0	-44.80	308.78	0.70	-44.10
O=C1N=C(CCNS(=O)(=O)C2=CC3=NC=C(Cl)N=C3C=C2)[N-]O1	REAL300025567941	0	32	-1.0	-43.03	315.75	-1.70	-44.73
O=C1N=C(CCNS(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)[N-]O1	REAL300025567942	0	30	-1.0	-42.35	311.26	-0.66	-43.01
CCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025567943	0	35	-1.0	-41.21	334.73	0.33	-40.88
CN1C(Cl)=NC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025567944	0	28	-1.0	-40.21	277.95	-1.62	-41.83
CN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)N=C1Cl	REAL300025567945	0	28	-1.0	-51.08	283.15	-1.75	-52.83
CC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1C#N	REAL300025567946	0	32	-1.0	-51.73	287.50	-0.26	-51.99
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)[N-]O1	REAL300025567947	0	31	-1.0	-41.84	303.40	0.48	-41.36
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Br)C(Cl)=C2)[N-]O1	REAL300025567948	0	28	-1.0	-39.58	299.10	0.51	-39.07
CCC(=O)NCC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC	REAL300025567949	0	45	-1.0	-51.35	393.90	-1.40	-52.75
CCOC(=O)C1CC2=CC(S(=O)(=O)NCCC3=NC(=O)O[N-]3)=CC=C2O1	REAL300025567950	0	42	-1.0	-44.88	376.46	1.66	-43.22
CC(C)(C)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025567951	0	37	-1.0	-43.27	335.96	1.08	-42.19
O=C1N=C(CCNS(=O)(=O)CC2=C(F)C=CC=C2F)[N-]O1	REAL300025567952	0	31	-1.0	-46.63	297.37	0.22	-46.41
CCCN1C=NC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025567953	0	34	-1.0	-50.21	310.30	0.19	-50.02
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025567954	0	36	-1.0	-45.58	341.94	-3.79	-49.37
CCC(=O)C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569507	0	33	-1.0	-49.31	303.98	0.19	-49.12
COCCN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025569508	0	32	-1.0	-43.45	300.65	-3.48	-46.93
CCN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=N1	REAL300025569509	0	30	-1.0	-50.26	291.22	-0.21	-50.47
CCN1C=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C([N+](=O)[O-])=N1	REAL300025569509	1	29	-2.0	-111.16	289.91	-0.87	-112.03
O=C1N=C(CNS(=O)(=O)C2=CC(F)=CC=C2Br)[N-]O1	REAL300025569510	0	25	-1.0	-40.16	263.78	-0.28	-40.44
CC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025569511	0	28	-1.0	-42.81	275.58	0.22	-42.59
CCCCCCN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(=O)NC1=O	REAL300025569512	0	43	-1.0	-47.10	371.79	-0.50	-47.60
CCCCCCN1C=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C(=O)NC1=O	REAL300025569512	1	42	-2.0	-108.01	375.81	-1.01	-109.02
O=C1N=C(CNS(=O)(=O)C2=CN(C3CCOCC3)N=C2)[N-]O1	REAL300025569513	0	36	-1.0	-42.60	318.05	-2.54	-45.14
CC(C)S(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025569514	0	39	-1.0	-43.55	351.97	-3.15	-46.70
CCN(CC1=CC=CC=C1)S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569515	0	36	-1.0	-42.02	309.72	0.72	-41.30
O=C1N=C(CNS(=O)(=O)N2CCC3(CCCCC3)CC2)[N-]O1	REAL300025569516	0	43	-1.0	-40.01	328.04	0.60	-39.41
O=C1N=C(CNS(=O)(=O)C2=C(F)C=CC=C2Br)[N-]O1	REAL300025569517	0	25	-1.0	-43.73	257.54	-0.28	-44.01
O=C1N=C(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Br)[N-]O1	REAL300025569517	1	24	-2.0	-108.30	259.22	-0.82	-109.12
O=C1N=C(CNS(=O)(=O)CC2=CC(Cl)=CC=C2F)[N-]O1	REAL300025569518	0	28	-1.0	-44.29	286.70	0.17	-44.12
O=C1N=C(CNS(=O)(=O)C2=CC3=NC=C(Cl)N=C3C=C2)[N-]O1	REAL300025569519	0	29	-1.0	-41.20	293.67	-2.21	-43.41
