O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(Cl)C=C(Br)C=C2C1=O	REAL300025554601	0	29	-2.0	-83.15	304.17	1.96	-81.19
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(F)C=C(F)C=C2C1=O	REAL300025554752	0	29	-2.0	-83.33	279.52	0.90	-82.43
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O	REAL300025554785	0	33	-2.0	-83.38	313.59	1.23	-82.15
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-]	REAL300025554785	1	33	-2.0	-86.03	313.50	1.18	-84.85
O=C(CCC(=O)NCC1=NC(=O)O[N-]1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300025554849	0	44	-2.0	-88.24	384.77	1.05	-87.19
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1[O-]	REAL300025554880	0	33	-2.0	-108.69	330.04	1.88	-106.81
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025554881	0	34	-2.0	-106.57	314.07	0.93	-105.64
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025554891	0	40	-2.0	-105.11	349.52	2.20	-102.91
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300025555110	0	31	-2.0	-103.35	295.73	0.34	-103.01
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300025555243	0	34	-2.0	-109.81	319.22	1.70	-108.11
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300025555244	0	31	-2.0	-102.60	306.05	0.80	-101.80
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300025555245	0	31	-2.0	-99.39	299.07	0.32	-99.07
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300025555374	0	31	-2.0	-103.85	289.32	0.28	-103.57
O=C(NCC1=NC(=O)O[N-]1)C1=C([O-])C=NC2=C(Br)C=CC=C21	REAL300025555384	1	29	-2.0	-92.45	292.31	-0.09	-92.54
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025555443	0	29	-2.0	-95.51	280.52	-4.44	-99.95
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC(Cl)=CC=C1Cl	REAL300025555493	1	26	-2.0	-101.42	282.61	0.84	-100.58
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)C1=CC(F)=CC=C1F	REAL300025558336	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	REAL300025558336	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	REAL300025558337	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	REAL300025558337	1	26	-2.0	-108.73	264.91	0.07	-108.66
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C(F)C([O-])=C1F	REAL300025562831	0	27	-2.0	-92.90	267.59	-0.34	-93.24
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562893	0	32	-2.0	-78.16	296.01	-2.65	-80.81
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(F)C=C(F)C=C2C1=O	REAL300025563086	0	32	-2.0	-79.80	301.70	1.39	-78.41
O=C(NCCC1=NC(=O)O[N-]1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300025563117	1	29	-2.0	-97.22	283.76	2.34	-94.88
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O	REAL300025563130	0	36	-2.0	-90.53	335.77	1.70	-88.83
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-]	REAL300025563130	1	36	-2.0	-94.43	335.68	1.66	-92.77
O=C(CCC(=O)NCCC1=NC(=O)O[N-]1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300025563208	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-]	REAL300025563246	0	36	-2.0	-117.71	356.61	2.33	-115.38
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NCCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025563247	0	37	-2.0	-113.50	336.25	1.42	-112.08
