O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300025550550	1	38	-2.0	-84.63	355.88	1.07	-83.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300025550614	1	38	-2.0	-83.11	356.11	1.05	-82.06
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025550625	1	41	-2.0	-89.68	371.08	1.66	-88.02
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025550749	0	31	-2.0	-88.72	288.93	-1.88	-90.60
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300025550774	1	38	-2.0	-91.44	349.49	1.01	-90.43
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NCC1=NC(=O)O[N-]1	REAL300025550779	0	31	-2.0	-100.18	307.15	-2.68	-102.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300025550780	1	38	-2.0	-90.04	349.66	1.00	-89.04
O=C(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025550805	1	31	-2.0	-93.89	322.26	-1.65	-95.54
CCOC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1[O-]	REAL300025550845	1	31	-2.0	-84.91	295.59	0.58	-84.33
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025551000	1	41	-2.0	-90.07	371.08	1.67	-88.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300025551076	0	35	-2.0	-89.62	341.41	0.01	-89.61
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025551092	1	41	-2.0	-84.98	371.06	1.67	-83.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300025551093	1	38	-2.0	-84.32	349.66	1.00	-83.32
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551153	0	31	-2.0	-84.03	295.34	-1.82	-85.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300025551353	0	38	-2.0	-89.40	353.58	1.35	-88.05
COCCCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025551356	0	42	-2.0	-78.46	378.44	2.14	-76.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1	REAL300025551717	1	38	-2.0	-78.82	356.09	1.07	-77.75
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551718	1	41	-2.0	-84.34	369.57	1.77	-82.57
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025551730	0	34	-2.0	-89.23	310.32	-1.20	-90.43
CSC1=NC(C)=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(=O)[N-]1	REAL300025551751	1	35	-2.0	-89.07	322.58	-0.88	-89.95
CC1=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300025551887	1	44	-2.0	-90.45	368.17	0.98	-89.47
C=CCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025551893	0	36	-2.0	-77.27	336.54	2.89	-74.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)N(CC3=CC=CO3)C(=S)[N-]C2=C1	REAL300025551894	0	39	-2.0	-78.78	360.77	3.33	-75.45
CN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025551895	0	32	-2.0	-76.05	302.13	1.27	-74.78
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL300025551918	1	30	-2.0	-92.53	303.94	2.43	-90.10
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025551954	0	37	-2.0	-92.70	334.82	0.38	-92.32
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025551967	1	33	-2.0	-90.12	328.08	3.79	-86.33
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551968	1	36	-2.0	-94.35	332.76	3.95	-90.40
COC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025551969	1	40	-2.0	-87.41	360.65	3.13	-84.28
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NCC1=NC(=O)O[N-]1	REAL300025551970	0	32	-2.0	-91.02	305.93	1.86	-89.16
O=C(CCCCCN1C(=O)C2=CC=CC=C2[N-]C1=S)NCC1=NC(=O)O[N-]1	REAL300025551971	0	44	-2.0	-85.02	391.00	4.68	-80.34
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552001	1	39	-2.0	-88.73	352.60	4.50	-84.23
CCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025552002	0	35	-2.0	-76.58	323.27	2.33	-74.25
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NCC1=NC(=O)O[N-]1	REAL300025552022	0	35	-2.0	-86.24	326.50	2.31	-83.93
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025552068	1	37	-2.0	-92.66	340.80	2.57	-90.09
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025552069	1	36	-2.0	-94.61	332.78	3.94	-90.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300025552124	0	39	-2.0	-97.14	348.34	-0.28	-97.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1[O-]	REAL300025552125	1	24	-2.0	-89.48	247.69	1.22	-88.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1O	REAL300025552127	0	36	-2.0	-89.90	350.15	-1.46	-91.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1[O-]	REAL300025552127	1	35	-3.0	-190.87	346.60	-0.45	-191.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(Br)=C1[O-]	REAL300025552128	0	24	-2.0	-85.00	268.10	1.85	-83.15
O=C(CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025552234	0	38	-2.0	-93.91	366.25	0.68	-93.23
O=C(CC1=CC=CS1)[N-]C1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025552254	1	36	-2.0	-88.17	352.79	0.65	-87.52
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)[N-]1	REAL300025552260	0	40	-2.0	-89.44	360.82	2.13	-87.31
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025552268	1	37	-2.0	-87.25	336.83	-2.77	-90.02
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025552279	1	28	-2.0	-86.36	281.38	-5.18	-91.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300025552306	1	37	-2.0	-80.56	344.70	-0.75	-81.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300025552345	0	31	-2.0	-78.68	286.47	-3.70	-82.38
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300025552441	1	37	-2.0	-94.78	333.06	-0.62	-95.40
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300025552471	1	37	-2.0	-93.32	333.24	-0.63	-93.95
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300025552475	0	35	-2.0	-88.48	341.60	-0.00	-88.48
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025552514	1	35	-2.0	-87.89	323.14	-0.78	-88.67
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552658	0	37	-2.0	-90.45	331.90	-0.19	-90.64
CN1C2=NC(CCC(=O)NCC3=NC(=O)O[N-]3)=NC2=C([O-])NC1=O	REAL300025552827	0	35	-2.0	-80.71	319.49	-2.92	-83.63
CN1C2=C(N=C(CCC(=O)NCC3=NC(=O)O[N-]3)[N-]2)C(=O)NC1=O	REAL300025552827	1	35	-2.0	-78.83	319.63	-2.18	-81.01
CN1C2=C([N-]C(CCC(=O)NCC3=NC(=O)O[N-]3)=N2)C(=O)NC1=O	REAL300025552827	1	35	-2.0	-78.97	319.32	-2.27	-81.24
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025552936	0	34	-2.0	-90.09	310.40	-0.98	-91.07
CC1=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300025552959	1	40	-2.0	-89.96	355.13	0.22	-89.74
CC(C(=O)NCC1=NC(=O)O[N-]1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300025552961	1	33	-2.0	-94.52	315.20	2.45	-92.07
CN1C=C([N-]S(=O)(=O)C2=C(C(=O)NCC3=NC(=O)O[N-]3)SC=C2)C=N1	REAL300025552963	0	35	-2.0	-97.94	341.44	-1.08	-99.02
CC1=C(CC(=O)NCC2=NC(=O)O[N-]2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300025553021	0	36	-2.0	-104.35	329.76	-1.67	-106.02
CC1=CC=C([N-]S(=O)(=O)C2=C(C(=O)NCC3=NC(=O)O[N-]3)SC=C2)C=C1	REAL300025553066	0	38	-2.0	-98.40	356.86	1.86	-96.54
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025553145	1	35	-2.0	-95.62	309.13	-1.07	-96.69
O=C(CCC(=O)NCC1=NC(=O)O[N-]1)[N-]C1=NN=C(C2CC2)O1	REAL300025553162	0	35	-2.0	-89.98	322.72	-5.31	-95.29
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553167	0	38	-2.0	-94.41	344.73	-2.98	-97.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300025553190	0	31	-2.0	-81.32	308.72	-1.29	-82.61
O=C(CC1(CC(=O)NCC2=NC(=O)O[N-]2)CCCCC1)[N-]C1=NC=CS1	REAL300025553191	1	45	-2.0	-88.42	362.57	1.64	-86.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12	REAL300025553236	0	32	-2.0	-81.13	307.09	0.63	-80.50
O=C(NCC1=NC(=O)O[N-]1)C1=C(NC(=O)C2=CC=C(Cl)C=C2[O-])SC=C1	REAL300025553300	0	35	-2.0	-84.89	341.80	2.32	-82.57
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553407	0	41	-2.0	-96.57	368.59	1.96	-94.61
O=C(CCNC(=O)C1=NC=CC=C1[O-])NCC1=NC(=O)O[N-]1	REAL300025553485	1	33	-2.0	-96.02	304.73	-1.97	-97.99
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025553611	1	32	-2.0	-92.94	319.84	-8.11	-101.05
CC1=CC=C(N2[N-]C(C(=O)NCC3=NC(=O)O[N-]3)=CC2=O)C=C1	REAL300025553620	0	34	-2.0	-89.42	309.36	1.38	-88.04
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300025553746	0	32	-2.0	-98.46	293.96	-1.28	-99.74
CC1=C(C(=O)NCC2=NC(=O)O[N-]2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300025553747	1	37	-2.0	-95.61	313.29	-0.40	-96.01
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025553749	0	35	-2.0	-102.95	318.80	-0.42	-103.37
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300025553750	0	31	-2.0	-98.47	295.73	0.35	-98.12
CC1=CC(C)=NC(N2[N-]C(C(=O)NCC3=NC(=O)O[N-]3)=CC2=O)=N1	REAL300025553751	0	35	-2.0	-98.77	324.87	1.79	-96.98
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC=C(Br)C=C2C1=O	REAL300025553752	1	29	-2.0	-86.73	288.20	1.34	-85.39
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300025553753	0	31	-2.0	-109.10	293.82	0.43	-108.67
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(OC(F)(F)F)C=CC=C2C1=O	REAL300025553754	0	33	-2.0	-86.53	312.59	0.61	-85.92
CC1=CC(F)=CC2=C1[N-]C=C(C(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025553755	1	32	-2.0	-88.40	293.30	1.66	-86.74
CC(C)(C)C(=O)[N-]C1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025553790	1	38	-2.0	-88.54	343.01	-0.22	-88.76
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300025553803	0	39	-2.0	-91.07	353.71	-2.79	-93.86
CC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300025553835	0	34	-2.0	-75.71	330.91	-0.82	-76.53
CCOC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025553838	1	43	-2.0	-87.10	382.50	4.05	-83.05
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025553839	1	39	-2.0	-89.02	352.83	4.50	-84.52
O=C(CSC1=N[N-]C(=S)S1)NCC1=NC(=O)O[N-]1	REAL300025553840	0	23	-2.0	-77.06	267.10	-1.07	-78.13
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025553860	0	34	-2.0	-99.20	317.05	1.31	-97.89
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025553958	0	40	-2.0	-102.91	349.51	2.20	-100.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1	REAL300025553982	0	34	-2.0	-83.59	338.19	-0.81	-84.40
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025554021	0	40	-2.0	-87.79	362.05	-0.08	-87.87
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025554055	0	37	-2.0	-87.78	343.13	-0.85	-88.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1[O-]	REAL300025554094	0	24	-2.0	-90.29	246.81	1.24	-89.05
CC(C)(C)NC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C([O-])=C1	REAL300025554097	1	42	-2.0	-109.03	352.81	0.18	-108.85
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C([O-])=C1	REAL300025554098	1	41	-2.0	-103.33	348.35	0.84	-102.49
O=C(NC1=CC=C([O-])C(C(=O)NCC2=NC(=O)O[N-]2)=C1)OCC(F)(F)F	REAL300025554099	1	35	-2.0	-92.74	334.77	0.19	-92.55
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL300025554140	1	28	-2.0	-81.66	280.51	-5.20	-86.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1O	REAL300025554146	0	36	-2.0	-90.47	350.44	-1.46	-91.93
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1[O-]	REAL300025554146	1	35	-3.0	-179.40	346.88	-0.46	-179.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC(I)=CC=C1[O-]	REAL300025554147	1	24	-2.0	-89.67	254.17	1.70	-87.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1[O-]	REAL300025554148	1	24	-2.0	-89.83	247.68	1.22	-88.61
O=C(NCC1=NC(=O)O[N-]1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300025554149	0	30	-2.0	-93.79	285.59	3.35	-90.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2=CC(F)=CC(F)=C2)C=C1[O-]	REAL300025554155	1	38	-2.0	-104.80	350.86	2.76	-102.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=C([O-])C(Br)=C1	REAL300025554167	0	24	-2.0	-76.59	269.32	0.33	-76.26
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300025554295	0	31	-2.0	-74.41	311.20	-1.56	-75.97
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300025554341	1	27	-2.0	-87.97	265.09	1.60	-86.37
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=C(F)C=CC=C1F	REAL300025554391	1	26	-2.0	-111.75	262.88	0.03	-111.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C([O-])=C1	REAL300025554481	1	24	-2.0	-84.95	255.24	0.10	-84.85
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300025554489	0	29	-2.0	-78.14	291.06	-2.74	-80.88
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025554506	0	32	-2.0	-79.56	294.03	-2.21	-81.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300025555522	0	27	-2.0	-90.62	263.85	1.64	-88.98
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300025555524	0	29	-2.0	-81.73	277.81	-1.27	-83.00
