O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(I)=C1[O-]	REAL300025554508	0	24	-2.0	-88.54	253.09	1.71	-86.83
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025554524	0	35	-2.0	-95.92	321.94	-1.41	-97.33
O=C(NCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300025554540	0	34	-2.0	-109.81	319.22	1.70	-108.11
O=C(NCC1=NC(=O)O[N-]1)C1=CN=C(C2CCOCC2)[N-]C1=O	REAL300025557526	1	36	-2.0	-93.10	310.04	-2.13	-95.23
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1	REAL300025557587	0	34	-2.0	-76.35	324.11	1.76	-74.59
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NCC1=NC(=O)O[N-]1	REAL300025557603	0	32	-2.0	-97.26	296.82	-3.46	-100.72
O=C(NCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C1=O	REAL300025557904	1	40	-2.0	-92.85	355.81	3.56	-89.29
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300025557930	0	29	-2.0	-75.12	285.15	-0.31	-75.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300025562525	0	34	-2.0	-83.97	333.38	-1.08	-85.05
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300025562582	1	30	-2.0	-100.19	287.26	2.09	-98.10
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(I)C([O-])=C1	REAL300025562758	1	27	-2.0	-82.18	277.42	0.59	-81.59
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300025562766	0	32	-2.0	-85.02	313.24	-2.25	-87.27
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562767	0	31	-2.0	-85.94	287.01	-0.49	-86.43
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300025562768	0	27	-2.0	-85.19	272.93	0.11	-85.08
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCCC1=NC(=O)O[N-]1	REAL300025562787	0	35	-2.0	-86.42	315.47	-1.66	-88.08
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=CC(I)=C1[O-]	REAL300025562789	0	27	-2.0	-99.51	275.27	2.20	-97.31
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NCCC2=NC(=O)O[N-]2)=C1	REAL300025562805	0	38	-2.0	-104.08	344.13	-0.92	-105.00
O=C(NCCC1=NC(=O)O[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300025562823	0	37	-2.0	-112.32	341.40	2.20	-110.12
O=C(NCCC1=NC(=O)O[N-]1)C1=C[N-]C2=CC=C(OC3=CC=CC=C3)C=C2C1=O	REAL300025566823	1	43	-2.0	-86.74	378.54	4.10	-82.64
O=C(NCCC1=NC(=O)O[N-]1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300025566854	0	32	-2.0	-86.21	307.33	0.19	-86.02
O=C(NCCC1=NC(=O)O[N-]1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300025566905	0	27	-2.0	-94.94	271.13	1.66	-93.28
CCOC(=O)C1=CNN=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025567523	1	33	-2.0	-116.29	313.58	-2.35	-118.64
CN1C=NC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1Cl	REAL300025567560	1	27	-2.0	-109.71	278.20	-1.38	-111.09
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2Cl)[N-]O1	REAL300025567595	1	27	-2.0	-95.90	301.08	0.86	-95.04
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Br)C=CS2)[N-]O1	REAL300025567616	1	24	-2.0	-100.80	273.04	-1.38	-102.18
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(Br)=CN=C2Cl)[N-]O1	REAL300025567620	1	26	-2.0	-94.53	290.35	-1.64	-96.17
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=CC(F)=C2[N+](=O)[O-])[N-]O1	REAL300025567628	1	29	-2.0	-110.03	294.15	0.45	-109.58
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(Br)=CC=C2[N+](=O)[O-])[N-]O1	REAL300025567636	1	29	-2.0	-107.18	300.57	1.27	-105.91
O=C1N=C(CC[N-]S(=O)(=O)C2=C(F)C=C(F)C=C2F)[N-]O1	REAL300025567641	0	27	-2.0	-100.31	275.66	-0.60	-100.91
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C=CC=C2[N+](=O)[O-])[N-]O1	REAL300025567651	1	29	-2.0	-113.51	294.41	1.28	-112.23
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)NCCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025567658	1	35	-2.0	-89.62	331.54	-4.02	-93.64
O=C1N=C(CC[N-]S(=O)(=O)C2=C(F)C=CC=C2[N+](=O)[O-])[N-]O1	REAL300025567659	0	29	-2.0	-117.35	286.73	0.79	-116.56
COC1=CC(F)=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025567677	1	31	-2.0	-106.02	298.73	-1.37	-107.39
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=CC(F)=C2F)[N-]O1	REAL300025567683	1	27	-2.0	-104.90	272.53	-0.83	-105.73
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(Cl)=CC=C2[N+](=O)[O-])[N-]O1	REAL300025567687	1	29	-2.0	-107.44	296.01	1.17	-106.27
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(Br)=C(F)C=C2F)[N-]O1	REAL300025567706	1	27	-2.0	-94.80	293.21	-0.22	-95.02