O=C1N=C(CNS(=O)(=O)C2=CC=C3N=C(Cl)SC3=C2)[N-]O1	REAL300025569520	0	27	-1.0	-40.28	289.17	-1.17	-41.45
CCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025569521	0	32	-1.0	-41.88	312.67	-0.18	-42.06
O=C1N=C(CNS(=O)(=O)C2=CC=C(C(F)(F)F)C=C2Cl)[N-]O1	REAL300025569522	0	28	-1.0	-38.95	281.31	-0.04	-38.99
O=C1N=C(CNS(=O)(=O)C2=CC=C(Br)C(Cl)=C2)[N-]O1	REAL300025569523	0	25	-1.0	-38.80	277.04	-0.01	-38.81
CCC(=O)NCC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC	REAL300025569524	0	42	-1.0	-46.08	371.80	-1.92	-48.00
CCOC(=O)C1CC2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C2O1	REAL300025569525	0	39	-1.0	-44.90	354.39	1.16	-43.74
CC(C)(C)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025569526	0	34	-1.0	-40.48	313.88	0.56	-39.92
O=C1N=C(CNS(=O)(=O)CC2=C(F)C=CC=C2F)[N-]O1	REAL300025569527	0	28	-1.0	-46.50	275.28	-0.30	-46.80
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025569528	0	33	-1.0	-45.27	319.86	-4.31	-49.58
O=C1N=C(CNS(=O)(=O)C2=C(Cl)SC(Br)=C2)[N-]O1	REAL300025569529	0	22	-1.0	-37.18	257.96	-1.26	-38.44
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)SC(Br)=C2)[N-]O1	REAL300025569529	1	21	-2.0	-96.27	267.09	-1.50	-97.77
O=C1N=C(CNS(=O)(=O)C2=CN(C3CCOC3)N=C2)[N-]O1	REAL300025569530	0	33	-1.0	-42.17	298.94	-3.33	-45.50
O=C(C1CCCC1)N1CCCC(S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025569531	0	45	-1.0	-48.55	365.00	0.66	-47.89
CCOC(=O)C1=CC(F)=C(OC)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569532	0	38	-1.0	-41.71	351.95	0.51	-41.20
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569533	0	33	-1.0	-44.32	313.15	1.09	-43.23
CCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025569534	0	31	-1.0	-40.89	289.93	-3.46	-44.35
CC(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569535	0	32	-1.0	-48.23	296.70	-2.17	-50.40
CC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025569536	0	28	-1.0	-42.45	261.30	-0.45	-42.90
CC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025569537	0	30	-1.0	-41.30	297.68	-0.06	-41.36
CN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)NCC(F)(F)F	REAL300025569538	0	36	-1.0	-44.81	345.89	-2.15	-46.96
CS(=O)(=O)CC1=CC=C(Cl)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569539	0	34	-1.0	-50.31	329.17	-1.48	-51.79
O=C(NCC1=NC(=O)O[N-]1)N(C1=CC=CC=C1)C1=CC=CC=C1	REAL300025569540	0	36	-1.0	-39.15	315.80	5.64	-33.51
O=C1N=C(CNS(=O)(=O)C2=C3NC(=O)COC3=CC=C2)[N-]O1	REAL300025569541	0	31	-1.0	-47.08	287.52	-3.54	-50.62
COC(=O)C1(C2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2)CC1	REAL300025569542	0	38	-1.0	-43.83	339.24	1.55	-42.28
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569543	0	34	-1.0	-42.03	323.96	0.57	-41.46
O=C1N=C(CNS(=O)(=O)C2=CC=C3OCCCC3=C2)[N-]O1	REAL300025569544	0	33	-1.0	-41.87	294.60	-0.45	-42.32
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569545	0	29	-1.0	-46.25	299.76	0.37	-45.88
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2CN2C=NC=N2)[N-]O1	REAL300025569546	0	34	-1.0	-48.21	307.46	2.68	-45.53
CCC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C(C(=O)OC)O1	REAL300025569547	0	34	-1.0	-40.82	320.13	-0.76	-41.58
CC(C)OC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025569548	0	35	-1.0	-41.25	310.18	-0.23	-41.48