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300025555555	1	26	-2.0	-104.51	281.07	0.78	-103.73
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(I)C([O-])=C1	REAL300025555559	0	23	-2.0	-78.70	250.45	-1.82	-80.52
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(F)C(F)=CC=C2C1=O	REAL300025555569	0	29	-2.0	-82.76	279.30	0.88	-81.88
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300025555584	0	26	-2.0	-86.15	269.12	2.37	-83.78
COC1=CC(OC)=C2C(=O)C(C(=O)NCC3=NC(=O)O[N-]3)=C[N-]C2=C1	REAL300025555795	1	37	-2.0	-94.01	323.67	0.45	-93.56
N#CC1=CN(CCC(=O)NCC2=NC(=O)O[N-]2)C(=O)[N-]C1=O	REAL300025555841	0	30	-2.0	-86.39	293.04	-3.34	-89.73
O=C(NCC1=NC(=O)O[N-]1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300025555844	1	31	-2.0	-99.45	282.42	0.08	-99.37
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025555885	0	30	-2.0	-88.73	289.98	-2.86	-91.59
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025555955	0	37	-2.0	-103.72	323.43	2.08	-101.64
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300025555957	0	30	-2.0	-88.23	278.07	0.81	-87.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300025555957	1	30	-2.0	-88.02	278.17	0.83	-87.19
CC1=CC(C)=NC(N2[N-]C(C(=O)NCC3=NC(=O)O[N-]3)=C(CCO)C2=O)=N1	REAL300025555992	0	42	-2.0	-99.41	375.35	-0.09	-99.50
O=C([N-]CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1)C(F)(F)F	REAL300025556113	0	30	-2.0	-80.21	304.25	-2.97	-83.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1[O-]	REAL300025556215	1	24	-2.0	-90.19	254.17	1.70	-88.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(F)=C1[O-]	REAL300025556225	0	24	-2.0	-88.42	253.90	1.29	-87.13
O=CC1=CC=C(C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C([O-])=C2)O1	REAL300025556249	0	33	-2.0	-109.19	309.96	2.74	-106.45
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)C(=O)[N-]C=N1	REAL300025556317	0	22	-2.0	-79.96	235.63	-2.63	-82.59
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL300025556359	1	26	-2.0	-95.87	266.84	0.15	-95.72
O=C(NCC1=NC(=O)O[N-]1)C1=NC=C(Br)C=C1[O-]	REAL300025556396	0	23	-2.0	-89.16	244.95	-0.51	-89.67
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NCC3=NC(=O)O[N-]3)=C2)O1	REAL300025556533	1	33	-2.0	-108.57	310.06	2.75	-105.82
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NCC1=NC(=O)O[N-]1	REAL300025556555	0	28	-2.0	-81.93	295.64	-0.59	-82.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300025556566	0	24	-2.0	-85.65	259.14	1.64	-84.01
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300025556704	0	30	-2.0	-85.94	283.71	0.61	-85.33
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)O2)[N-]1	REAL300025556830	1	30	-2.0	-82.20	290.01	-0.71	-82.91
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC(F)=C(F)C=C2C1=O	REAL300025556838	0	29	-2.0	-80.85	279.58	0.85	-80.00
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300025557160	0	23	-2.0	-89.04	255.16	-3.08	-92.12
O=C(NCC1=NC(=O)O[N-]1)C1=C(Br)[N-]N=C1Br	REAL300025557184	1	20	-2.0	-78.62	244.68	-1.77	-80.39
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C(F)C=C1F	REAL300025557273	1	26	-2.0	-102.11	265.02	0.07	-102.04
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC(Cl)=C(Cl)C=C2C1=O	REAL300025557435	1	29	-2.0	-82.07	298.74	1.69	-80.38
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025558664	0	34	-2.0	-98.26	311.11	-1.39	-99.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300025558688	1	41	-2.0	-92.26	371.66	1.49	-90.77
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025558691	0	34	-2.0	-104.54	329.33	-2.19	-106.73
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300025558692	1	41	-2.0	-98.84	371.84	1.49	-97.35
O=C(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025558716	1	34	-2.0	-98.30	344.44	-1.16	-99.46
CCOC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1[O-]	REAL300025558758	1	34	-2.0	-88.64	317.77	1.08	-87.56
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300025558979	0	38	-2.0	-95.22	363.59	0.50	-94.72
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300025559003	1	41	-2.0	-90.39	371.84	1.49	-88.90
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559074	0	34	-2.0	-91.38	317.52	-1.32	-92.70
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025559688	0	37	-2.0	-98.58	332.51	-0.71	-99.29
CSC1=NC(C)=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]1	REAL300025559711	1	38	-2.0	-94.48	344.76	-0.39	-94.87
CC1=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300025559854	1	47	-2.0	-95.70	390.35	1.47	-94.23
C=CCN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025559858	0	39	-2.0	-88.24	358.71	3.39	-84.85
CN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025559859	0	35	-2.0	-87.08	324.16	1.90	-85.18
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL300025559884	1	33	-2.0	-103.15	326.12	2.92	-100.23
CS(=O)(=O)[N-]C1=CC2=CC=CC=C2C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025559922	0	40	-2.0	-103.64	357.00	0.86	-102.78
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025559942	1	36	-2.0	-101.09	349.90	4.27	-96.82
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559943	1	39	-2.0	-105.36	354.57	4.43	-100.93
COC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559944	1	43	-2.0	-91.65	382.84	3.62	-88.03
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NCCC1=NC(=O)O[N-]1	REAL300025559945	0	35	-2.0	-98.97	328.11	2.35	-96.62
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025559974	1	42	-2.0	-92.88	374.78	4.99	-87.89
CCN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025559975	0	38	-2.0	-87.42	345.44	2.82	-84.60
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NCCC1=NC(=O)O[N-]1	REAL300025559995	0	38	-2.0	-91.89	348.68	2.80	-89.09
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025560041	1	40	-2.0	-104.69	362.61	3.06	-101.63
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025560042	1	39	-2.0	-105.68	354.60	4.42	-101.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300025560103	0	42	-2.0	-104.39	370.52	0.21	-104.18
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1[O-]	REAL300025560104	1	27	-2.0	-99.16	269.87	1.71	-97.45
O=C(CC1=CC=CS1)[N-]C1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025560232	1	39	-2.0	-100.77	374.97	1.14	-99.63
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2)[N-]1	REAL300025560238	0	43	-2.0	-94.94	383.00	2.61	-92.33
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025560247	1	40	-2.0	-82.69	357.18	-2.15	-84.84
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025560260	1	31	-2.0	-82.51	303.56	-4.69	-87.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300025560291	1	40	-2.0	-86.89	366.88	-0.27	-87.16
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300025560331	0	34	-2.0	-88.22	308.65	-3.21	-91.43
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300025560426	1	40	-2.0	-104.58	356.15	-0.08	-104.66
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C(C2=CC=NC=C2)=N1	REAL300025560460	1	40	-2.0	-103.14	355.42	-0.14	-103.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300025560464	0	38	-2.0	-97.29	363.78	0.50	-96.79
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025560505	1	38	-2.0	-100.35	345.32	-0.29	-100.64
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560662	0	40	-2.0	-100.21	354.08	0.30	-99.91
CN1C2=NC(CCC(=O)NCCC3=NC(=O)O[N-]3)=NC2=C([O-])NC1=O	REAL300025560849	0	38	-2.0	-84.20	341.67	-2.43	-86.63
CN1C2=C(N=C(CCC(=O)NCCC3=NC(=O)O[N-]3)[N-]2)C(=O)NC1=O	REAL300025560849	1	38	-2.0	-84.60	341.81	-1.69	-86.29
CN1C2=C([N-]C(CCC(=O)NCCC3=NC(=O)O[N-]3)=N2)C(=O)NC1=O	REAL300025560849	1	38	-2.0	-84.75	341.51	-1.78	-86.53
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025560968	0	37	-2.0	-99.74	332.58	-0.49	-100.23
CC1=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C(C2=CC=CN=C2)=N1	REAL300025560996	1	43	-2.0	-95.26	377.31	0.71	-94.55
CC(C(=O)NCCC1=NC(=O)O[N-]1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300025560998	1	36	-2.0	-108.68	337.09	2.97	-105.71
CN1C=C([N-]S(=O)(=O)C2=C(C(=O)NCCC3=NC(=O)O[N-]3)SC=C2)C=N1	REAL300025561000	0	38	-2.0	-112.51	363.62	-0.59	-113.10
CC1=C(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300025561062	0	39	-2.0	-114.49	351.94	-1.18	-115.67
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025561206	1	38	-2.0	-110.21	331.31	-0.58	-110.79
O=C(CCC(=O)NCCC1=NC(=O)O[N-]1)[N-]C1=NN=C(C2CC2)O1	REAL300025561224	0	38	-2.0	-94.83	344.90	-4.82	-99.65
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561230	0	41	-2.0	-102.35	367.49	-2.49	-104.84
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300025561255	0	34	-2.0	-92.78	330.90	-0.80	-93.58
O=C(CC1(CC(=O)NCCC2=NC(=O)O[N-]2)CCCCC1)[N-]C1=NC=CS1	REAL300025561256	1	48	-2.0	-92.15	384.75	2.13	-90.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12	REAL300025561308	0	35	-2.0	-92.79	329.30	1.12	-91.67
O=C(NCCC1=NC(=O)O[N-]1)C1=N[N-]C2=CC=CC=C2C1=O	REAL300025561374	0	31	-2.0	-95.10	287.31	1.28	-93.82
O=C(CCNC(=O)C1=NC=CC=C1[O-])NCCC1=NC(=O)O[N-]1	REAL300025561581	1	36	-2.0	-107.65	326.90	-1.48	-109.13
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025561727	1	35	-2.0	-88.97	342.02	-7.62	-96.59
CC1=CC=C(N2[N-]C(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=O)C=C1	REAL300025561737	0	37	-2.0	-91.40	331.54	1.86	-89.54
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300025561768	0	29	-2.0	-89.13	283.75	-1.14	-90.27
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300025561878	0	35	-2.0	-90.65	316.13	-0.80	-91.45
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C(C(C)(C)C)=N1	REAL300025561879	1	40	-2.0	-87.58	335.47	0.10	-87.48
CC1=C(C(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C(C(C)C)=N1	REAL300025561880	1	37	-2.0	-86.98	315.96	-0.51	-87.49
COC1=CC=C(N2C=C([O-])C(C(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025561882	0	38	-2.0	-108.97	340.98	0.07	-108.90
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300025561883	0	34	-2.0	-105.23	317.91	0.83	-104.40
CC1=CC(C)=NC(N2[N-]C(C(=O)NCCC3=NC(=O)O[N-]3)=CC2=O)=N1	REAL300025561884	0	38	-2.0	-99.23	347.05	2.27	-96.96
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC=C(Br)C=C2C1=O	REAL300025561885	1	32	-2.0	-82.01	310.38	1.83	-80.18
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300025561886	0	34	-2.0	-113.01	316.00	0.92	-112.09
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(OC(F)(F)F)C=CC=C2C1=O	REAL300025561887	0	36	-2.0	-83.66	334.77	1.10	-82.56
CC1=CC(F)=CC2=C1[N-]C=C(C(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025561888	1	35	-2.0	-82.94	315.47	2.15	-80.79
CC(C)(C)C(=O)[N-]C1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025561927	1	41	-2.0	-100.91	365.18	0.27	-100.64
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300025561940	0	42	-2.0	-103.16	375.89	-2.30	-105.46
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300025561980	0	37	-2.0	-77.96	353.09	-0.33	-78.29
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025561984	1	42	-2.0	-92.85	375.00	4.99	-87.86
O=C(CSC1=N[N-]C(=S)S1)NCCC1=NC(=O)O[N-]1	REAL300025561985	0	26	-2.0	-82.41	289.28	-0.58	-82.99
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025562017	0	37	-2.0	-106.23	339.25	1.79	-104.44
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025562129	0	43	-2.0	-108.95	371.69	2.69	-106.26
CSC1=NC(=O)[N-]C(C)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562139	1	32	-2.0	-90.14	305.73	-3.11	-93.25
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1	REAL300025562158	0	37	-2.0	-89.95	360.37	-0.32	-90.27
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025562203	0	43	-2.0	-92.35	384.23	0.41	-91.94
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025562240	0	40	-2.0	-92.28	365.31	-0.36	-92.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1[O-]	REAL300025562288	0	27	-2.0	-101.92	268.99	1.73	-100.19
CC(C)(C)NC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C([O-])=C1	REAL300025562291	1	45	-2.0	-122.42	374.99	0.67	-121.75
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C([O-])=C1	REAL300025562292	1	44	-2.0	-116.74	370.53	1.34	-115.40
O=C(NC1=CC=C([O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=C1)OCC(F)(F)F	REAL300025562293	1	38	-2.0	-105.12	357.25	0.68	-104.44