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NCCC3=NC(=O)O[N-]3)=N2)=C1	REAL300025563257	0	43	-2.0	-109.90	371.76	2.69	-107.21
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300025563491	0	29	-2.0	-91.67	283.80	-1.15	-92.82
O=C1N=C(CCNS(=O)(=O)C2=CC=C(F)C(F)=C2F)[N-]O1	REAL300025567424	0	27	-2.0	-97.15	278.80	-0.77	-97.92
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(F)C(F)=C2F)[N-]O1	REAL300025567424	1	27	-2.0	-97.15	278.80	-0.77	-97.92
O=C1N=C(CCNS(=O)(=O)C2=CC=C([O-])C([N+](=O)[O-])=C2)[N-]O1	REAL300025567450	0	30	-2.0	-94.59	296.44	-0.86	-95.45
O=C1N=C(CCNS(=O)(=O)C2=C(Cl)SC(Cl)=C2)[N-]O1	REAL300025567478	0	24	-2.0	-94.64	283.58	-0.79	-95.43
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)SC(Cl)=C2)[N-]O1	REAL300025567478	1	24	-2.0	-94.64	283.58	-0.79	-95.43
O=C1N=C(CCNS(=O)(=O)C2=CC(F)=CC=C2F)[N-]O1	REAL300025567482	0	27	-2.0	-102.37	272.64	-0.82	-103.19
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(F)=CC=C2F)[N-]O1	REAL300025567482	1	27	-2.0	-102.37	272.64	-0.82	-103.19
CN1C=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(=O)N(C)C1=O	REAL300025567487	0	33	-2.0	-106.10	307.31	-1.93	-108.03
CN1C=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(=O)N(C)C1=O	REAL300025567487	1	33	-2.0	-106.10	307.31	-1.93	-108.03
O=C1N=C(CC[N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)[N-]O1	REAL300025567998	1	26	-2.0	-92.13	286.17	-1.76	-93.89
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(Br)O2)[N-]O1	REAL300025568014	1	24	-2.0	-96.07	265.11	-2.23	-98.30
O=C1N=C(CC[N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)[N-]O1	REAL300025568017	1	27	-2.0	-107.41	276.79	-0.15	-107.56
COC(=O)C1=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)SC=N1	REAL300025568024	0	29	-2.0	-108.07	295.89	-2.62	-110.69
O=C1N=C(CC[N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)[N-]O1	REAL300025568042	0	27	-2.0	-99.40	281.81	-0.54	-99.94
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)[N-]O1	REAL300025568048	1	27	-2.0	-94.88	295.91	0.17	-94.71
O=C1N=C(CC[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CC(Cl)=C2F)[N-]O1	REAL300025568115	0	29	-2.0	-93.93	310.63	0.28	-93.65
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)[N-]O1	REAL300025568117	1	29	-2.0	-90.00	306.90	0.16	-89.84
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)S1	REAL300025568128	1	30	-2.0	-90.92	304.65	-4.20	-95.12
O=C1N=C(CC[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)[N-]O1	REAL300025568141	1	29	-2.0	-91.66	314.54	0.66	-91.00
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)[N-]O1	REAL300025568142	1	27	-2.0	-95.04	290.75	0.43	-94.61
CCOC(=O)C1=CC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C(F)C=C1Cl	REAL300025568188	1	36	-2.0	-96.80	355.35	1.09	-95.71
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C=CC([N+](=O)[O-])=C2Cl)[N-]O1	REAL300025568189	1	29	-2.0	-98.77	308.29	0.89	-97.88
CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025568192	0	35	-2.0	-101.87	328.97	0.57	-101.30
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)[N-]O1	REAL300025568197	1	27	-2.0	-102.37	282.97	-0.37	-102.74
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025568206	1	33	-2.0	-106.24	338.13	1.66	-104.58