CCS(=O)(=O)NCCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025569549	0	39	-1.0	-48.63	376.21	-3.45	-52.08
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=NC=CC=C2C=C1	REAL300025569550	0	33	-1.0	-48.21	294.70	0.72	-47.49
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2C2=CC=NO2)[N-]O1	REAL300025569551	0	31	-1.0	-46.40	272.54	0.17	-46.23
CC(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C2=CC=CC=C12	REAL300025569552	0	38	-1.0	-49.46	333.57	0.29	-49.17
O=C1N=C(CNS(=O)(=O)CCCN2CCOCC2)[N-]O1	REAL300025569553	0	37	-1.0	-45.18	314.59	-4.11	-49.29
O=C1N=C(CNS(=O)(=O)C2=CC=C(OCC(F)(F)F)N=C2)[N-]O1	REAL300025569554	0	31	-1.0	-40.58	309.50	-3.00	-43.58
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569555	0	31	-1.0	-44.98	291.45	0.49	-44.49
CC1=CC=C(Br)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569556	0	28	-1.0	-42.11	278.80	0.32	-41.79
CC1=CC=C(Cl)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569557	0	28	-1.0	-41.98	263.98	-0.37	-42.35
O=C1N=C(CNS(=O)(=O)CC2=CC=C(F)C=C2F)[N-]O1	REAL300025569558	0	28	-1.0	-44.36	276.38	-0.27	-44.63
CCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025569559	0	36	-1.0	-44.27	341.32	-3.41	-47.68
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(C)O1	REAL300025569560	0	31	-1.0	-41.54	300.48	-1.57	-43.11
O=C(C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F)N1CCCC1	REAL300025569561	0	39	-1.0	-46.11	346.79	0.12	-45.99
O=C1N=C(CNS(=O)(=O)C2=CN=C3NC=CC(Cl)=C23)[N-]O1	REAL300025569562	0	28	-1.0	-55.36	278.11	-1.23	-56.59
O=C1N=C(CNS(=O)(=O)N2CCC3(CC2)OCCO3)[N-]O1	REAL300025569563	0	36	-1.0	-41.70	304.94	-3.01	-44.71
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C=C(F)C=C2Br)[N-]O1	REAL300025569564	0	25	-1.0	-37.77	271.66	0.33	-37.44
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Br)[N-]O1	REAL300025569564	1	24	-2.0	-96.20	273.17	-0.24	-96.44
O=C1N=C(CNS(=O)(=O)C2=CN=C(Cl)C=C2Cl)[N-]O1	REAL300025569565	0	24	-1.0	-37.62	254.86	-2.39	-40.01
O=C1N=C(C[N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)[N-]O1	REAL300025569565	1	23	-2.0	-93.92	265.03	-2.57	-96.49
CCCS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025569566	0	39	-1.0	-44.08	362.82	-2.63	-46.71
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025569567	0	27	-1.0	-41.64	279.03	-0.75	-42.39
CN(C)S(=O)(=O)CCCS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569568	0	35	-1.0	-53.33	324.85	-4.56	-57.89
COC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CN=C1Cl	REAL300025569569	0	28	-1.0	-40.16	281.75	-3.11	-43.27
CCN1C(=O)OC2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025569570	0	34	-1.0	-45.14	316.83	-0.12	-45.26
O=C1N=C(CNS(=O)(=O)C2=CC=C(OCC3CCOC3)C(F)=C2)[N-]O1	REAL300025569571	0	40	-1.0	-44.66	354.91	-0.61	-45.27
CC1(C2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2)OCCO1	REAL300025569572	0	37	-1.0	-42.26	328.52	-0.71	-42.97
O=C1N=C(CNS(=O)(=O)C2=CC(Br)=CC3=C2OCC3)[N-]O1	REAL300025569573	0	30	-1.0	-42.29	291.97	-0.60	-42.89
O=C1N=C(CNS(=O)(=O)C2=CC=C(I)C=C2)[N-]O1	REAL300025569574	0	25	-1.0	-39.33	268.69	0.01	-39.32
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569575	0	33	-1.0	-41.84	299.60	0.98	-40.86
O=C1N=C(CNS(=O)(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)[N-]O1	REAL300025569576	0	38	-1.0	-52.36	352.49	0.01	-52.35