C[N-]S(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CO1	REAL300025562344	1	31	-2.0	-92.64	302.69	-4.71	-97.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(I)=CC=C1[O-]	REAL300025562351	1	27	-2.0	-99.51	276.35	2.19	-97.32
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1[O-]	REAL300025562352	1	27	-2.0	-101.68	269.86	1.71	-99.97
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300025562353	0	33	-2.0	-102.18	307.77	3.83	-98.35
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300025563527	0	34	-2.0	-107.49	317.91	0.83	-106.66
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300025563555	1	32	-2.0	-109.31	291.06	1.72	-107.59
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300025563691	0	37	-2.0	-112.32	341.40	2.20	-110.12
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300025563692	0	34	-2.0	-107.25	328.23	1.29	-105.96
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300025563693	0	34	-2.0	-107.87	321.25	0.81	-107.06
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300025563858	0	34	-2.0	-109.96	311.50	0.77	-109.19
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C=NC2=C(Br)C=CC=C21	REAL300025563869	1	32	-2.0	-94.56	314.49	0.41	-94.15
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025563937	0	32	-2.0	-104.44	302.77	-3.96	-108.40
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300025564032	0	30	-2.0	-103.21	286.03	2.13	-101.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300025564034	0	32	-2.0	-95.31	299.99	-0.79	-96.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(I)C([O-])=C1	REAL300025564073	0	26	-2.0	-86.58	272.62	-1.34	-87.92
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(F)C(F)=CC=C2C1=O	REAL300025564083	0	32	-2.0	-81.02	301.48	1.37	-79.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300025564099	0	29	-2.0	-99.19	291.30	2.86	-96.33
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300025564118	1	32	-2.0	-115.42	289.35	1.56	-113.86
COC1=CC(OC)=C2C(=O)C(C(=O)NCCC3=NC(=O)O[N-]3)=C[N-]C2=C1	REAL300025564370	1	40	-2.0	-89.17	345.85	0.94	-88.23
N#CC1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C1=O	REAL300025564422	0	30	-2.0	-102.35	294.19	-3.31	-105.66
N#CC1=CN(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C1=O	REAL300025564425	0	33	-2.0	-92.16	315.22	-2.85	-95.01
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300025564428	1	34	-2.0	-110.80	304.60	0.56	-110.24
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025564478	0	33	-2.0	-89.33	312.16	-2.36	-91.69
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025564560	0	40	-2.0	-111.64	352.75	2.50	-109.14
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300025564563	0	33	-2.0	-102.81	300.25	1.29	-101.52
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300025564563	1	33	-2.0	-102.60	300.35	1.32	-101.28
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300025564564	0	30	-2.0	-79.02	286.46	-1.81	-80.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300025564564	1	30	-2.0	-78.98	286.53	-1.80	-80.78
CC1=CC(C)=NC(N2[N-]C(C(=O)NCCC3=NC(=O)O[N-]3)=C(CCO)C2=O)=N1	REAL300025564603	0	45	-2.0	-99.34	397.52	0.38	-98.96
O=C([N-]CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1)C(F)(F)F	REAL300025564749	0	33	-2.0	-78.35	326.42	-2.47	-80.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1[O-]	REAL300025564878	1	27	-2.0	-101.77	276.35	2.19	-99.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(F)=C1[O-]	REAL300025564894	0	27	-2.0	-99.59	276.08	1.78	-97.81
O=CC1=CC=C(C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C([O-])=C2)O1	REAL300025564920	0	36	-2.0	-123.50	332.13	3.23	-120.27
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)C(=O)[N-]C=N1	REAL300025564998	0	25	-2.0	-84.25	257.82	-2.14	-86.39
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC2=C1C(=O)N=C[N-]2	REAL300025565082	1	31	-2.0	-103.14	284.21	0.70	-102.44
O=C(NCCC1=NC(=O)O[N-]1)C1=NC=C(Br)C=C1[O-]	REAL300025565106	0	26	-2.0	-95.85	267.13	-0.01	-95.86
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NCCC3=NC(=O)O[N-]3)=C2)O1	REAL300025565256	1	36	-2.0	-111.13	332.24	3.24	-107.89
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025565282	0	31	-2.0	-84.40	318.21	-0.25	-84.65
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300025565299	0	27	-2.0	-95.72	281.32	2.13	-93.59
CC(C)CN1[N-]C(CC(=O)NCCC2=NC(=O)O[N-]2)=CC1=O	REAL300025565400	0	39	-2.0	-100.44	336.41	0.49	-99.95
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300025565458	0	33	-2.0	-87.61	305.89	1.10	-86.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300025565459	0	27	-2.0	-103.38	270.94	1.65	-101.73
COC(=O)C1=CC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)[N-]1	REAL300025565608	1	33	-2.0	-82.90	312.19	-0.21	-83.11
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC(F)=C(F)C=C2C1=O	REAL300025565622	0	32	-2.0	-76.93	301.77	1.34	-75.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2CCC2)[N-]C1=O	REAL300025565942	1	35	-2.0	-86.75	305.73	-0.41	-87.16
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300025565989	0	32	-2.0	-84.46	296.75	1.99	-82.47
O=C([N-]CCC1=NC(=O)O[N-]1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300025565993	0	26	-2.0	-87.36	276.31	-2.33	-89.69
O=C(NCCC1=NC(=O)O[N-]1)C1=C(Br)[N-]N=C1Br	REAL300025566025	1	23	-2.0	-80.89	266.86	-1.27	-82.16
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC(Cl)=C(Cl)C=C2C1=O	REAL300025566299	1	32	-2.0	-78.08	320.92	2.18	-75.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(C2CCOCC2)[N-]C1=O	REAL300025566406	1	39	-2.0	-86.39	332.23	-1.65	-88.04
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1	REAL300025566477	0	37	-2.0	-82.45	346.29	2.25	-80.20
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025566495	0	35	-2.0	-111.57	319.00	-2.97	-114.54
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=N1	REAL300025568508	0	29	-2.0	-114.12	287.84	-1.96	-116.08
O=C1N=C(CCNS(=O)(=O)C2=CC([O-])=CC(C(F)(F)F)=C2)[N-]O1	REAL300025568512	1	31	-2.0	-95.49	309.16	-1.65	-97.14
CS(=O)(=NS(=O)(=O)[N-]CCC1=NC(=O)O[N-]1)C1=CC=CC=C1F	REAL300025568528	1	34	-2.0	-123.28	325.70	-2.23	-125.51
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)[N-]O1	REAL300025568530	0	30	-2.0	-103.41	308.32	0.20	-103.21
CN1N=CC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL300025568531	1	30	-2.0	-97.55	295.07	-2.30	-99.85
CS(=O)(=NS(=O)(=O)NCCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025568546	0	40	-2.0	-126.11	348.37	-1.54	-127.65
CS(=O)(=NS(=O)(=O)[N-]CCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025568546	1	40	-2.0	-126.11	348.37	-1.54	-127.65
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)[N-]O1	REAL300025568547	0	32	-2.0	-103.48	323.49	0.58	-102.90
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)[N-]O1	REAL300025568547	1	32	-2.0	-103.48	323.49	0.58	-102.90
COC(=O)C1=CNN=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568555	0	30	-2.0	-115.97	291.72	-3.28	-119.25
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025568555	1	30	-2.0	-115.97	291.72	-3.28	-119.25
COC1=NSC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568562	0	27	-2.0	-99.73	278.03	-5.08	-104.81
COC1=NSC=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025568562	1	27	-2.0	-99.73	278.03	-5.08	-104.81
CC(C)(C)S(C)(=O)=NS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568569	0	36	-2.0	-127.25	324.29	-2.92	-130.17
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025568569	1	36	-2.0	-127.25	324.29	-2.92	-130.17
COC1=NSC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568588	0	27	-2.0	-92.47	279.98	-5.16	-97.63
COC1=NSC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1	REAL300025568588	1	27	-2.0	-92.47	279.98	-5.16	-97.63
COC1=CC=C(Br)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025568592	0	31	-2.0	-108.83	309.69	-0.71	-109.54
COC1=CC=C(Br)C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1F	REAL300025568592	1	31	-2.0	-108.83	309.69	-0.71	-109.54
O=C1N=C(CCNS(=O)(=O)C2=CC([N+](=O)[O-])=CN=C2Cl)[N-]O1	REAL300025568633	0	28	-2.0	-90.94	297.41	-1.58	-92.52
O=C1N=C(CC[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CN=C2Cl)[N-]O1	REAL300025568633	1	28	-2.0	-90.94	297.41	-1.58	-92.52
O=C1N=C(CCNS(=O)(=O)C2=CC=C(F)C(Br)=C2F)[N-]O1	REAL300025568641	0	27	-2.0	-96.96	292.51	-0.24	-97.20
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(F)C(Br)=C2F)[N-]O1	REAL300025568641	1	27	-2.0	-96.96	292.51	-0.24	-97.20
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=NN1	REAL300025568642	0	30	-2.0	-90.81	297.79	-3.84	-94.65
COC(=O)C1=N[N-]C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568642	1	30	-2.0	-90.83	297.89	-3.83	-94.66
COC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=N[N-]1	REAL300025568642	1	30	-2.0	-90.83	297.89	-3.83	-94.66
O=C1N=C(CCNS(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)[N-]O1	REAL300025568672	0	33	-2.0	-100.93	337.60	0.31	-100.62
O=C1N=C(CC[N-]S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)[N-]O1	REAL300025568672	1	33	-2.0	-100.93	337.60	0.31	-100.62
CC1=NC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)O1	REAL300025568677	0	36	-2.0	-109.57	335.06	-1.76	-111.33
CC1=NC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)O1	REAL300025568677	1	36	-2.0	-109.57	335.06	-1.76	-111.33
COC1=C(F)C=CC(F)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568681	0	31	-2.0	-105.36	300.80	-0.28	-105.64
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025568681	1	31	-2.0	-105.36	300.80	-0.28	-105.64
O=C1N=C(CCNS(=O)(=O)C2=CN=C(C3OCCO3)S2)[N-]O1	REAL300025568686	0	32	-2.0	-100.51	316.65	-4.19	-104.70
O=C1N=C(CC[N-]S(=O)(=O)C2=CN=C(C3OCCO3)S2)[N-]O1	REAL300025568686	1	32	-2.0	-100.51	316.65	-4.19	-104.70
O=C1N=C(CCNS(=O)(=O)C2=C(F)C=CC3=C2OCO3)[N-]O1	REAL300025568726	0	30	-2.0	-110.18	290.16	-1.73	-111.91
O=C1N=C(CC[N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)[N-]O1	REAL300025568726	1	30	-2.0	-110.18	290.16	-1.73	-111.91
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])[N-]O1	REAL300025568729	0	28	-2.0	-94.20	294.20	-0.90	-95.10
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Br)O2)[N-]O1	REAL300025568783	0	24	-2.0	-96.07	265.11	-2.23	-98.30
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(Br)O2)[N-]O1	REAL300025568783	1	24	-2.0	-96.07	265.11	-2.23	-98.30
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)N=N2)[N-]O1	REAL300025568795	0	25	-2.0	-97.71	268.52	-3.50	-101.21
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(Cl)N=N2)[N-]O1	REAL300025568795	1	25	-2.0	-97.71	268.52	-3.50	-101.21
O=C1N=C(CCNS(=O)(=O)CC(F)(F)CC2CC2)[N-]O1	REAL300025568805	0	33	-2.0	-103.48	308.39	0.07	-103.41
O=C1N=C(CC[N-]S(=O)(=O)CC(F)(F)CC2CC2)[N-]O1	REAL300025568805	1	33	-2.0	-103.48	308.39	0.07	-103.41
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C(F)(F)F)O2)[N-]O1	REAL300025568825	0	27	-2.0	-94.72	284.59	-1.74	-96.46
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)[N-]O1	REAL300025568825	1	27	-2.0	-94.72	284.59	-1.74	-96.46
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025568843	0	36	-2.0	-92.37	336.38	-2.86	-95.23
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025568843	1	36	-2.0	-92.37	336.38	-2.86	-95.23
O=C1N=C(CC[N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)[N-]O1	REAL300025568863	0	27	-2.0	-101.00	290.55	-0.04	-101.04
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)[N-]O1	REAL300025568864	0	29	-2.0	-95.79	301.75	-1.67	-97.46
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)[N-]O1	REAL300025568864	1	29	-2.0	-95.79	301.75	-1.67	-97.46
O=C1N=C(CCNS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)[N-]O1	REAL300025568867	0	29	-2.0	-95.79	301.75	-1.67	-97.46
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)[N-]O1	REAL300025568867	1	29	-2.0	-95.79	301.75	-1.67	-97.46
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568869	0	31	-2.0	-110.23	312.59	0.06	-110.17
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025568869	1	31	-2.0	-110.23	312.59	0.06	-110.17
O=C1N=C(CCNS(=O)(=O)C2=CC=C(F)C(Cl)=C2F)[N-]O1	REAL300025568872	0	27	-2.0	-96.91	288.25	-0.34	-97.25