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)[N-]O1	REAL300025568219	0	27	-2.0	-103.60	283.10	-0.09	-103.69
CCS(=O)(CC)=NS(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025568220	1	33	-2.0	-127.97	305.14	-3.35	-131.32
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C=CS2)[N-]O1	REAL300025568226	1	24	-2.0	-101.84	268.71	-1.48	-103.32
COC1=CC=C([O-])C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025568235	1	32	-2.0	-102.02	290.93	-2.67	-104.69
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(F)N=C2F)[N-]O1	REAL300025568236	1	26	-2.0	-96.54	267.65	-2.84	-99.38
O=C1N=C(CC[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)[N-]O1	REAL300025568247	1	30	-2.0	-98.65	296.92	-0.48	-99.13
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)[N-]O1	REAL300025568248	1	30	-2.0	-104.87	312.03	1.10	-103.77
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])[N-]O1	REAL300025568252	1	29	-2.0	-97.72	304.41	1.26	-96.46
O=C1N=C(CC[N-]S(=O)(=O)N=S2(=O)CCCC2)[N-]O1	REAL300025568255	1	31	-2.0	-128.85	291.91	-3.66	-132.51
CN1C=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(C(F)(F)F)=N1	REAL300025568263	1	30	-2.0	-101.64	299.37	-2.10	-103.74
O=C1N=C(CCNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])[N-]O1	REAL300025568289	0	31	-2.0	-94.54	300.19	-0.96	-95.50
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C=C1Br	REAL300025568292	1	28	-2.0	-93.48	306.69	0.01	-93.47
CC1=NC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C(Br)N1C	REAL300025568294	1	30	-2.0	-110.45	302.20	-1.47	-111.92
O=C1N=C(CC[N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)[N-]O1	REAL300025568307	1	27	-2.0	-98.64	276.40	-3.42	-102.06
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Br)NC=N2)[N-]O1	REAL300025568322	1	24	-2.0	-106.12	260.10	-2.94	-109.06
COC(=O)C1=NOC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1	REAL300025568325	0	29	-2.0	-90.48	294.81	-2.95	-93.43
CC1=CC(F)=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025568349	1	30	-2.0	-109.88	290.66	0.01	-109.87
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)[N-]O1	REAL300025568351	1	26	-2.0	-94.66	285.78	-1.74	-96.40
CS(=O)(=NS(=O)(=O)[N-]CCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025568355	1	34	-2.0	-124.08	322.91	-2.22	-126.30
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1F	REAL300025568376	1	33	-2.0	-103.73	335.86	0.23	-103.50
O=C1N=C(CC[N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)[N-]O1	REAL300025568386	1	29	-2.0	-92.67	299.22	-0.72	-93.39
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(C3=CC=C([N+](=O)[O-])C=C3)=NO2)[N-]O1	REAL300025568400	0	35	-2.0	-92.21	345.87	0.71	-91.50
O=C1N=C(CC[N-]S(=O)(=O)C2=NC=CC=C2[N+](=O)[O-])[N-]O1	REAL300025568428	0	28	-2.0	-115.43	279.07	-1.28	-116.71
CN1C=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(=O)NC1=O	REAL300025568441	1	30	-2.0	-105.41	289.14	-4.24	-109.65
O=C1N=C(CC[N-]S(=O)(=O)C2=NC=CC=C2Br)[N-]O1	REAL300025568445	1	26	-2.0	-106.64	271.99	-2.04	-108.68
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1F	REAL300025568461	1	33	-2.0	-103.30	325.54	-0.21	-103.51