CCC1=NOC2=NC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C12	REAL300025569577	0	32	-1.0	-43.35	302.14	-3.37	-46.72
O=C1N=C(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569578	0	27	-1.0	-51.06	258.42	0.40	-50.66
O=C1N=C(CNS(=O)(=O)C2=CC=C(Br)O2)[N-]O1	REAL300025569579	0	22	-1.0	-39.46	245.28	-2.36	-41.82
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(Br)O2)[N-]O1	REAL300025569579	1	21	-2.0	-98.81	243.97	-3.04	-101.85
N#CC1(CS(=O)(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL300025569580	0	35	-1.0	-50.18	295.91	-0.19	-50.37
O=C1N=C(CNS(=O)(=O)C2=C(F)C=CC=C2Cl)[N-]O1	REAL300025569581	0	25	-1.0	-43.95	255.35	-0.36	-44.31
O=C1N=C(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)[N-]O1	REAL300025569581	1	24	-2.0	-108.95	255.64	-0.96	-109.91
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(Cl)=N1	REAL300025569582	0	27	-1.0	-42.65	259.37	-2.28	-44.93
COC1=CC(C#N)=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569583	0	30	-1.0	-42.38	282.11	-0.87	-43.25
O=C1N=C(CNS(=O)(=O)C2=CC=C([N+](=O)[O-])C3=CC=CN=C32)[N-]O1	REAL300025569584	0	32	-1.0	-43.02	298.17	0.59	-42.43
CSC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025569585	0	29	-1.0	-41.69	296.11	0.39	-41.30
O=C1N=C(CNS(=O)(=O)C2=CC=C(N3C=CC=C3)C=C2)[N-]O1	REAL300025569586	0	33	-1.0	-41.85	301.76	1.70	-40.15
O=C1N=C(CNS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2)[N-]O1	REAL300025569587	0	27	-1.0	-40.18	275.63	-1.85	-42.03
COC(=O)C1=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)SC=N1	REAL300025569588	0	26	-2.0	-106.58	274.74	-3.43	-110.01
COC(=O)C1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)SC=N1	REAL300025569588	1	27	-1.0	-46.35	270.71	-2.96	-49.31
COC(=O)C1=CC(F)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569589	0	31	-1.0	-42.33	302.09	-0.36	-42.69
O=C1N=C(CNS(=O)(=O)CC2=NOC3=CC=CC=C32)[N-]O1	REAL300025569590	0	30	-1.0	-48.73	288.00	-1.02	-49.75
O=C1CC2=CC(S(=O)(=O)NCC3=NC(=O)O[N-]3)=CC3=C2N1CCC3	REAL300025569591	0	37	-1.0	-44.14	325.25	0.36	-43.78
COCN1N=C(C)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025569592	0	35	-1.0	-43.49	311.47	-3.49	-46.98
O=C(C1CCCC1)N1CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025569593	0	39	-1.0	-46.05	334.29	-0.83	-46.88
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569594	0	40	-1.0	-41.79	339.23	0.37	-41.42
O=C(C1=CC=CC=C1)N1CCCC(S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025569595	0	42	-1.0	-53.88	355.12	0.65	-53.23
O=C1N=C(CNS(=O)(=O)C2=CC=C(OCC(F)F)C=C2)[N-]O1	REAL300025569596	0	32	-1.0	-45.78	305.25	-0.54	-46.32
COC(=O)C1CCCCC1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569597	0	37	-1.0	-48.46	307.02	0.41	-48.05
N#CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025569598	0	26	-1.0	-41.01	263.25	-0.65	-41.66
COC1=CC(Br)=C(F)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569599	0	29	-1.0	-40.07	288.45	-0.59	-40.66
O=C(C1=CC=CC(Cl)=C1)N1CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)C1	REAL300025569600	0	36	-1.0	-48.10	338.31	-0.36	-48.46
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(=O)NC2=CC=CC=C2)C=C1	REAL300025573507	0	38	-1.0	-39.88	332.84	3.07	-36.81
CC(C)CC1=CC=C(CCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573508	0	45	-1.0	-37.22	369.80	6.00	-31.22
O=C(NCC1=NC(=O)O[N-]1)C1=CC(I)=CC([N+](=O)[O-])=C1	REAL300025573509	0	26	-1.0	-33.66	277.10	2.81	-30.85