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)[N-]O1	REAL300025568872	1	27	-2.0	-96.91	288.25	-0.34	-97.25
CCOC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=NN1	REAL300025568893	0	33	-2.0	-91.52	319.65	-2.92	-94.44
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568893	1	33	-2.0	-91.46	319.75	-2.91	-94.37
CCOC(=O)C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=N[N-]1	REAL300025568893	1	33	-2.0	-91.46	319.75	-2.91	-94.37
O=C1N=C(CCNS(=O)(=O)C2=CN=C(C3=CC=CC=C3)O2)[N-]O1	REAL300025568897	0	33	-2.0	-101.22	319.37	-2.43	-103.65
O=C1N=C(CC[N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)O2)[N-]O1	REAL300025568897	1	33	-2.0	-101.22	319.37	-2.43	-103.65
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568902	0	31	-2.0	-104.60	315.00	0.29	-104.31
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025568902	1	31	-2.0	-104.60	315.00	0.29	-104.31
COC1=CC(F)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025568904	0	31	-2.0	-106.02	298.73	-1.37	-107.39
COC1=CC(F)=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025568904	1	31	-2.0	-106.02	298.73	-1.37	-107.39
O=C1N=C(CCNS(=O)(=O)C2=CC(Cl)=C(Cl)S2)[N-]O1	REAL300025568911	0	24	-2.0	-91.48	285.81	-0.85	-92.33
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)[N-]O1	REAL300025568911	1	24	-2.0	-91.48	285.81	-0.85	-92.33
COC(=O)C1=CNN=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025568920	0	30	-2.0	-115.97	291.72	-3.28	-119.25
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025568920	1	30	-2.0	-115.97	291.72	-3.28	-119.25
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(=O)NC(=O)N1	REAL300025568922	0	30	-2.0	-104.38	283.41	-4.96	-109.34
CC1=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(=O)NC(=O)N1	REAL300025568922	1	30	-2.0	-104.38	283.41	-4.96	-109.34
O=C1N=C(CCNS(=O)(=O)C2=NC=CC=C2Cl)[N-]O1	REAL300025568960	0	26	-2.0	-107.50	268.40	-2.18	-109.68
O=C1N=C(CC[N-]S(=O)(=O)C2=NC=CC=C2Cl)[N-]O1	REAL300025568960	1	26	-2.0	-107.50	268.40	-2.18	-109.68
O=C1N=C(CCNS(=O)(=O)C2=NC=CC=C2C(F)(F)F)[N-]O1	REAL300025569003	0	29	-2.0	-108.92	283.76	-1.35	-110.27
O=C1N=C(CC[N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)[N-]O1	REAL300025569003	1	29	-2.0	-108.92	283.76	-1.35	-110.27
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025569023	0	33	-2.0	-102.88	328.48	1.20	-101.68
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025569023	1	33	-2.0	-102.88	328.48	1.20	-101.68
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025569024	0	33	-2.0	-119.35	313.42	0.66	-118.69
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025569024	1	33	-2.0	-119.35	313.42	0.66	-118.69
O=C1N=C(CNS(=O)(=O)C2=CC=C(F)C(F)=C2F)[N-]O1	REAL300025569058	0	24	-2.0	-100.34	257.69	-1.58	-101.92
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)[N-]O1	REAL300025569058	1	24	-2.0	-100.34	257.69	-1.58	-101.92
O=C1N=C(CNS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)[N-]O1	REAL300025569077	0	27	-2.0	-83.64	274.36	-1.37	-85.01
O=C1N=C(CNS(=O)(=O)C2=C(Cl)SC(Cl)=C2)[N-]O1	REAL300025569102	0	21	-2.0	-96.12	262.46	-1.60	-97.72
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)[N-]O1	REAL300025569102	1	21	-2.0	-96.12	262.46	-1.60	-97.72
CN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(=O)N(C)C1=O	REAL300025569110	0	30	-2.0	-109.49	286.17	-2.75	-112.24
CN1C=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C(=O)N(C)C1=O	REAL300025569110	1	30	-2.0	-109.49	286.17	-2.75	-112.24
CCOC(=O)C1=CNN=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569139	0	30	-2.0	-118.13	292.44	-3.17	-121.30
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025569139	1	30	-2.0	-118.13	292.44	-3.17	-121.30
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)[N-]O1	REAL300025569203	0	24	-2.0	-97.67	279.92	0.05	-97.62
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)[N-]O1	REAL300025569203	1	24	-2.0	-97.67	279.92	0.05	-97.62
O=C1N=C(CNS(=O)(=O)C2=C(Br)C=CS2)[N-]O1	REAL300025569220	0	21	-2.0	-101.07	251.90	-2.19	-103.26
O=C1N=C(C[N-]S(=O)(=O)C2=C(Br)C=CS2)[N-]O1	REAL300025569220	1	21	-2.0	-101.07	251.90	-2.19	-103.26
O=C1N=C(CNS(=O)(=O)C2=CC(Br)=CN=C2Cl)[N-]O1	REAL300025569222	0	23	-2.0	-97.05	269.20	-2.44	-99.49
O=C1N=C(C[N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)[N-]O1	REAL300025569222	1	23	-2.0	-97.05	269.20	-2.44	-99.49
O=C1N=C(CNS(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])[N-]O1	REAL300025569229	0	26	-2.0	-113.94	272.93	-0.36	-114.30
O=C1N=C(C[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])[N-]O1	REAL300025569229	1	26	-2.0	-113.94	272.93	-0.36	-114.30
O=C1N=C(CNS(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569236	0	26	-2.0	-109.08	279.43	0.46	-108.62
O=C1N=C(C[N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569236	1	26	-2.0	-109.08	279.43	0.46	-108.62
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569251	0	26	-2.0	-115.76	273.30	0.48	-115.28
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569251	1	26	-2.0	-115.76	273.30	0.48	-115.28
CS(=O)(=O)NC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569259	0	32	-2.0	-86.49	309.39	-4.53	-91.02
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569259	1	32	-2.0	-86.49	309.39	-4.53	-91.02
COC1=CC(F)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569276	0	28	-2.0	-107.65	277.58	-2.18	-109.83
COC1=CC(F)=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569276	1	28	-2.0	-107.65	277.58	-2.18	-109.83
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569284	0	26	-2.0	-109.33	274.86	0.36	-108.97
O=C1N=C(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569284	1	26	-2.0	-109.33	274.86	0.36	-108.97
O=C1N=C(CNS(=O)(=O)C2=CC(Br)=C(F)C=C2F)[N-]O1	REAL300025569301	0	24	-2.0	-96.71	272.08	-1.04	-97.75
O=C1N=C(C[N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)[N-]O1	REAL300025569301	1	24	-2.0	-96.71	272.08	-1.04	-97.75
O=C1N=C(CNS(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])[N-]O1	REAL300025569307	0	26	-2.0	-107.11	279.42	0.46	-106.65
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])[N-]O1	REAL300025569307	1	26	-2.0	-107.11	279.42	0.46	-106.65
COC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025569323	0	27	-2.0	-99.25	279.13	-2.97	-102.22
COC(=O)C1=CC=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)O1	REAL300025569323	1	27	-2.0	-99.25	279.13	-2.97	-102.22
O=C1N=C(CNS(=O)(=O)C2=CC(F)=C(F)C=C2F)[N-]O1	REAL300025569327	0	24	-2.0	-95.88	257.78	-1.58	-97.46
O=C1N=C(C[N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)[N-]O1	REAL300025569327	1	24	-2.0	-95.88	257.78	-1.58	-97.46
COC1=CC(F)=CC(F)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025569365	0	28	-2.0	-106.60	277.24	-1.29	-107.89
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025569365	1	28	-2.0	-106.60	277.24	-1.29	-107.89
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)[N-]O1	REAL300025569372	0	27	-2.0	-107.65	278.03	0.39	-107.26
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)[N-]O1	REAL300025569372	1	27	-2.0	-107.65	278.03	0.39	-107.26
CCOC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025569430	0	30	-2.0	-99.52	300.99	-2.04	-101.56
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)O1	REAL300025569430	1	30	-2.0	-99.52	300.99	-2.04	-101.56
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C=CN=C2Cl)[N-]O1	REAL300025569486	0	23	-2.0	-101.83	258.57	-2.32	-104.15
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)[N-]O1	REAL300025569486	1	23	-2.0	-101.83	258.57	-2.32	-104.15
COC(=O)C1=COC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025569500	0	27	-2.0	-103.44	279.48	-3.02	-106.46
COC(=O)C1=COC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C1	REAL300025569500	1	27	-2.0	-103.44	279.48	-3.02	-106.46
O=C1N=C(C[N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)[N-]O1	REAL300025569506	0	24	-2.0	-92.51	266.83	-1.28	-93.79
CCOC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570599	1	43	-2.0	-87.10	382.50	4.05	-83.05
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025570600	1	39	-2.0	-88.73	352.60	4.50	-84.23
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570601	1	39	-2.0	-89.02	352.83	4.50	-84.52
CCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025570622	0	35	-2.0	-76.58	323.27	2.33	-74.25
O=C(CCCCCN1C(=O)C2=CC=CC=C2[N-]C1=S)NCC1=NC(=O)O[N-]1	REAL300025570747	0	44	-2.0	-85.02	391.00	4.68	-80.34
CC1=CC=C([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)C=C1	REAL300025570802	1	41	-2.0	-89.68	371.08	1.66	-88.02
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1[O-]	REAL300025570833	1	24	-2.0	-89.48	247.69	1.22	-88.26
COCCCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025570914	0	42	-2.0	-78.46	378.44	2.14	-76.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=C(F)C=C2)C=C1	REAL300025570947	1	38	-2.0	-84.63	355.88	1.07	-83.56
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300025570950	1	38	-2.0	-91.44	349.49	1.01	-90.43
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300025570975	0	34	-2.0	-109.81	319.22	1.70	-108.11
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571024	1	33	-2.0	-90.12	328.08	3.79	-86.33
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571025	1	36	-2.0	-94.35	332.76	3.95	-90.40
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571026	1	37	-2.0	-92.66	340.80	2.57	-90.09
O=C(CCN1C(=S)[N-]N=C1C1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL300025571027	1	33	-2.0	-88.03	324.33	2.94	-85.09
COC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571120	1	40	-2.0	-87.41	360.65	3.13	-84.28
CC1=CC=C([N-]S(=O)(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2)C=C1	REAL300025571130	1	41	-2.0	-84.98	371.06	1.67	-83.31
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300025571131	1	38	-2.0	-84.32	349.66	1.00	-83.32
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C=C2)C=C1	REAL300025571133	1	38	-2.0	-78.82	356.09	1.07	-77.75
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=NO1	REAL300025571139	0	37	-2.0	-94.75	350.60	0.16	-94.59
CC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025571146	1	41	-2.0	-84.34	369.57	1.77	-82.57
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NCC1=NC(=O)O[N-]1	REAL300025571149	0	35	-2.0	-86.24	326.50	2.31	-83.93
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300025571184	1	38	-2.0	-90.04	349.66	1.00	-89.04
CC1=CC=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCC3=NC(=O)O[N-]3)=C2)=C1	REAL300025571215	1	41	-2.0	-90.07	371.08	1.67	-88.40
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=C(F)C=C2)=C1	REAL300025571216	1	38	-2.0	-83.11	356.11	1.05	-82.06
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025571284	1	36	-2.0	-94.61	332.78	3.94	-90.67
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NCC1=NC(=O)O[N-]1	REAL300025571285	1	30	-2.0	-92.53	303.94	2.43	-90.10
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300025571320	0	29	-2.0	-75.12	285.15	-0.31	-75.43
C=CCN1C(=O)C2=CC=C(C(=O)NCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025571343	0	36	-2.0	-77.27	336.54	2.89	-74.38
O=C(NCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300025571360	0	39	-2.0	-97.14	348.34	-0.28	-97.42
O=C(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl)NCC1=NC(=O)O[N-]1	REAL300025571367	1	31	-2.0	-93.89	322.26	-1.65	-95.54
CC1=C(CCC(=O)NCC2=NC(=O)O[N-]2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300025571406	1	44	-2.0	-90.45	368.17	0.98	-89.47
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300025571588	0	38	-2.0	-89.40	353.58	1.35	-88.05
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NCC1=NC(=O)O[N-]1	REAL300025571621	0	31	-2.0	-100.18	307.15	-2.68	-102.86
O=C(CC1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1)NCC1=NC(=O)O[N-]1	REAL300025571741	0	38	-2.0	-93.91	366.25	0.68	-93.23
O=C(CC1=CC=CS1)[N-]C1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025571755	1	36	-2.0	-88.17	352.79	0.65	-87.52
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300025571759	1	37	-2.0	-80.56	344.70	-0.75	-81.31
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025571769	1	37	-2.0	-87.25	336.83	-2.77	-90.02
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1	REAL300025571776	1	28	-2.0	-86.36	281.38	-5.18	-91.54