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C=C1F	REAL300025568471	1	32	-2.0	-106.52	305.98	1.35	-105.17
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)O1	REAL300025568473	1	33	-2.0	-97.12	318.18	-1.58	-98.70
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)[N-]O1	REAL300025568488	1	26	-2.0	-97.27	278.11	-2.35	-99.62
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(Br)N=C2F)[N-]O1	REAL300025568499	1	26	-2.0	-97.39	282.71	-2.27	-99.66
COC(=O)C1=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)OC=C1	REAL300025568504	0	30	-2.0	-111.62	297.00	-1.92	-113.54
O=C1N=C(C[N-]S(=O)(=O)C2=C(F)C(F)=CC(F)=C2F)[N-]O1	REAL300025569606	0	24	-2.0	-101.23	260.66	-1.35	-102.58
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(Cl)C(F)=C2Cl)[N-]O1	REAL300025569610	1	24	-2.0	-97.65	274.75	-0.62	-98.27
O=C1N=C(C[N-]S(=O)(=O)C2=CC(Cl)=C(Br)C=C2F)[N-]O1	REAL300025569628	1	24	-2.0	-97.76	281.21	-0.63	-98.39
COC(=O)C1=CC(Br)=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)S1	REAL300025569634	0	27	-2.0	-95.15	307.78	-1.40	-96.55
O=C1N=C(C[N-]S(=O)(=O)C2=CC(Cl)=C([N+](=O)[O-])C=C2F)[N-]O1	REAL300025569674	1	26	-2.0	-92.34	285.75	-0.65	-92.99
CC(=O)[N-]C1=NC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025569683	1	27	-2.0	-84.03	282.55	-4.72	-88.75
O=C1N=C(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=C(Cl)C=C2Cl)[N-]O1	REAL300025569693	1	26	-2.0	-92.58	293.37	-0.13	-92.71
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Cl)[N-]O1	REAL300025569694	1	24	-2.0	-96.79	269.59	-0.39	-97.18
CCOC(=O)C1=CC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C(F)C=C1Cl	REAL300025569734	1	33	-2.0	-98.98	334.23	0.26	-98.72
O=C1N=C(C[N-]S(=O)(=O)C2=CC(Cl)=CC=C2F)[N-]O1	REAL300025569740	1	24	-2.0	-103.98	261.82	-1.19	-105.17
COC(=O)C1=CC(Cl)=CC(Cl)=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025569750	1	30	-2.0	-108.44	313.00	1.00	-107.44
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)C=CC(F)=C2F)[N-]O1	REAL300025569760	0	24	-2.0	-105.21	261.93	-0.90	-106.11
O=C1N=C(C[N-]S(=O)(=O)C2=CC3=CC(F)=CC=C3O2)[N-]O1	REAL300025569780	1	27	-2.0	-101.67	275.77	-1.30	-102.97
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3S2)[N-]O1	REAL300025569781	1	27	-2.0	-107.16	292.10	0.25	-106.91
CCCS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569782	1	38	-2.0	-87.70	352.35	-2.84	-90.54
O=C1N=C(C[N-]S(=O)(=O)C2=CC(Cl)=C(F)C=C2[N+](=O)[O-])[N-]O1	REAL300025569785	1	26	-2.0	-100.60	283.27	0.46	-100.14
CN1C=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C(C(F)(F)F)=N1	REAL300025569795	1	27	-2.0	-105.24	279.58	-2.85	-108.09
O=C1N=C(CNS(=O)(=O)C2=CC(C(F)(F)F)=CC=C2[O-])[N-]O1	REAL300025569818	0	28	-2.0	-83.97	278.11	-1.48	-85.45
N#CC1=CC(F)=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C=C1Br	REAL300025569820	1	25	-2.0	-95.21	285.56	-0.81	-96.02
CC1=NC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C(Br)N1C	REAL300025569822	1	27	-2.0	-114.87	281.30	-2.37	-117.24
O=C1N=C(C[N-]S(=O)(=O)C2=CNN=C2C(F)(F)F)[N-]O1	REAL300025569833	1	24	-2.0	-102.05	255.26	-4.24	-106.29
O=C1N=C(C[N-]S(=O)(=O)C2=C(Br)NC=N2)[N-]O1	REAL300025569850	1	21	-2.0	-108.30	238.93	-3.76	-112.06