CCS(=O)(=O)C1=CC=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573510	0	33	-1.0	-43.86	303.26	-0.53	-44.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1NCC1=CC=CC=C1	REAL300025573511	0	41	-1.0	-42.80	360.36	4.70	-38.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCC1=CC=CC=C1Cl	REAL300025573512	0	39	-1.0	-39.40	346.63	4.48	-34.92
COC1=CC=C(CCCC(=O)NCC2=NC(=O)O[N-]2)C(OC)=C1	REAL300025573513	0	41	-1.0	-40.42	346.44	1.97	-38.45
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(C(F)(F)F)=C1	REAL300025573514	0	27	-1.0	-33.67	281.46	2.67	-31.00
COC1=CC=C2C(=C1)OCC2CC(=O)NCC1=NC(=O)O[N-]1	REAL300025573515	0	36	-1.0	-38.35	307.99	0.81	-37.54
CCC(C)N1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1C1CC1	REAL300025573516	0	40	-1.0	-39.39	331.62	2.84	-36.55
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573517	0	37	-1.0	-40.93	340.13	2.65	-38.28
CC1=NN(C2=CC=C(Br)C=C2)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573518	0	34	-1.0	-36.25	321.48	3.44	-32.81
CCC1=CSC(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)C=N2)=N1	REAL300025573519	0	33	-1.0	-42.39	312.42	1.76	-40.63
O=C(NCC1=NC(=O)O[N-]1)C1=CNC2=CC=CC([N+](=O)[O-])=C12	REAL300025573520	0	30	-1.0	-52.29	276.48	2.79	-49.50
O=C(CCSC1=CC=CC=C1Br)NCC1=NC(=O)O[N-]1	REAL300025573521	0	31	-1.0	-36.94	305.14	3.55	-33.39
O=C(COC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)NCC1=NC(=O)O[N-]1	REAL300025573522	0	34	-1.0	-37.01	332.46	3.64	-33.37
CC(C)(C)OC(=O)NC1(C)CCCCC1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573523	0	50	-1.0	-37.24	374.98	2.43	-34.81
O=C(CCC(=O)NC1=CC=C2NC(=O)NC2=N1)NCC1=NC(=O)O[N-]1	REAL300025573524	0	37	-1.0	-50.53	332.68	-1.70	-52.23
CC1=CC=C(C2=NC(C(=O)NCC3=NC(=O)O[N-]3)=CS2)N1C	REAL300025573525	0	34	-1.0	-45.24	310.33	1.51	-43.73
CN1C(=O)CCC2=CC(C(=O)NCC3=NC(=O)O[N-]3)=CC=C21	REAL300025573526	0	35	-1.0	-39.13	297.65	1.96	-37.17
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1CCOC1CCCCO1	REAL300025573527	0	45	-1.0	-40.80	372.09	1.56	-39.24
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(OCC(F)F)=C1	REAL300025573528	0	30	-1.0	-39.57	283.38	-0.97	-40.54
O=C(CCC1=CC(Br)=CC=C1F)NCC1=NC(=O)O[N-]1	REAL300025573529	0	30	-1.0	-36.39	293.90	3.18	-33.21
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300025573530	0	34	-1.0	-44.09	334.75	3.85	-40.24
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=NN1C1CCCCC1	REAL300025573531	0	40	-1.0	-43.42	329.90	2.73	-40.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CN=C1OCC(F)F	REAL300025573532	0	30	-1.0	-45.19	281.02	0.26	-44.93
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)NC(C2=CC(C)=CC=C2)=N1	REAL300025573533	0	37	-1.0	-37.01	322.31	2.76	-34.25
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1NCCC1=CCCCC1	REAL300025573534	0	46	-1.0	-36.98	369.54	5.04	-31.94
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OCC(F)F)N=C1	REAL300025573535	0	30	-1.0	-38.24	283.10	-0.98	-39.22
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=NC=C1	REAL300025573536	0	33	-1.0	-39.27	292.07	0.86	-38.41
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=[NH+]C=C1	REAL300025573536	1	34	0.0	-65.79	297.09	1.36	-64.43
O=C(NCC1=NC(=O)O[N-]1)C1=CC2=CC=CC=C2C=C1OC(F)F	REAL300025573537	0	34	-1.0	-40.22	304.11	4.16	-36.06