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1O	REAL300025571812	0	36	-2.0	-89.90	350.15	-1.46	-91.36
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1[O-]	REAL300025571812	1	35	-3.0	-190.87	346.60	-0.45	-191.32
COC1=CC=C2C(=O)C(C(=O)NCC3=NC(=O)O[N-]3)=C[N-]C2=C1	REAL300025571903	1	33	-2.0	-89.86	296.19	0.04	-89.82
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300025571939	0	35	-2.0	-88.48	341.60	-0.00	-88.48
CC(C)C(=O)[N-]C1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025571965	1	35	-2.0	-87.89	323.14	-0.78	-88.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(NC(=O)C2=CC(F)=CC(F)=C2)C=C1[O-]	REAL300025572154	1	38	-2.0	-104.80	350.86	2.76	-102.04
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1[O-]	REAL300025572182	1	24	-2.0	-89.83	247.68	1.22	-88.61
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC=C(Br)C=C2C1=O	REAL300025572187	1	29	-2.0	-86.73	288.20	1.34	-85.39
CN1C2=NC(CCC(=O)NCC3=NC(=O)O[N-]3)=NC2=C([O-])NC1=O	REAL300025572198	0	35	-2.0	-80.71	319.49	-2.92	-83.63
CN1C2=C(N=C(CCC(=O)NCC3=NC(=O)O[N-]3)[N-]2)C(=O)NC1=O	REAL300025572198	1	35	-2.0	-78.83	319.63	-2.18	-81.01
CN1C2=C([N-]C(CCC(=O)NCC3=NC(=O)O[N-]3)=N2)C(=O)NC1=O	REAL300025572198	1	35	-2.0	-78.97	319.32	-2.27	-81.24
CC1=NC2=CC(=O)[N-]N2C(C)=C1CCC(=O)NCC1=NC(=O)O[N-]1	REAL300025572259	1	38	-2.0	-92.68	329.89	-0.28	-92.96
CN1C=C([N-]S(=O)(=O)C2=C(C(=O)NCC3=NC(=O)O[N-]3)SC=C2)C=N1	REAL300025572297	0	35	-2.0	-97.94	341.44	-1.08	-99.02
O=C(NCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300025572374	1	44	-2.0	-110.29	370.90	4.50	-105.79
CC1=CC=C([N-]S(=O)(=O)C2=C(C(=O)NCC3=NC(=O)O[N-]3)SC=C2)C=C1	REAL300025572377	0	38	-2.0	-98.40	356.86	1.86	-96.54
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NCC1=NC(=O)O[N-]1	REAL300025572471	1	35	-2.0	-95.62	309.13	-1.07	-96.69
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1[O-]	REAL300025572486	0	24	-2.0	-90.29	246.81	1.24	-89.05
O=C(CC1(CC(=O)NCC2=NC(=O)O[N-]2)CCCCC1)[N-]C1=NC=CS1	REAL300025572487	1	45	-2.0	-88.42	362.57	1.64	-86.78
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12	REAL300025572512	0	32	-2.0	-81.13	307.09	0.63	-80.50
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300025572561	0	31	-2.0	-109.10	293.82	0.43	-108.67
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NC(=O)O[N-]2)C=C1	REAL300025572580	0	29	-2.0	-78.90	277.77	-1.27	-80.17
CC1=CC(F)=CC2=C1[N-]C=C(C(=O)NCC1=NC(=O)O[N-]1)C2=O	REAL300025572676	1	32	-2.0	-88.40	293.30	1.66	-86.74
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(OC(F)(F)F)C=CC=C2C1=O	REAL300025572695	0	33	-2.0	-86.53	312.59	0.61	-85.92
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025572724	0	40	-2.0	-105.11	349.52	2.20	-102.91
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C([O-])=C1	REAL300025572785	1	41	-2.0	-103.33	348.35	0.84	-102.49
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025572840	0	40	-2.0	-102.91	349.51	2.20	-100.71
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(Cl)=C1[O-]	REAL300025572842	0	24	-2.0	-85.57	263.71	1.74	-83.83
O=C(NCC1=NC(=O)O[N-]1)C1=C([O-])C=C(Cl)C=C1Cl	REAL300025572850	0	24	-2.0	-88.21	264.51	-0.18	-88.39
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1O	REAL300025572863	0	36	-2.0	-90.47	350.44	-1.46	-91.93
O=C(NCC1=NC(=O)O[N-]1)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1[O-]	REAL300025572863	1	35	-3.0	-179.40	346.88	-0.46	-179.86
O=C(NCC1=NC(=O)O[N-]1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300025572864	0	30	-2.0	-93.79	285.59	3.35	-90.44
O=C(NCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300025572910	0	34	-2.0	-92.72	316.52	4.56	-88.16
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300025572920	0	31	-2.0	-98.47	295.73	0.35	-98.12
CC(C)(C)C(=O)[N-]C1=NC(CC(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025572936	1	38	-2.0	-88.54	343.01	-0.22	-88.76
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300025572948	0	39	-2.0	-91.07	353.71	-2.79	-93.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Br)=C1[O-]	REAL300025572953	0	24	-2.0	-85.06	263.53	1.75	-83.31
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025572987	0	37	-2.0	-103.72	323.43	2.08	-101.64
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=NC(=O)O[N-]2)=N1	REAL300025573000	0	34	-2.0	-99.20	317.05	1.31	-97.89
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1	REAL300025573145	0	34	-2.0	-83.59	338.19	-0.81	-84.40
O=C(NC1=CC=C([O-])C(C(=O)NCC2=NC(=O)O[N-]2)=C1)OCC(F)(F)F	REAL300025573160	1	35	-2.0	-92.74	334.77	0.19	-92.55
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025573164	0	40	-2.0	-87.79	362.05	-0.08	-87.87
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=C([O-])C(Br)=C1	REAL300025573240	0	24	-2.0	-76.59	269.32	0.33	-76.26
C[N-]S(=O)(=O)C1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CO1	REAL300025573264	1	28	-2.0	-81.66	280.51	-5.20	-86.86
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(Br)C([O-])=C1	REAL300025573346	1	24	-2.0	-86.35	248.97	-0.38	-86.73
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025573353	0	37	-2.0	-87.78	343.13	-0.85	-88.63
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300025573381	0	31	-2.0	-74.41	311.20	-1.56	-75.97
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=C(F)C=CC=C1F	REAL300025573460	1	26	-2.0	-111.75	262.88	0.03	-111.72
COC1=CC(OC)=C2C(=O)C(C(=O)NCC3=NC(=O)O[N-]3)=C[N-]C2=C1	REAL300025574580	1	37	-2.0	-94.01	323.67	0.45	-93.56
O=C(NCC1=NC(=O)O[N-]1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300025574607	1	31	-2.0	-99.45	282.42	0.08	-99.37
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)C=N1	REAL300025574644	0	30	-2.0	-88.73	289.98	-2.86	-91.59
O=C([N-]CC1=CC=C(C(=O)NCC2=NC(=O)O[N-]2)O1)C(F)(F)F	REAL300025574816	0	30	-2.0	-80.21	304.25	-2.97	-83.18
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1[O-]	REAL300025574895	1	24	-2.0	-90.19	254.17	1.70	-88.49
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(F)=C1[O-]	REAL300025574904	0	24	-2.0	-88.42	253.90	1.29	-87.13
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL300025574985	1	26	-2.0	-95.87	266.84	0.15	-95.72
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300025575114	0	24	-2.0	-85.65	259.14	1.64	-84.01
COC1=CC(C(=O)NCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300025575232	0	30	-2.0	-85.94	283.71	0.61	-85.33
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=NC(=O)O[N-]3)O2)[N-]1	REAL300025575335	1	30	-2.0	-82.20	290.01	-0.71	-82.91
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC(F)=C(F)C=C2C1=O	REAL300025575342	0	29	-2.0	-80.85	279.58	0.85	-80.00
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC=C(F)C=C1F	REAL300025575697	1	26	-2.0	-102.11	265.02	0.07	-102.04
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC(Cl)=C(Cl)C=C2C1=O	REAL300025575820	1	29	-2.0	-82.07	298.74	1.69	-80.38
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(=O)C=C1[O-]	REAL300025575913	0	33	-2.0	-91.27	307.10	1.11	-90.16
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C([O-])=CC1=O	REAL300025575913	1	33	-2.0	-89.00	307.18	1.16	-87.84
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC(F)=CC=C1F	REAL300025576534	0	26	-2.0	-103.96	265.02	0.07	-103.89
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC(F)=CC=C1F	REAL300025576534	1	26	-2.0	-103.96	265.02	0.07	-103.89
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(F)=C1F	REAL300025576535	0	26	-2.0	-108.73	264.91	0.07	-108.66
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC=CC(F)=C1F	REAL300025576535	1	26	-2.0	-108.73	264.91	0.07	-108.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300025576623	0	38	-2.0	-95.22	363.59	0.50	-94.72
CC1=CC=C(C2=NNC(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576753	0	42	-2.0	-92.88	374.78	4.99	-87.89
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025576753	1	42	-2.0	-92.88	374.78	4.99	-87.89
CC1=CC=CC(C2=NNC(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576754	0	42	-2.0	-92.85	375.00	4.99	-87.86
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025576754	1	42	-2.0	-92.85	375.00	4.99	-87.86
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1O	REAL300025576991	0	27	-2.0	-99.16	269.87	1.71	-97.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC=C1[O-]	REAL300025576991	1	27	-2.0	-99.16	269.87	1.71	-97.45
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C=C1	REAL300025577105	0	41	-2.0	-92.26	371.66	1.49	-90.77
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300025577105	1	41	-2.0	-92.26	371.66	1.49	-90.77
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300025577131	0	37	-2.0	-112.32	341.40	2.20	-110.12
O=C(CN1C(=S)NN=C1C1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577177	0	36	-2.0	-101.09	349.90	4.27	-96.82
O=C(CN1C(=S)[N-]N=C1C1=CC=C(Cl)C=C1)NCCC1=NC(=O)O[N-]1	REAL300025577177	1	36	-2.0	-101.09	349.90	4.27	-96.82
CC1=CC=C(C2=NNC(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577178	0	39	-2.0	-105.36	354.57	4.43	-100.93
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577178	1	39	-2.0	-105.36	354.57	4.43	-100.93
CCCC1=NNC(=S)N1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577179	0	35	-2.0	-103.29	324.53	2.80	-100.49
CCCC1=N[N-]C(=S)N1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025577179	1	35	-2.0	-103.29	324.53	2.80	-100.49
COC1=CC=C(C2=NNC(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577180	0	40	-2.0	-104.69	362.61	3.06	-101.63
COC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577180	1	40	-2.0	-104.69	362.61	3.06	-101.63
O=C(CCN1C(=S)NN=C1C1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL300025577181	0	36	-2.0	-93.02	346.50	3.43	-89.59
O=C(CCN1C(=S)[N-]N=C1C1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL300025577181	1	36	-2.0	-93.02	346.50	3.43	-89.59
COC1=CC=C(C2=NNC(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577279	0	43	-2.0	-91.65	382.84	3.62	-88.03
COC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025577279	1	43	-2.0	-91.65	382.84	3.62	-88.03
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)NC2=CC=CC=C2)C=C1	REAL300025577289	0	41	-2.0	-90.39	371.84	1.49	-88.90
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1	REAL300025577289	1	41	-2.0	-90.39	371.84	1.49	-88.90
CC1=CC([N-]S(=O)(=O)C2=CC=CC(C(=O)NCCC3=NC(=O)O[N-]3)=C2)=NO1	REAL300025577294	0	40	-2.0	-109.15	372.78	0.64	-108.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(NS(=O)(=O)C2=CC=CC=C2)=C1	REAL300025577340	0	41	-2.0	-98.84	371.84	1.49	-97.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300025577340	1	41	-2.0	-98.84	371.84	1.49	-97.35
CC1=CC=CC(C2=NNC(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577447	0	39	-2.0	-105.68	354.60	4.42	-101.26
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025577447	1	39	-2.0	-105.68	354.60	4.42	-101.26
O=C(CN1C(=S)NN=C1C1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL300025577448	0	33	-2.0	-103.15	326.12	2.92	-100.23
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NCCC1=NC(=O)O[N-]1	REAL300025577448	1	33	-2.0	-103.15	326.12	2.92	-100.23
C=CCN1C(=O)C2=CC=C(C(=O)NCCC3=NC(=O)O[N-]3)C=C2[N-]C1=S	REAL300025577510	0	39	-2.0	-88.24	358.71	3.39	-84.85
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300025577525	0	42	-2.0	-104.39	370.52	0.21	-104.18
O=C(C[N-]S(=O)(=O)C1=C(Cl)C=CC=C1Cl)NCCC1=NC(=O)O[N-]1	REAL300025577532	1	34	-2.0	-98.30	344.44	-1.16	-99.46
CC1=C(CCC(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C(N2CCOCC2)=N1	REAL300025577573	1	47	-2.0	-95.70	390.35	1.47	-94.23
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NCCC1=NC(=O)O[N-]1	REAL300025577798	0	34	-2.0	-104.54	329.33	-2.19	-106.73
O=C(CC1=CC=CS1)[N-]C1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025577943	1	39	-2.0	-100.77	374.97	1.14	-99.63
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1	REAL300025577948	1	40	-2.0	-86.89	366.88	-0.27	-87.16
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025577958	1	40	-2.0	-82.69	357.18	-2.15	-84.84
C[N-]S(=O)(=O)C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025577965	1	31	-2.0	-82.51	303.56	-4.69	-87.20
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300025578132	0	38	-2.0	-97.29	363.78	0.50	-96.79