COC(=O)C1=NOC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C1	REAL300025569853	0	26	-2.0	-93.93	273.67	-3.77	-97.70
CC1=CC(F)=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C(F)=C1	REAL300025569873	1	27	-2.0	-111.54	269.50	-0.80	-112.34
O=C1N=C(C[N-]S(=O)(=O)C2=CC(Cl)=CN=C2Cl)[N-]O1	REAL300025569876	1	23	-2.0	-97.08	264.63	-2.55	-99.63
CS(=O)(=NS(=O)(=O)[N-]CC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025569880	1	31	-2.0	-127.72	301.80	-3.04	-130.76
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C1F	REAL300025569897	1	30	-2.0	-107.21	314.73	-0.59	-107.80
O=C1N=C(C[N-]S(=O)(=O)C2=CN=C(Cl)C=C2C(F)(F)F)[N-]O1	REAL300025569904	1	26	-2.0	-94.78	278.08	-1.52	-96.30
O=C1N=C(C[N-]S(=O)(=O)C2=CC(C3=CC=C([N+](=O)[O-])C=C3)=NO2)[N-]O1	REAL300025569914	0	32	-2.0	-95.19	324.72	-0.10	-95.29
NC(=O)C1=CC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C(F)C=C1Br	REAL300025569936	1	28	-2.0	-98.47	295.84	-4.30	-102.77
O=C1N=C(C[N-]S(=O)(=O)C2=NC=CC=C2[N+](=O)[O-])[N-]O1	REAL300025569938	0	25	-2.0	-117.78	257.94	-2.08	-119.86
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C1F	REAL300025569966	1	30	-2.0	-106.58	304.40	-1.03	-107.61
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C=C1F	REAL300025569976	1	29	-2.0	-108.31	284.79	0.57	-107.74
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)O1	REAL300025569979	1	30	-2.0	-100.29	297.02	-2.40	-102.69
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(Cl)N=C2F)[N-]O1	REAL300025569990	1	23	-2.0	-100.79	256.96	-3.16	-103.95
COC(=O)C1=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)OC=C1	REAL300025570006	0	27	-2.0	-111.52	271.72	-2.31	-113.83
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=N1	REAL300025570010	0	26	-2.0	-115.99	266.68	-2.77	-118.76
O=C1N=C(CNS(=O)(=O)C2=CC([O-])=CC(C(F)(F)F)=C2)[N-]O1	REAL300025570014	1	28	-2.0	-82.81	287.08	-2.17	-84.98
O=C1N=C(C[N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3O2)[N-]O1	REAL300025570030	0	27	-2.0	-107.95	288.27	-0.69	-108.64
CN1N=CC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C1C(F)(F)F	REAL300025570031	1	27	-2.0	-99.67	272.73	-3.13	-102.80
CS(=O)(=NS(=O)(=O)NCC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025570042	0	37	-2.0	-130.42	325.94	-2.38	-132.80
CS(=O)(=NS(=O)(=O)[N-]CC1=NC(=O)O[N-]1)C1CCCCC1	REAL300025570042	1	37	-2.0	-130.42	325.94	-2.38	-132.80
O=C1N=C(CNS(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)[N-]O1	REAL300025570043	0	29	-2.0	-106.60	302.37	-0.23	-106.83
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)C3=CC=CC=C3N=C2Cl)[N-]O1	REAL300025570043	1	29	-2.0	-106.60	302.37	-0.23	-106.83
COC(=O)C1=CNN=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570049	0	27	-2.0	-117.74	270.58	-4.09	-121.83
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025570049	1	27	-2.0	-117.74	270.58	-4.09	-121.83
CC(C)(C)S(C)(=O)=NS(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570057	0	33	-2.0	-130.13	303.15	-3.73	-133.86
CC(C)(C)S(C)(=O)=NS(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025570057	1	33	-2.0	-130.13	303.15	-3.73	-133.86
CN(C)S(=O)(=NS(=O)(=O)NCC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025570061	0	36	-2.0	-131.20	340.98	-2.14	-133.34