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=C(Br)C=C2[N+](=O)[O-])[N-]O1	REAL300025567713	1	29	-2.0	-104.20	300.54	1.28	-102.92
COC(=O)C1=CC=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)O1	REAL300025567732	1	30	-2.0	-96.38	300.28	-2.17	-98.55
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(F)=C(F)C=C2F)[N-]O1	REAL300025567737	1	27	-2.0	-94.21	278.91	-0.77	-94.98
O=C1N=C(CC[N-]S(=O)(=O)C2=CC=CN=C2[N+](=O)[O-])[N-]O1	REAL300025567750	1	28	-2.0	-110.10	276.53	-0.18	-110.28
CC(=O)NC1=CC(F)=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(F)=C1Cl	REAL300025567757	0	34	-2.0	-107.99	338.82	-1.15	-109.14
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)[N-]O1	REAL300025567769	0	32	-2.0	-101.46	321.13	-1.51	-102.97
O=C1N=C(CCNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)[N-]O1	REAL300025567769	1	32	-2.0	-101.43	321.19	-1.52	-102.95
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]CCC1=NC(=O)O[N-]1	REAL300025567779	1	31	-2.0	-104.97	298.39	-0.47	-105.44
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C=CC=C2C(F)(F)F)[N-]O1	REAL300025567786	1	30	-2.0	-106.14	299.14	1.20	-104.94
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C=C(Cl)C=C2[N+](=O)[O-])[N-]O1	REAL300025567816	0	29	-2.0	-102.77	311.14	1.79	-100.98
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)O1	REAL300025567848	1	33	-2.0	-96.50	322.14	-1.24	-97.74
COC(=O)C1=CC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C(Br)O1	REAL300025567868	1	30	-2.0	-93.45	320.07	-1.55	-95.00
O=C1N=C(CC[N-]S(=O)(=O)C2=CC3=CC=CC=C3O2)[N-]O1	REAL300025567877	1	30	-2.0	-104.55	290.49	-0.55	-105.10
CC1=C(Br)SC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=N1	REAL300025567893	0	26	-2.0	-97.10	289.08	-2.72	-99.82
N#CC1=CC(F)=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(F)=C1	REAL300025567898	0	28	-2.0	-99.72	290.03	-0.27	-99.99
O=C1N=C(CC[N-]S(=O)(=O)C2=C(Cl)C=CN=C2Cl)[N-]O1	REAL300025567911	1	26	-2.0	-99.76	279.72	-1.51	-101.27
O=C1N=C(CC[N-]S(=O)(=O)C2=CC(F)=C(Br)C=C2F)[N-]O1	REAL300025567919	0	27	-2.0	-94.91	293.21	-0.22	-95.13
COC(=O)C1=COC(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)=C1	REAL300025567923	1	30	-2.0	-100.82	300.62	-2.21	-103.03
O=C1N=C(CC[N-]S(=O)(=O)C2=C(F)C(F)=C(F)C(F)=C2F)[N-]O1	REAL300025567929	0	27	-2.0	-90.55	287.97	-0.47	-91.02
CCN1C=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C([N+](=O)[O-])=N1	REAL300025567932	1	32	-2.0	-107.17	311.05	-0.06	-107.23
CCCCCCN1C=C(S(=O)(=O)[N-]CCC2=NC(=O)O[N-]2)C(=O)NC1=O	REAL300025567935	1	45	-2.0	-104.32	396.94	-0.19	-104.51
O=C1N=C(CC[N-]S(=O)(=O)C2=C(F)C=CC=C2Br)[N-]O1	REAL300025567939	1	27	-2.0	-106.74	280.37	-0.01	-106.75
CCN1C=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C([N+](=O)[O-])=N1	REAL300025569509	1	29	-2.0	-111.16	289.91	-0.87	-112.03
CCCCCCN1C=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)C(=O)NC1=O	REAL300025569512	1	42	-2.0	-108.01	375.81	-1.01	-109.02
O=C1N=C(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Br)[N-]O1	REAL300025569517	1	24	-2.0	-108.30	259.22	-0.82	-109.12
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)SC(Br)=C2)[N-]O1	REAL300025569529	1	21	-2.0	-96.27	267.09	-1.50	-97.77
O=C1N=C(C[N-]S(=O)(=O)C2=C(Cl)C=C(F)C=C2Br)[N-]O1	REAL300025569564	1	24	-2.0	-96.20	273.17	-0.24	-96.44
O=C1N=C(C[N-]S(=O)(=O)C2=CN=C(Cl)C=C2Cl)[N-]O1	REAL300025569565	1	23	-2.0	-93.92	265.03	-2.57	-96.49
O=C1N=C(C[N-]S(=O)(=O)C2=CC=C(Br)O2)[N-]O1	REAL300025569579	1	21	-2.0	-98.81	243.97	-3.04	-101.85
O=C1N=C(C[N-]S(=O)(=O)C2=C(F)C=CC=C2Cl)[N-]O1	REAL300025569581	1	24	-2.0	-108.95	255.64	-0.96	-109.91
COC(=O)C1=C(S(=O)(=O)[N-]CC2=NC(=O)O[N-]2)SC=N1	REAL300025569588	0	26	-2.0	-106.58	274.74	-3.43	-110.01
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(I)C([O-])=C1	REAL300025573548	1	24	-2.0	-84.95	255.24	0.10	-84.85
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NCC2=NC(=O)O[N-]2)=C1	REAL300025573555	0	35	-2.0	-95.92	321.94	-1.41	-97.33
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCC1=NC(=O)O[N-]1	REAL300025573570	0	32	-2.0	-79.56	294.03	-2.21	-81.77
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(I)=C1[O-]	REAL300025573572	0	24	-2.0	-88.54	253.09	1.71	-86.83