CC(C)C(=O)[N-]C1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025578159	1	38	-2.0	-100.35	345.32	-0.29	-100.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C=C1[O-]	REAL300025578399	1	27	-2.0	-101.68	269.86	1.71	-99.97
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC=C(Br)C=C2C1=O	REAL300025578404	1	32	-2.0	-82.01	310.38	1.83	-80.18
CN1C2=NC(CCC(=O)NCCC3=NC(=O)O[N-]3)=NC2=C([O-])NC1=O	REAL300025578418	0	38	-2.0	-84.20	341.67	-2.43	-86.63
CN1C2=C(N=C(CCC(=O)NCCC3=NC(=O)O[N-]3)[N-]2)C(=O)NC1=O	REAL300025578418	1	38	-2.0	-84.60	341.81	-1.69	-86.29
CN1C2=C([N-]C(CCC(=O)NCCC3=NC(=O)O[N-]3)=N2)C(=O)NC1=O	REAL300025578418	1	38	-2.0	-84.75	341.51	-1.78	-86.53
CC1=NC2=CC(=O)[N-]N2C(C)=C1CCC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578493	1	41	-2.0	-98.71	352.06	0.20	-98.51
CN1C=C([N-]S(=O)(=O)C2=C(C(=O)NCCC3=NC(=O)O[N-]3)SC=C2)C=N1	REAL300025578532	0	38	-2.0	-112.51	363.62	-0.59	-113.10
O=C(NCCC1=NC(=O)O[N-]1)C1CCCN1C(=O)C1=C([O-])C2=CC=CC=C2C=C1	REAL300025578618	1	47	-2.0	-129.13	391.05	3.79	-125.34
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NCCC1=NC(=O)O[N-]1	REAL300025578731	1	38	-2.0	-110.21	331.31	-0.58	-110.79
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(Br)=C1[O-]	REAL300025578748	0	27	-2.0	-101.92	268.99	1.73	-100.19
O=C(CC1(CC(=O)NCCC2=NC(=O)O[N-]2)CCCCC1)[N-]C1=NC=CS1	REAL300025578749	1	48	-2.0	-92.15	384.75	2.13	-90.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12	REAL300025578778	0	35	-2.0	-92.79	329.30	1.12	-91.67
O=C(NCCC1=NC(=O)O[N-]1)C1=N[N-]C2=CC=CC=C2C1=O	REAL300025578829	0	31	-2.0	-95.10	287.31	1.28	-93.82
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300025578833	0	34	-2.0	-113.01	316.00	0.92	-112.09
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NC(=O)O[N-]2)C=C1	REAL300025578853	0	32	-2.0	-85.00	299.95	-0.76	-85.76
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=CC(Cl)=C1[O-]	REAL300025578952	0	27	-2.0	-94.85	271.00	1.68	-93.17
CC1=CC(F)=CC2=C1[N-]C=C(C(=O)NCCC1=NC(=O)O[N-]1)C2=O	REAL300025578958	1	35	-2.0	-82.94	315.47	2.15	-80.79
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(OC(F)(F)F)C=CC=C2C1=O	REAL300025578980	0	36	-2.0	-83.66	334.77	1.10	-82.56
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025579016	0	43	-2.0	-109.90	371.76	2.69	-107.21
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C([O-])=C1	REAL300025579091	1	44	-2.0	-116.74	370.53	1.34	-115.40
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCCC3=NC(=O)O[N-]3)=N2)C=C1	REAL300025579149	0	43	-2.0	-108.95	371.69	2.69	-106.26
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(Cl)=C1[O-]	REAL300025579151	0	27	-2.0	-95.64	285.89	2.23	-93.41
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C=C(Cl)C=C1Cl	REAL300025579159	0	27	-2.0	-91.14	286.69	0.32	-90.82
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300025579174	0	33	-2.0	-102.18	307.77	3.83	-98.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(C2=CC=CC=C2)=CC(Cl)=C1[O-]	REAL300025579228	0	37	-2.0	-102.45	338.70	5.05	-97.40
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300025579240	0	34	-2.0	-105.23	317.91	0.83	-104.40
CC(C)(C)C(=O)[N-]C1=NC(CC(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025579257	1	41	-2.0	-100.91	365.18	0.27	-100.64
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300025579269	0	42	-2.0	-103.16	375.89	-2.30	-105.46
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Br)=C1[O-]	REAL300025579277	0	27	-2.0	-94.94	285.71	2.24	-92.70
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025579318	0	40	-2.0	-111.64	352.75	2.50	-109.14
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025579336	0	37	-2.0	-106.23	339.25	1.79	-104.44
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1	REAL300025579504	0	37	-2.0	-89.95	360.37	-0.32	-90.27
O=C(NC1=CC=C([O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=C1)OCC(F)(F)F	REAL300025579519	1	38	-2.0	-105.12	357.25	0.68	-104.44
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025579524	0	43	-2.0	-92.35	384.23	0.41	-91.94
C[N-]S(=O)(=O)C1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CO1	REAL300025579643	1	31	-2.0	-92.64	302.69	-4.71	-97.35
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Br)C([O-])=C1	REAL300025579737	1	27	-2.0	-83.38	271.15	0.11	-83.27
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025579745	0	40	-2.0	-92.28	365.31	-0.36	-92.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300025579776	0	34	-2.0	-83.97	333.38	-1.08	-85.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C([O-])=C1	REAL300025579986	1	27	-2.0	-82.18	277.42	0.59	-81.59
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025579994	0	38	-2.0	-104.08	344.13	-0.92	-105.00
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580011	0	35	-2.0	-86.42	315.47	-1.66	-88.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(I)=C1[O-]	REAL300025580013	0	27	-2.0	-99.51	275.27	2.20	-97.31
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C1=O	REAL300025580069	1	43	-2.0	-86.74	378.54	4.10	-82.64
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580093	0	32	-2.0	-78.16	296.01	-2.65	-80.81
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C=NC2=CC=C(Br)C=C21	REAL300025580125	1	32	-2.0	-93.86	315.31	0.28	-93.58
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(F)C=C(F)C=C2C1=O	REAL300025580205	0	32	-2.0	-79.80	301.70	1.39	-78.41
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025580249	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	REAL300025580250	0	27	-2.0	-85.19	272.93	0.11	-85.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300025580287	1	29	-2.0	-97.22	283.76	2.34	-94.88
O=C(CCC(=O)NCCC1=NC(=O)O[N-]1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300025580379	0	47	-2.0	-92.70	406.95	1.54	-91.16
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1[O-]	REAL300025580384	0	36	-2.0	-117.71	356.61	2.33	-115.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300025580598	0	29	-2.0	-91.67	283.80	-1.15	-92.82
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300025580602	0	34	-2.0	-107.49	317.91	0.83	-106.66
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C=NC2=CC=C(Cl)C=C21	REAL300025580615	1	32	-2.0	-94.66	311.44	0.20	-94.46
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C=NC2=C(Br)C=CC=C21	REAL300025580853	1	32	-2.0	-94.56	314.49	0.41	-94.15
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300025580987	0	30	-2.0	-103.21	286.03	2.13	-101.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300025580988	0	32	-2.0	-95.31	299.99	-0.79	-96.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CN=C(I)C([O-])=C1	REAL300025581013	0	26	-2.0	-86.58	272.62	-1.34	-87.92
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(F)C(F)=CC=C2C1=O	REAL300025581022	0	32	-2.0	-81.02	301.48	1.37	-79.65
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(F)C=CC(F)=C2C1=O	REAL300025581024	0	32	-2.0	-85.76	299.92	1.38	-84.38
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300025581033	0	29	-2.0	-99.19	291.30	2.86	-96.33
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300025581250	0	30	-2.0	-79.02	286.46	-1.81	-80.83
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300025581250	1	30	-2.0	-78.98	286.53	-1.80	-80.78
COC1=CC(OC)=C2C(=O)C(C(=O)NCCC3=NC(=O)O[N-]3)=C[N-]C2=C1	REAL300025581265	1	40	-2.0	-89.17	345.85	0.94	-88.23
O=C(NCCC1=NC(=O)O[N-]1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300025581295	1	34	-2.0	-110.80	304.60	0.56	-110.24
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)C=N1	REAL300025581341	0	33	-2.0	-89.33	312.16	-2.36	-91.69
N#CC1=CN(CC(=O)NCCC2=NC(=O)O[N-]2)C(=O)[N-]C1=O	REAL300025581400	0	30	-2.0	-102.35	294.19	-3.31	-105.66
O=C([N-]CC1=CC=C(C(=O)NCCC2=NC(=O)O[N-]2)O1)C(F)(F)F	REAL300025581540	0	33	-2.0	-78.35	326.42	-2.47	-80.82
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C=C1[O-]	REAL300025581637	1	27	-2.0	-101.77	276.35	2.19	-99.58
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Br)=CC(F)=C1[O-]	REAL300025581652	0	27	-2.0	-99.59	276.08	1.78	-97.81
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300025581899	0	27	-2.0	-95.72	281.32	2.13	-93.59
COC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300025582033	0	33	-2.0	-87.61	305.89	1.10	-86.51
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300025582034	0	27	-2.0	-103.38	270.94	1.65	-101.73
COC(=O)C1=CC2=C(C=C(C(=O)NCCC3=NC(=O)O[N-]3)O2)[N-]1	REAL300025582156	1	33	-2.0	-82.90	312.19	-0.21	-83.11
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC(F)=C(F)C=C2C1=O	REAL300025582169	0	32	-2.0	-76.93	301.77	1.34	-75.59
CC1=CC(C(=O)NCCC2=NC(=O)O[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300025582464	0	32	-2.0	-84.46	296.75	1.99	-82.47
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC(Cl)=C(Cl)C=C2C1=O	REAL300025582703	1	32	-2.0	-78.08	320.92	2.18	-75.90
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C(=O)C=C1[O-]	REAL300025582811	0	36	-2.0	-99.12	329.28	1.58	-97.54
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C([O-])=CC1=O	REAL300025582811	1	36	-2.0	-95.59	329.37	1.64	-93.95
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300025583155	0	27	-2.0	-94.94	271.13	1.66	-93.28
CCN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583567	0	34	-2.0	-95.23	319.47	0.20	-95.03
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583568	0	39	-2.0	-107.73	345.30	2.08	-105.65
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583569	0	40	-2.0	-109.70	347.02	2.68	-107.02
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583570	0	37	-2.0	-110.42	334.36	1.90	-108.52
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583571	0	30	-2.0	-89.50	293.04	0.06	-89.44
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025583572	0	30	-2.0	-108.60	303.94	0.38	-108.22
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583573	0	30	-2.0	-94.04	291.44	-0.01	-94.05
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583574	0	33	-2.0	-93.54	307.48	0.53	-93.01
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583575	0	30	-2.0	-95.97	291.43	-0.00	-95.97
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1C	REAL300025583576	0	36	-2.0	-110.22	322.98	1.42	-108.80
O=C([O-])CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025583577	0	30	-2.0	-95.22	306.03	-0.06	-95.28
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583578	0	33	-2.0	-108.74	306.07	0.89	-107.85
O=C([O-])C1=CSC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583579	0	27	-2.0	-92.70	284.62	-0.98	-93.68
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583580	0	36	-2.0	-107.82	322.79	1.77	-106.05
CN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583581	0	31	-2.0	-94.64	298.08	-0.67	-95.31
CC1=C(C(=O)[O-])SC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583582	0	30	-2.0	-99.20	300.56	-0.32	-99.52
CC1=C(C(=O)[O-])C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(C)O1	REAL300025583583	0	33	-2.0	-117.82	305.85	0.36	-117.46
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(Cl)C=C1F	REAL300025583584	0	30	-2.0	-89.47	297.55	0.08	-89.39
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583585	0	33	-2.0	-94.91	301.38	0.66	-94.25
CCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583586	0	36	-2.0	-111.59	325.67	1.18	-110.41
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1C(=O)[O-]	REAL300025583587	0	33	-2.0	-96.01	307.45	0.53	-95.48
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025583588	0	30	-2.0	-91.93	307.82	0.74	-91.19
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025583589	0	33	-2.0	-93.00	321.56	0.80	-92.20
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C(C(=O)[O-])S1	REAL300025583590	0	30	-2.0	-106.34	299.92	-0.05	-106.39
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583591	0	33	-2.0	-101.53	311.24	0.94	-100.59
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025583592	0	30	-2.0	-107.68	307.68	0.48	-107.20
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583593	0	37	-2.0	-92.65	347.89	-1.42	-94.07
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583594	0	38	-2.0	-92.00	343.30	1.12	-90.88
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583595	0	37	-2.0	-92.47	334.12	0.60	-91.87