CN(C)S(=O)(=NS(=O)(=O)[N-]CC1=NC(=O)O[N-]1)C1=CC=CC=C1	REAL300025570061	1	36	-2.0	-131.20	340.98	-2.14	-133.34
COC1=CC=C(Br)C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1F	REAL300025570076	0	28	-2.0	-110.64	288.55	-1.52	-112.16
COC1=CC=C(Br)C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C1F	REAL300025570076	1	28	-2.0	-110.64	288.55	-1.52	-112.16
O=C1N=C(CNS(=O)(=O)C2=CC([N+](=O)[O-])=CN=C2Cl)[N-]O1	REAL300025570105	0	25	-2.0	-92.76	276.26	-2.39	-95.15
O=C1N=C(C[N-]S(=O)(=O)C2=CC([N+](=O)[O-])=CN=C2Cl)[N-]O1	REAL300025570105	1	25	-2.0	-92.76	276.26	-2.39	-95.15
O=C1N=C(CNS(=O)(=O)C2=CC=C(F)C(Br)=C2F)[N-]O1	REAL300025570112	0	24	-2.0	-99.75	271.41	-1.05	-100.80
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(F)C(Br)=C2F)[N-]O1	REAL300025570112	1	24	-2.0	-99.75	271.41	-1.05	-100.80
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=NN1	REAL300025570113	0	27	-2.0	-83.82	275.70	-4.36	-88.18
COC(=O)C1=N[N-]C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570113	1	27	-2.0	-83.80	275.81	-4.35	-88.15
COC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=N[N-]1	REAL300025570113	1	27	-2.0	-83.80	275.81	-4.35	-88.15
O=C1N=C(CNS(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)[N-]O1	REAL300025570137	0	30	-2.0	-100.81	312.05	-0.15	-100.96
O=C1N=C(C[N-]S(=O)(=O)C2=C(C3=CC=CC=C3)N=C(Cl)S2)[N-]O1	REAL300025570137	1	30	-2.0	-100.81	312.05	-0.15	-100.96
CC1=NC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)O1	REAL300025570141	0	33	-2.0	-113.87	313.91	-2.56	-116.43
CC1=NC(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)=C(C2=CC=CC=C2)O1	REAL300025570141	1	33	-2.0	-113.87	313.91	-2.56	-116.43
COC1=C(F)C=CC(F)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570145	0	28	-2.0	-105.84	279.57	-1.08	-106.92
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025570145	1	28	-2.0	-105.84	279.57	-1.08	-106.92
O=C1N=C(CNS(=O)(=O)C2=CN=C(C3OCCO3)S2)[N-]O1	REAL300025570149	0	29	-2.0	-103.05	295.50	-5.00	-108.05
O=C1N=C(C[N-]S(=O)(=O)C2=CN=C(C3OCCO3)S2)[N-]O1	REAL300025570149	1	29	-2.0	-103.05	295.50	-5.00	-108.05
O=C1N=C(CNS(=O)(=O)C2=C(F)C=CC3=C2OCO3)[N-]O1	REAL300025570182	0	27	-2.0	-111.37	269.03	-2.54	-113.91
O=C1N=C(C[N-]S(=O)(=O)C2=C(F)C=CC3=C2OCO3)[N-]O1	REAL300025570182	1	27	-2.0	-111.37	269.03	-2.54	-113.91
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=CC(Cl)=C2[O-])[N-]O1	REAL300025570184	0	25	-2.0	-83.14	272.14	-1.44	-84.58
O=C1N=C(CNS(=O)(=O)C2=CC=C(Br)O2)[N-]O1	REAL300025570223	0	21	-2.0	-98.81	243.97	-3.04	-101.85
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(Br)O2)[N-]O1	REAL300025570223	1	21	-2.0	-98.81	243.97	-3.04	-101.85
O=C1N=C(CNS(=O)(=O)C2=CC=C(C(F)(F)F)O2)[N-]O1	REAL300025570256	0	24	-2.0	-97.26	263.44	-2.55	-99.81
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)O2)[N-]O1	REAL300025570256	1	24	-2.0	-97.26	263.44	-2.55	-99.81
CCC(=O)NC1=NC(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025570269	0	33	-2.0	-84.37	319.51	-3.17	-87.54
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)S1	REAL300025570269	1	33	-2.0	-84.37	319.51	-3.17	-87.54
O=C1N=C(CNS(=O)(=O)C2=C(Br)C3=CC=CC=C3S2)[N-]O1	REAL300025570273	0	27	-2.0	-106.41	295.65	0.37	-106.04