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025573538	0	36	-1.0	-40.80	325.60	1.71	-39.09
CC(C)(C)OC(=O)NCC1(CC(=O)NCC2=NC(=O)O[N-]2)CCCCC1	REAL300025573539	0	53	-1.0	-40.98	395.19	2.29	-38.69
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573540	0	47	-1.0	-38.91	360.48	2.93	-35.98
CCS(=O)(=O)C1=CC=CC(CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573541	0	36	-1.0	-46.78	327.91	0.14	-46.64
CCSC1=CC(Cl)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573542	0	31	-1.0	-36.21	295.01	3.40	-32.81
O=C(CCC(=O)C1=CC=C2NC(=O)CCC2=C1)NCC1=NC(=O)O[N-]1	REAL300025573543	0	40	-1.0	-41.77	347.00	1.55	-40.22
CC1=CC(C)=C(Br)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573544	0	30	-1.0	-37.63	276.98	2.91	-34.72
COCC1=C(C(=O)NCC2=NC(=O)O[N-]2)C=NN1C1=CC=CC=C1	REAL300025573545	0	38	-1.0	-41.27	328.87	1.86	-39.41
O=C(NCC1=NC(=O)O[N-]1)C1CC1C1=CC(F)=C(F)C(F)=C1	REAL300025573546	0	31	-1.0	-37.29	292.68	3.26	-34.03
CC(C)(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300025573547	0	35	-1.0	-39.79	307.58	3.29	-36.50
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C(O)=C1	REAL300025573548	0	25	-1.0	-35.51	258.81	-0.66	-36.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C([O-])=C1	REAL300025573548	1	24	-2.0	-84.95	255.24	0.10	-84.85
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573549	0	38	-1.0	-40.72	330.52	4.26	-36.46
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2F)C=C1	REAL300025573550	0	31	-1.0	-38.65	292.26	2.25	-36.40
CC(C)(C)OC(=O)N1CCCC1C(=O)NCCC(=O)NCC1=NC(=O)O[N-]1	REAL300025573551	0	51	-1.0	-51.62	416.13	0.52	-51.10
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NCC3=NC(=O)O[N-]3)=NO2)CC1	REAL300025573552	0	49	-1.0	-39.72	394.66	1.52	-38.20
COC1=CC=C(C(=O)CC(C)(C)CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573553	0	45	-1.0	-42.79	360.55	3.49	-39.30
CN1N=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025573554	0	24	-1.0	-37.22	243.64	-0.74	-37.96
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573555	0	35	-2.0	-95.92	321.94	-1.41	-97.33
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573555	1	36	-1.0	-44.82	325.39	-2.41	-47.23
COC1=CC=C(C(=O)C(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025573556	0	30	-1.0	-37.84	287.04	0.75	-37.09
CN1C=C(N2C=C(C(=O)NCC3=NC(=O)O[N-]3)C=CC2=O)C=N1	REAL300025573557	0	34	-1.0	-39.45	301.25	0.86	-38.59
CC1=NN(CC(F)F)C(C)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573558	0	33	-1.0	-39.43	302.95	0.88	-38.55
CCN1C=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)C2=CC(Cl)=CC=C21	REAL300025573559	0	36	-1.0	-55.63	325.92	3.90	-51.73
COC(=O)C(C)SC1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573560	0	37	-1.0	-43.29	330.66	3.56	-39.73
COCCC1=NN=C(C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)O1	REAL300025573561	0	39	-1.0	-41.74	349.18	-2.47	-44.21
CC1=NC=CC(NCC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025573562	0	40	-1.0	-41.30	349.15	2.53	-38.77
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=N1	REAL300025573562	1	41	0.0	-60.18	352.28	2.98	-57.20
C=CCOC1=CC(OC)=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573563	0	36	-1.0	-40.47	312.58	2.42	-38.05
CC(C)(C)OC(=O)NCC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=N1	REAL300025573564	0	43	-1.0	-38.02	364.39	-0.35	-38.37