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1CC(=O)[O-]	REAL300025583596	0	37	-2.0	-98.37	341.91	0.12	-98.25
CC1=CC(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583597	0	36	-2.0	-109.07	322.36	1.43	-107.64
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583598	0	34	-2.0	-109.48	314.85	-1.06	-110.54
COC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(C(=O)[O-])=C1OC	REAL300025583599	0	38	-2.0	-112.79	349.75	-0.20	-112.99
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025583600	0	41	-2.0	-90.22	368.28	1.05	-89.17
CCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583601	0	37	-2.0	-99.67	340.57	0.97	-98.70
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(Br)S1	REAL300025583602	0	27	-2.0	-88.46	289.44	-0.71	-89.17
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CS1	REAL300025583603	0	27	-2.0	-93.52	283.09	-0.99	-94.51
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C(C(=O)[O-])O1	REAL300025583604	0	30	-2.0	-104.28	296.19	-0.91	-105.19
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC2=C1OCCO2	REAL300025583605	0	36	-2.0	-99.53	333.60	-0.24	-99.77
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025583606	0	40	-2.0	-93.51	371.19	1.24	-92.27
O=C([O-])COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025583607	0	34	-2.0	-92.84	338.54	0.81	-92.03
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCC(=O)[O-]	REAL300025583608	0	37	-2.0	-93.68	342.60	0.98	-92.70
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OCCCC(=O)[O-]	REAL300025583609	0	43	-2.0	-93.73	385.04	1.91	-91.82
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1Cl	REAL300025583610	0	30	-2.0	-102.39	319.12	0.84	-101.55
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583611	0	30	-2.0	-86.74	308.21	0.51	-86.23
O=C([O-])C1=CC(Br)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025583612	0	27	-2.0	-92.88	299.74	-0.47	-93.35
CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1C(=O)[O-]	REAL300025583613	0	36	-2.0	-99.37	325.24	1.39	-97.98
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583614	0	33	-2.0	-97.63	306.06	0.90	-96.73
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583615	0	30	-2.0	-90.05	312.73	0.60	-89.45
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583616	0	30	-2.0	-90.00	297.84	0.06	-89.94
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025583617	0	30	-2.0	-93.71	293.03	0.04	-93.67
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025583618	0	30	-2.0	-99.02	295.97	0.03	-98.99
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583619	0	33	-2.0	-102.38	319.95	1.31	-101.07
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(Cl)=C1F	REAL300025583620	0	30	-2.0	-105.08	312.16	0.52	-104.56
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(F)=C1Cl	REAL300025583621	0	30	-2.0	-101.91	309.81	0.43	-101.48
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025583622	0	33	-2.0	-90.75	309.94	0.38	-90.37
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(Cl)C=C1Cl	REAL300025583623	0	30	-2.0	-87.14	305.53	0.43	-86.71
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583624	0	34	-2.0	-92.00	311.82	-0.18	-92.18
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1O	REAL300025583625	0	31	-2.0	-95.64	300.25	-1.96	-97.60
O=C([O-])C=CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583626	0	34	-2.0	-97.04	322.89	1.28	-95.76
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583627	0	30	-2.0	-100.07	307.84	0.75	-99.32
O=C([O-])CCC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583628	0	36	-2.0	-92.79	335.00	1.58	-91.21
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583629	0	30	-2.0	-90.54	289.66	-0.25	-90.79
O=C([O-])CC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583630	0	33	-2.0	-93.84	313.60	0.77	-93.07
COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583631	0	34	-2.0	-117.63	318.73	0.06	-117.57
O=C([O-])COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583632	0	34	-2.0	-94.07	322.51	0.27	-93.80
O=C([O-])COC1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1F	REAL300025583633	0	34	-2.0	-94.36	328.73	0.34	-94.02
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025583634	0	30	-2.0	-95.49	289.65	-0.24	-95.73
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025583635	0	30	-2.0	-95.20	303.94	0.39	-94.81
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583636	0	33	-2.0	-118.00	309.31	0.39	-117.61
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1	REAL300025583637	0	38	-2.0	-94.60	355.18	1.40	-93.20
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583638	0	30	-2.0	-87.74	295.95	-0.19	-87.93
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1	REAL300025583638	1	29	-3.0	-159.59	300.95	-0.27	-159.86
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(C(=O)[O-])=C1C	REAL300025583639	0	36	-2.0	-114.24	328.24	1.16	-113.08
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583640	0	32	-2.0	-88.21	319.63	0.66	-87.55
COC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(Cl)C=C1C(=O)[O-]	REAL300025583641	0	34	-2.0	-98.92	320.29	0.10	-98.82
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1Br	REAL300025583642	0	30	-2.0	-94.29	307.68	0.49	-93.80
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(C(=O)[O-])=C1F	REAL300025583643	0	33	-2.0	-95.19	316.27	0.64	-94.55
CC1=CC(F)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583644	0	33	-2.0	-90.18	305.73	0.28	-89.90
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1Cl	REAL300025583645	0	33	-2.0	-89.85	311.74	0.63	-89.22
CC1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(C(=O)[O-])=C1Cl	REAL300025583646	0	33	-2.0	-92.39	322.66	0.95	-91.44
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583647	0	33	-2.0	-90.66	317.39	1.26	-89.40
COC1=CC(Cl)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583648	0	34	-2.0	-94.25	320.28	0.11	-94.14
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(OC(F)(F)F)=C1	REAL300025583649	0	34	-2.0	-94.37	328.32	0.34	-94.03
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=C1	REAL300025583650	0	32	-2.0	-88.93	308.88	1.50	-87.43
O=C([O-])C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025583651	0	27	-2.0	-98.29	283.71	-0.88	-99.17
O=C([O-])CC1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583652	0	33	-2.0	-93.19	313.61	0.76	-92.43
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025583653	0	32	-2.0	-118.47	318.02	1.08	-117.39
CC1=CC(C)=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C)=C1CC(=O)[O-]	REAL300025583654	0	42	-2.0	-96.07	352.78	2.65	-93.42
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL300025583655	0	32	-2.0	-99.07	314.89	1.78	-97.29
CC(C)(C)C1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C(C(=O)[O-])S1	REAL300025583656	0	39	-2.0	-102.62	341.42	1.75	-100.87
CC1=C(Cl)C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583657	0	33	-2.0	-105.66	325.18	1.06	-104.60
CC1=C(F)C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583658	0	33	-2.0	-104.70	316.38	0.67	-104.03
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC2=CC=CC=C21	REAL300025583659	0	36	-2.0	-119.05	332.48	2.12	-116.93
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(F)C(F)=C1F	REAL300025583660	0	30	-2.0	-88.22	300.38	-0.17	-88.39
O=C([O-])C1=CC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C(F)C(F)=C1F	REAL300025583660	1	29	-3.0	-155.79	305.34	-0.25	-156.04
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1OC	REAL300025583661	0	41	-2.0	-97.57	370.90	0.61	-96.96
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583662	0	34	-2.0	-92.89	311.88	-0.17	-93.06
O=C([O-])C1=CC=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025583663	0	30	-2.0	-117.96	287.78	-0.29	-118.25
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(C(=O)[O-])=C1	REAL300025583664	0	32	-3.0	-174.72	319.84	0.55	-174.17
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583665	0	34	-2.0	-112.82	312.61	-1.01	-113.83
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583666	0	30	-3.0	-172.33	289.84	-1.38	-173.71
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583666	1	31	-2.0	-104.90	300.88	-2.28	-107.18
O=C([O-])C1=CC=NC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025583667	0	29	-2.0	-92.28	287.64	-1.89	-94.17
CC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(C(=O)[O-])=NN1	REAL300025583668	0	30	-2.0	-98.30	284.36	-2.11	-100.41
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583669	0	33	-2.0	-109.55	310.61	0.93	-108.62
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C(Cl)O1	REAL300025583670	0	27	-2.0	-89.84	282.98	-1.41	-91.25
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC=C1OC(F)(F)F	REAL300025583671	0	34	-2.0	-108.86	335.23	0.54	-108.32
O=C([O-])C1=C(F)C=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1F	REAL300025583672	0	30	-2.0	-118.86	292.38	-0.26	-119.12
O=C([O-])C1=CC(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=CC(F)=C1F	REAL300025583673	0	30	-2.0	-104.83	302.27	0.08	-104.75
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCCC3=NC(=O)O[N-]3)C=C2C1	REAL300025583674	0	37	-2.0	-98.25	336.88	1.88	-96.37
CCC1=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C=C(C(=O)[O-])O1	REAL300025583675	0	33	-2.0	-103.71	315.78	-0.10	-103.81
CCN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583676	0	31	-2.0	-96.10	297.37	-0.31	-96.41
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583677	0	36	-2.0	-93.50	323.25	1.57	-91.93
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583678	0	37	-2.0	-93.99	324.97	2.16	-91.83
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583679	0	34	-2.0	-94.70	312.29	1.37	-93.33
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583680	0	27	-2.0	-88.92	270.96	-0.47	-89.39
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1Cl	REAL300025583681	0	27	-2.0	-91.64	281.86	-0.13	-91.77
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583682	0	30	-2.0	-96.27	285.40	0.01	-96.26
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1C	REAL300025583683	0	33	-2.0	-94.52	300.97	0.91	-93.61
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025583684	0	27	-2.0	-87.30	283.94	-0.58	-87.88
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583685	0	30	-2.0	-93.68	283.99	0.38	-93.30
O=C([O-])C1=CSC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583686	0	24	-2.0	-91.25	262.55	-1.50	-92.75
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583687	0	33	-2.0	-93.44	301.04	1.25	-92.19
CN1C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583688	0	28	-2.0	-95.27	276.00	-1.18	-96.45
CC1=C(C(=O)[O-])SC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583689	0	27	-2.0	-87.71	278.48	-0.84	-88.55
CC1=C(C(=O)[O-])C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(C)O1	REAL300025583690	0	30	-2.0	-99.81	283.77	-0.14	-99.95
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(Cl)C=C1F	REAL300025583691	0	27	-2.0	-88.32	275.53	-0.45	-88.77
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583692	0	30	-2.0	-93.60	278.52	0.24	-93.36
CCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583693	0	33	-2.0	-96.35	303.64	0.66	-95.69
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1C(=O)[O-]	REAL300025583694	0	30	-2.0	-88.13	285.36	0.02	-88.11
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(Br)=C1	REAL300025583695	0	27	-2.0	-85.61	285.76	0.22	-85.39
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(F)(F)F	REAL300025583696	0	30	-2.0	-86.81	299.48	0.28	-86.53
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C(C(=O)[O-])S1	REAL300025583697	0	27	-2.0	-91.97	279.17	-0.64	-92.61
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583698	0	30	-2.0	-87.23	289.11	0.42	-86.81
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1Br	REAL300025583699	0	27	-2.0	-90.82	285.60	-0.03	-90.85
O=C([O-])CNC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025583700	0	34	-2.0	-85.72	325.83	-1.94	-87.66
COC1=CC=C(C=CC(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583701	0	35	-2.0	-94.57	321.21	0.59	-93.98
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583702	0	34	-2.0	-96.21	312.05	0.08	-96.13