O=C1N=C(C[N-]S(=O)(=O)C2=C(Br)C3=CC=CC=C3S2)[N-]O1	REAL300025570273	1	27	-2.0	-106.41	295.65	0.37	-106.04
O=C1N=C(C[N-]S(=O)(=O)C2=C(F)C=C(Br)C=C2F)[N-]O1	REAL300025570280	0	24	-2.0	-102.74	269.39	-0.85	-103.59
O=C1N=C(CNS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)[N-]O1	REAL300025570281	0	26	-2.0	-99.53	280.60	-2.49	-102.02
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)[N-]O1	REAL300025570281	1	26	-2.0	-99.53	280.60	-2.49	-102.02
O=C1N=C(CNS(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)[N-]O1	REAL300025570284	0	26	-2.0	-99.53	280.60	-2.49	-102.02
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(C(F)(F)F)N=C2F)[N-]O1	REAL300025570284	1	26	-2.0	-99.53	280.60	-2.49	-102.02
COC1=CC=C(Br)C(F)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570287	0	28	-2.0	-111.85	291.42	-0.74	-112.59
COC1=CC=C(Br)C(F)=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025570287	1	28	-2.0	-111.85	291.42	-0.74	-112.59
O=C1N=C(CNS(=O)(=O)C2=CC=C(F)C(Cl)=C2F)[N-]O1	REAL300025570290	0	24	-2.0	-99.83	267.15	-1.16	-100.99
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(F)C(Cl)=C2F)[N-]O1	REAL300025570290	1	24	-2.0	-99.83	267.15	-1.16	-100.99
CCOC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=NN1	REAL300025570304	0	30	-2.0	-84.36	297.57	-3.43	-87.79
CCOC(=O)C1=N[N-]C(S(=O)(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025570304	1	30	-2.0	-84.28	297.67	-3.42	-87.70
CCOC(=O)C1=CC(S(=O)(=O)NCC2=NC(=O)O[N-]2)=N[N-]1	REAL300025570304	1	30	-2.0	-84.28	297.67	-3.42	-87.70
O=C1N=C(CNS(=O)(=O)C2=CN=C(C3=CC=CC=C3)O2)[N-]O1	REAL300025570306	0	30	-2.0	-105.07	298.22	-3.24	-108.31
O=C1N=C(C[N-]S(=O)(=O)C2=CN=C(C3=CC=CC=C3)O2)[N-]O1	REAL300025570306	1	30	-2.0	-105.07	298.22	-3.24	-108.31
COC1=C(Br)C=CC(F)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570309	0	28	-2.0	-105.26	293.72	-0.49	-105.75
COC1=C(Br)C=CC(F)=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025570309	1	28	-2.0	-105.26	293.72	-0.49	-105.75
COC1=CC(F)=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025570311	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	REAL300025570311	1	28	-2.0	-107.65	277.58	-2.18	-109.83
O=C1N=C(CNS(=O)(=O)C2=CC(Cl)=C(Cl)S2)[N-]O1	REAL300025570317	0	21	-2.0	-93.63	264.65	-1.66	-95.29
O=C1N=C(C[N-]S(=O)(=O)C2=CC(Cl)=C(Cl)S2)[N-]O1	REAL300025570317	1	21	-2.0	-93.63	264.65	-1.66	-95.29
O=C1N=C(CNS(=O)(=O)C2=C(I)C=CS2)[N-]O1	REAL300025570323	0	21	-2.0	-99.92	258.09	-1.73	-101.65
O=C1N=C(C[N-]S(=O)(=O)C2=C(I)C=CS2)[N-]O1	REAL300025570323	1	21	-2.0	-99.92	258.09	-1.73	-101.65
COC(=O)C1=CNN=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570326	0	27	-2.0	-117.74	270.58	-4.09	-121.83
COC(=O)C1=CNN=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025570326	1	27	-2.0	-117.74	270.58	-4.09	-121.83
CC1=C(S(=O)(=O)NCC2=NC(=O)O[N-]2)C(=O)NC(=O)N1	REAL300025570328	0	27	-2.0	-108.55	262.65	-6.03	-114.58
CC1=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C(=O)NC(=O)N1	REAL300025570328	1	27	-2.0	-108.55	262.65	-6.03	-114.58
O=C1N=C(CNS(=O)(=O)C2=NC=CC=C2C(F)(F)F)[N-]O1	REAL300025570396	0	26	-2.0	-110.54	262.61	-2.16	-112.70