CC1=NN(C)C(SC2=CC=CC=C2)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573565	0	38	-1.0	-39.15	348.50	3.14	-36.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC=C1SC1CCCC1	REAL300025573566	0	38	-1.0	-37.93	335.29	5.23	-32.70
O=C(NCC1=NC(=O)O[N-]1)C1=CC=NC(OC2CCOC2)=C1	REAL300025573567	0	35	-1.0	-37.47	305.13	-1.68	-39.15
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)NCC1=NC(=O)O[N-]1	REAL300025573568	0	36	-1.0	-37.86	327.38	4.32	-33.54
CC1=C(Br)C=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)N1	REAL300025573569	0	27	-1.0	-48.05	262.61	-0.64	-48.69
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573570	0	32	-2.0	-79.56	294.03	-2.21	-81.77
CCNS(=O)(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573571	0	38	-1.0	-43.33	343.40	-1.24	-44.57
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(I)=C1[O-]	REAL300025573572	0	24	-2.0	-88.54	253.09	1.71	-86.83
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(I)=C1O	REAL300025573572	1	25	-1.0	-36.91	256.66	0.71	-36.20
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N+](=O)[O-])=CC=C1SCC1CCCC1	REAL300025573573	0	43	-1.0	-41.59	371.92	6.26	-35.33
CNS(=O)(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573574	0	35	-1.0	-43.77	322.36	-2.10	-45.87
CC1=CC(Br)=CC(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573575	0	27	-1.0	-36.42	263.82	2.33	-34.09
CC(C(=O)NCC1=NC(=O)O[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300025573576	0	32	-1.0	-35.92	294.94	2.96	-32.96
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1	REAL300025573577	0	34	-1.0	-52.19	312.40	3.63	-48.56
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573578	0	35	-1.0	-36.83	319.42	3.49	-33.34
COC1=CC=C(C2(C(=O)NCC3=NC(=O)O[N-]3)CCC2)C=C1OC	REAL300025573579	0	42	-1.0	-40.22	347.03	2.54	-37.68
O=C(CC1=CC(Cl)=CC2=C1OCC2)NCC1=NC(=O)O[N-]1	REAL300025573580	0	32	-1.0	-39.50	298.31	2.09	-37.41
CCCCSC1=CC=C(Cl)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025573581	0	37	-1.0	-37.95	338.01	5.00	-32.95
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C(Br)C=C1Br	REAL300025573582	0	23	-1.0	-36.19	255.95	0.56	-35.63
O=C(CCCCC1SCC2NC(=O)NC12)NCC1=NC(=O)O[N-]1	REAL300025573583	0	41	-1.0	-43.50	350.86	-1.09	-44.59
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(OC2CCCC2)N=C1	REAL300025573584	0	37	-1.0	-36.26	314.34	0.90	-35.36
CC(C)(C)OC(=O)NCC1(C(=O)NCC2=NC(=O)O[N-]2)CC1	REAL300025573585	0	41	-1.0	-40.25	343.54	-0.13	-40.38
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)N=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300025573586	0	33	-1.0	-37.23	331.17	1.29	-35.94
COC1=CC=C(C(=O)CCCCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573587	0	42	-1.0	-41.56	359.67	3.24	-38.32
CC1=NC(C(=O)NCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)O1	REAL300025573588	0	33	-1.0	-41.98	299.04	0.18	-41.80
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573589	0	40	-1.0	-42.82	348.57	3.75	-39.07
CC1(C(=O)NCC2=NC(=O)O[N-]2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300025573590	0	46	0.0	-51.66	355.04	5.12	-46.54
CC(C)S(=O)(=O)C1=CC=C(CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025573591	0	39	-1.0	-44.90	345.29	0.73	-44.17
CC1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)S2)O1	REAL300025573592	0	31	-1.0	-38.09	297.78	2.77	-35.32