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1CC(=O)[O-]	REAL300025583703	0	34	-2.0	-99.48	319.82	-0.39	-99.87
CC1=CC(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583704	0	33	-2.0	-93.61	300.26	0.94	-92.67
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583705	0	31	-2.0	-94.45	293.62	-1.66	-96.11
COC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(C(=O)[O-])=C1OC	REAL300025583706	0	35	-2.0	-94.86	327.64	-0.71	-95.57
O=C([O-])C1CC(=O)N(C2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2)C1	REAL300025583707	0	38	-2.0	-85.21	346.20	0.53	-84.68
CCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583708	0	34	-2.0	-102.73	318.49	0.45	-102.28
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(Br)S1	REAL300025583709	0	24	-2.0	-86.14	267.36	-1.24	-87.38
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CS1	REAL300025583710	0	24	-2.0	-93.81	261.01	-1.50	-95.31
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C(C(=O)[O-])O1	REAL300025583711	0	27	-2.0	-90.51	273.28	-1.41	-91.92
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC2=C1OCCO2	REAL300025583712	0	33	-2.0	-99.97	311.53	-0.75	-100.72
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025583713	0	37	-2.0	-91.09	349.11	0.73	-90.36
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025583714	0	31	-2.0	-88.74	316.46	0.30	-88.44
O=C([O-])CCCOC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025583715	0	37	-2.0	-89.96	358.91	1.21	-88.75
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCC(=O)[O-]	REAL300025583716	0	34	-2.0	-88.58	320.51	0.47	-88.11
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1OCCCC(=O)[O-]	REAL300025583717	0	40	-2.0	-89.27	362.96	1.40	-87.87
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1Cl	REAL300025583718	0	27	-2.0	-86.69	297.04	0.33	-86.36
O=C([O-])C1=CC(Cl)=C(Cl)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583719	0	27	-2.0	-84.03	286.09	-0.01	-84.04
O=C([O-])C1=CC(Br)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025583720	0	24	-2.0	-84.11	277.66	-0.98	-85.09
CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C)=C1C(=O)[O-]	REAL300025583721	0	33	-2.0	-97.91	303.31	0.86	-97.05
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583722	0	30	-2.0	-88.26	283.99	0.38	-87.88
O=C([O-])C1=CC(Br)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583723	0	27	-2.0	-89.90	290.65	0.09	-89.81
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583724	0	27	-2.0	-89.49	275.77	-0.46	-89.95
CC1=C(C(=O)[O-])C=C(Br)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583725	0	30	-2.0	-88.04	300.60	0.75	-87.29
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(Cl)=C1	REAL300025583726	0	27	-2.0	-84.97	270.93	-0.48	-85.45
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025583727	0	27	-2.0	-90.03	273.89	-0.48	-90.51
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583728	0	30	-2.0	-88.01	297.84	0.82	-87.19
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(Cl)=C1F	REAL300025583729	0	27	-2.0	-89.10	290.07	0.01	-89.09
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(F)=C1Cl	REAL300025583730	0	27	-2.0	-86.35	287.72	-0.08	-86.43
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL300025583731	0	30	-2.0	-89.51	287.80	-0.15	-89.66
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1Br	REAL300025583732	0	30	-2.0	-88.87	303.91	0.79	-88.08
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(Cl)C=C1Cl	REAL300025583733	0	27	-2.0	-86.01	283.39	-0.10	-86.11
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583734	0	31	-2.0	-95.66	289.74	-0.70	-96.36
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1O	REAL300025583735	0	28	-2.0	-97.75	278.16	-2.48	-100.23
O=C([O-])C=CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025583736	0	31	-2.0	-90.38	300.83	0.77	-89.61
O=C([O-])C1=CC=C(Br)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583737	0	27	-2.0	-88.11	285.78	0.23	-87.88
O=C([O-])CCC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025583738	0	33	-2.0	-88.62	312.93	1.07	-87.55
O=C([O-])C1=CC=C(F)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583739	0	27	-2.0	-89.26	267.57	-0.78	-90.04
O=C([O-])CC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025583740	0	30	-2.0	-90.63	291.54	0.26	-90.37
COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583741	0	31	-2.0	-99.85	296.65	-0.46	-100.31
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025583742	0	31	-2.0	-88.50	300.42	-0.24	-88.74
O=C([O-])COC1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1F	REAL300025583743	0	31	-2.0	-90.43	306.66	-0.18	-90.61
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025583744	0	27	-2.0	-85.46	267.54	-0.77	-86.23
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Cl	REAL300025583745	0	27	-2.0	-86.90	281.86	-0.12	-87.02
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583746	0	30	-2.0	-97.86	287.16	-0.15	-98.01
O=C([O-])CCC(=O)C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1	REAL300025583747	0	35	-2.0	-88.44	333.10	0.89	-87.55
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583748	0	27	-2.0	-83.31	273.82	-0.71	-84.02
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C1	REAL300025583748	1	26	-3.0	-164.75	279.80	-1.08	-165.83
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(C(=O)[O-])=C1C	REAL300025583749	0	33	-2.0	-98.36	306.85	0.68	-97.68
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583750	0	29	-2.0	-84.39	297.55	0.15	-84.24
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(Br)C=C1F	REAL300025583751	0	27	-2.0	-87.57	290.26	0.27	-87.30
COC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(Cl)C=C1C(=O)[O-]	REAL300025583752	0	31	-2.0	-89.55	298.18	-0.42	-89.97
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1Br	REAL300025583753	0	27	-2.0	-86.08	285.60	-0.02	-86.10
CC1=C(Br)C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583754	0	30	-2.0	-89.39	307.24	0.64	-88.75
CC1=C(Br)C=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583755	0	30	-2.0	-88.20	301.87	0.91	-87.29
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(C(=O)[O-])=C1F	REAL300025583756	0	30	-2.0	-95.10	294.19	0.13	-94.97
CC1=CC(F)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583757	0	30	-2.0	-89.16	283.64	-0.24	-89.40
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1Cl	REAL300025583758	0	30	-2.0	-89.45	289.58	0.09	-89.36
CC1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(C(=O)[O-])=C1Cl	REAL300025583759	0	30	-2.0	-92.29	300.57	0.44	-91.85
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583760	0	30	-2.0	-87.99	296.03	0.65	-87.34
COC1=CC(Cl)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583761	0	31	-2.0	-94.23	298.20	-0.41	-94.64
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(OC(F)(F)F)=C1	REAL300025583762	0	31	-2.0	-85.36	306.28	-0.19	-85.55
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=C1	REAL300025583763	0	29	-2.0	-86.01	286.72	0.97	-85.04
O=C([O-])C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025583764	0	24	-2.0	-87.44	261.63	-1.39	-88.83
O=C([O-])CC1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583765	0	30	-2.0	-93.56	291.53	0.25	-93.31
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1[N+](=O)[O-]	REAL300025583766	0	29	-2.0	-99.53	295.93	0.56	-98.97
CC1=CC(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(C)=C1CC(=O)[O-]	REAL300025583767	0	39	-2.0	-95.30	326.76	1.98	-93.32
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1[N+](=O)[O-]	REAL300025583768	0	29	-2.0	-104.80	292.94	1.33	-103.47
CC(C)(C)C1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C(C(=O)[O-])S1	REAL300025583769	0	36	-2.0	-97.04	319.46	1.21	-95.83
CC1=C(Cl)C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583770	0	30	-2.0	-89.26	303.14	0.55	-88.71
CC1=C(F)C=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C1C(=O)[O-]	REAL300025583771	0	30	-2.0	-88.50	294.32	0.15	-88.35
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC2=CC=CC=C21	REAL300025583772	0	33	-2.0	-99.90	310.40	1.61	-98.29
COC1=CC(CC(=O)[O-])=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1OC	REAL300025583773	0	38	-2.0	-93.73	348.90	0.04	-93.69
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583774	0	31	-2.0	-88.20	289.78	-0.70	-88.90
O=C([O-])C1=CC=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL300025583775	0	27	-2.0	-97.99	265.70	-0.82	-98.81
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(C(=O)[O-])=C1	REAL300025583776	0	29	-3.0	-160.88	297.77	0.04	-160.84
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583777	0	31	-2.0	-97.48	298.07	-1.41	-98.89
O=C([O-])C1=CC=C([O-])C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583778	0	27	-3.0	-161.58	267.76	-1.91	-163.49
O=C([O-])C1=CC=C(O)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583778	1	28	-2.0	-92.19	278.77	-2.79	-94.98
O=C([O-])C1=CC=NC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025583779	0	26	-2.0	-89.73	265.57	-2.40	-92.13
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025583780	0	30	-2.0	-93.45	289.36	0.33	-93.12
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(Cl)O1	REAL300025583781	0	24	-2.0	-84.84	260.89	-1.91	-86.75
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC=C1OC(F)(F)F	REAL300025583782	0	31	-2.0	-92.12	313.14	0.03	-92.09
O=C([O-])C1=C(F)C=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL300025583783	0	27	-2.0	-98.35	270.31	-0.78	-99.13
O=C([O-])C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=CC(F)=C1F	REAL300025583784	0	27	-2.0	-88.96	280.18	-0.43	-89.39
O=C([O-])C1CC2=CC=C(S(=O)(=O)NCC3=NC(=O)O[N-]3)C=C2C1	REAL300025583785	0	34	-2.0	-91.74	314.81	1.36	-90.38
CCC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C=C(C(=O)[O-])O1	REAL300025583786	0	30	-2.0	-90.00	293.70	-0.60	-90.60
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)[N-]C2=CC=CC=N2)[N-]O1	REAL300025583791	1	40	-2.0	-97.92	377.24	-2.68	-100.60
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)[N-]C2=NC=CS2)[N-]O1	REAL300025583792	0	37	-2.0	-94.71	367.73	-3.88	-98.59
CN1N=CN=C1[N-]S(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583793	0	40	-2.0	-95.51	380.66	-1.47	-96.98
CN1C=CC([N-]S(=O)(=O)CCCS(=O)(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025583794	0	41	-2.0	-104.77	386.27	-3.35	-108.12
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)[N-]C2=NN=CS2)[N-]O1	REAL300025583796	0	36	-2.0	-95.76	363.28	-4.78	-100.54
CC1=NON=C1[N-]S(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583798	0	39	-2.0	-95.59	377.24	-4.28	-99.87
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)[N-]C2=NNC=N2)[N-]O1	REAL300025583800	0	37	-2.0	-102.40	357.89	-2.60	-105.00
CC1=CC([N-]S(=O)(=O)CCCS(=O)(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025583803	0	40	-2.0	-101.57	380.27	-2.92	-104.49
CC1=CN=C([N-]S(=O)(=O)CCCS(=O)(=O)NCCC2=NC(=O)O[N-]2)O1	REAL300025583805	0	40	-2.0	-99.70	380.48	-6.56	-106.26
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)[N-]C2=NSN=C2)[N-]O1	REAL300025583808	0	36	-2.0	-91.17	361.76	-5.01	-96.18
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)[N-]CC(F)(F)F)[N-]O1	REAL300025583812	0	37	-2.0	-86.36	365.76	-4.92	-91.28
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)[N-]C2=NOC=C2)[N-]O1	REAL300025583813	0	37	-2.0	-100.24	358.34	-3.74	-103.98
CC1=CON=C1[N-]S(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583818	0	40	-2.0	-101.13	380.29	-3.04	-104.17
COCC(C#N)[N-]S(=O)(=O)CCCS(=O)(=O)NCCC1=NC(=O)O[N-]1	REAL300025583820	1	42	-2.0	-92.06	396.43	-5.94	-98.00
CN1C=NC([N-]S(=O)(=O)CCCS(=O)(=O)NCCC2=NC(=O)O[N-]2)=N1	REAL300025583821	0	40	-2.0	-105.67	380.90	-1.36	-107.03
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)[N-]C2=NC=CC=N2)[N-]O1	REAL300025583822	0	39	-2.0	-99.95	371.87	-2.36	-102.31
O=C1N=C(CCNS(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)[N-]O1	REAL300025583824	1	37	-2.0	-91.73	359.20	-5.07	-96.80
CC1=NC([N-]S(=O)(=O)CCCS(=O)(=O)NCCC2=NC(=O)O[N-]2)=NO1	REAL300025583827	0	39	-2.0	-102.64	374.81	-4.25	-106.89
O=C1N=C(CCNS(=O)(=O)CCCCS(=O)(=O)[N-]C2=NNC=N2)[N-]O1	REAL300025583835	0	40	-2.0	-102.26	379.39	-1.81	-104.07
O=C1N=C(CCNS(=O)(=O)CCCCS(=O)(=O)[N-]C2=NOC=C2)[N-]O1	REAL300025583841	0	40	-2.0	-100.38	379.83	-2.96	-103.34