O=C1N=C(C[N-]S(=O)(=O)C2=NC=CC=C2C(F)(F)F)[N-]O1	REAL300025570396	1	26	-2.0	-110.54	262.61	-2.16	-112.70
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570411	0	30	-2.0	-104.16	307.33	0.39	-103.77
COC(=O)C1=CC(Cl)=C(F)C=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025570411	1	30	-2.0	-104.16	307.33	0.39	-103.77
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)NCC1=NC(=O)O[N-]1	REAL300025570412	0	30	-2.0	-121.30	292.13	-0.14	-121.44
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)[N-]CC1=NC(=O)O[N-]1	REAL300025570412	1	30	-2.0	-121.30	292.13	-0.14	-121.44
O=C(NCC1=NC(=O)O[N-]1)NC1=NC=C(C2=CC=CC=C2)S1	REAL300025570428	0	31	-2.0	-93.71	296.81	1.40	-92.31
O=C([N-]C1=NC=C(C2=CC=CC=C2)S1)NCC1=NC(=O)O[N-]1	REAL300025570428	1	31	-2.0	-93.71	296.81	1.40	-92.31
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)OC1=CC=C([N+](=O)[O-])C=C1	REAL300025570451	0	29	-2.0	-93.50	290.20	0.55	-92.95
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)OC1=CC=C([N+](=O)[O-])C=C1	REAL300025570451	1	29	-2.0	-93.50	290.20	0.55	-92.95
O=C(NCC1=NC(=O)O[N-]1)C(F)(F)OC1=CC=CC([N+](=O)[O-])=C1	REAL300025570452	0	29	-2.0	-96.62	290.21	0.56	-96.06
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)OC1=CC=CC([N+](=O)[O-])=C1	REAL300025570452	1	29	-2.0	-96.62	290.21	0.56	-96.06
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C([N-]S(=O)(=O)C2=CC=CS2)C=C1	REAL300025570485	0	35	-2.0	-89.62	341.41	0.01	-89.61
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C1=O	REAL300025573624	1	40	-2.0	-92.85	355.81	3.56	-89.29
O=C(NCC1=NC(=O)O[N-]1)C1=C([O-])C=NC2=CC=C(Br)C=C21	REAL300025573668	1	29	-2.0	-91.97	293.82	-0.21	-92.18
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(F)C=C(F)C=C2C1=O	REAL300025573723	0	29	-2.0	-83.33	279.52	0.90	-82.43
O=C(CCC(=O)NCC1=NC(=O)O[N-]1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300025573864	0	44	-2.0	-88.24	384.77	1.05	-87.19
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1[O-]	REAL300025573868	0	33	-2.0	-108.69	330.04	1.88	-106.81
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2[N-]C(CC3=CC=CC=C3)=CC2=O)C=C1	REAL300025573947	0	44	-2.0	-85.07	386.67	5.16	-79.91
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300025574049	0	31	-2.0	-103.35	295.73	0.34	-103.01
O=C(NCC1=NC(=O)O[N-]1)C1=C([O-])C=NC2=CC=C(Cl)C=C21	REAL300025574057	1	29	-2.0	-92.39	289.26	-0.30	-92.69
O=C(NCC1=NC(=O)O[N-]1)C1=C([O-])C=NC2=C(Br)C=CC=C21	REAL300025574248	1	29	-2.0	-92.45	292.31	-0.09	-92.54
O=C([N-]CC1=NC(=O)O[N-]1)C(F)(F)C1=CC(Cl)=CC=C1Cl	REAL300025574332	1	26	-2.0	-101.42	282.61	0.84	-100.58
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300025574359	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	REAL300025574360	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	REAL300025574379	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	REAL300025574381	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	REAL300025574390	0	29	-2.0	-82.76	279.30	0.88	-81.88
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=C(F)C=CC(F)=C2C1=O	REAL300025574392	0	29	-2.0	-90.59	277.74	0.89	-89.70
O=C(NCC1=NC(=O)O[N-]1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300025574401	0	26	-2.0	-86.15	269.12	2.37	-83.78