COC(=O)C1=CC(N)=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1C	REAL300012108175	0	36	-2.0	-136.39	317.32	6.56	-129.83
O=C([O-])C1=CC(C2=C(Cl)C=C3OC=CC3=C2)=CN=C1C(=O)[O-]	REAL300012108177	0	28	-2.0	-138.22	280.15	8.59	-129.63
COC(F)(F)C(F)(F)C1=CC=C(C(=CC(=O)[O-])C(=O)[O-])C=C1	REAL300012108179	0	30	-2.0	-126.12	292.18	8.12	-118.00
COC(F)(F)C(F)(F)C1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012108180	0	35	-2.0	-133.24	326.95	8.31	-124.93
CN1N=C(C2=CC=CC=C2)C=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012108182	0	35	-2.0	-131.24	311.09	8.66	-122.58
COC(=O)C1=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C(C)C=N1	REAL300012108184	0	33	-2.0	-133.84	308.46	7.22	-126.62
O=C([O-])C1=CC(C2=CC(Br)=CN=C2F)=CN=C1C(=O)[O-]	REAL300012108186	0	24	-2.0	-134.04	261.67	6.65	-127.39
O=C([O-])C1=CC(C2=CC(F)=C(F)C=C2CO)=CN=C1C(=O)[O-]	REAL300012108188	0	29	-2.0	-128.15	274.39	5.12	-123.03
CC(C)(C)C1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300012108190	0	36	-2.0	-137.62	308.31	8.52	-129.10
O=C([O-])C1=CC(C2=CC=CC(SC(F)(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012108192	0	29	-2.0	-131.03	287.13	9.02	-122.01
CC(C)(C)OC(=O)NCC1=CC=C(C(=CC(=O)[O-])C(=O)[O-])O1	REAL300012108194	0	37	-2.0	-131.14	328.29	6.33	-124.81
CC(C)(C)OC(=O)NCC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)O1	REAL300012108195	0	42	-2.0	-138.46	364.73	6.48	-131.98
N#CC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1C1CC1	REAL300012108197	0	33	-2.0	-131.65	298.69	9.89	-121.76
CC1=CN(C2=CC=CC(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)=C2)N=C1	REAL300012108199	0	35	-2.0	-140.00	311.02	9.42	-130.58
COC(=O)C(F)(F)C1=CC=C(C(=CC(=O)[O-])C(=O)[O-])C=C1	REAL300012108201	0	29	-2.0	-128.88	283.22	8.92	-119.96
COC(=O)C(F)(F)C1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012108202	0	34	-2.0	-134.63	318.01	9.10	-125.53
O=C([O-])C1=CC(C2=CC=CC(Cl)=C2CO)=CN=C1C(=O)[O-]	REAL300012108204	0	29	-2.0	-135.86	277.84	5.52	-130.34
CC1=CC(F)=CC(CO)=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012108206	0	32	-2.0	-130.74	292.21	5.81	-124.93
O=C([O-])C1=CC(C2=CC(Cl)=CC(Cl)=C2)=CN=C1C(=O)[O-]	REAL300012108208	0	25	-2.0	-131.97	267.53	8.71	-123.26
O=C([O-])C1=CC(C2=CC=CC(N3C=CC=N3)=C2)=CN=C1C(=O)[O-]	REAL300012108210	0	32	-2.0	-142.08	292.46	8.88	-133.20
O=C([O-])C1=CC(C2=CC=C(N3C=CC=N3)C=C2)=CN=C1C(=O)[O-]	REAL300012108212	0	32	-2.0	-136.85	289.15	8.75	-128.10
O=C([O-])C1=CC(C2=CC=CC(N3C=NN=N3)=C2)=CN=C1C(=O)[O-]	REAL300012108214	0	30	-2.0	-144.71	282.32	7.85	-136.86
CC(C)(O)C1=CC=CC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012108217	0	35	-2.0	-136.64	290.06	5.90	-130.74
CC1=CC=C(OCC2=CC=CC=C2Cl)C(C(=CC(=O)[O-])C(=O)[O-])=C1	REAL300012108218	0	37	-2.0	-148.50	344.77	12.10	-136.40
CC1=CC=C(OCC2=CC=CC=C2Cl)C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012108219	0	42	-2.0	-140.62	381.12	12.41	-128.21
N#CC1=CC(C(F)(F)F)=CC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012108221	0	29	-2.0	-133.31	293.19	8.82	-124.49
O=C([O-])C1=CC(C2=CC=C(C3OCC3(F)F)C=C2)=CN=C1C(=O)[O-]	REAL300012108223	0	33	-2.0	-140.98	305.35	8.07	-132.91
CN1CCOC(C2=CC=CC(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)=C2)C1	REAL300012108225	0	41	-2.0	-135.24	342.32	6.77	-128.47
O=C([O-])C1=CC(C2=CC(Cl)=CC=C2CO)=CN=C1C(=O)[O-]	REAL300012108227	0	29	-2.0	-131.40	278.43	5.52	-125.88
CC(C)OC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1F	REAL300012108230	0	35	-2.0	-134.54	309.54	8.60	-125.94
CC1=CC=C(NS(C)(=O)=O)C=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012108232	0	36	-2.0	-138.45	325.97	4.88	-133.57
CC1=NN(C)C(Cl)=C1C=CC1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012108234	0	32	-2.0	-137.95	311.19	7.94	-130.01
CNS(=O)(=O)NC1=CC=C(C(=CC(=O)[O-])C(=O)[O-])C=C1	REAL300012108236	0	30	-2.0	-135.88	284.95	2.91	-132.97
CNS(=O)(=O)NC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012108237	0	35	-2.0	-141.12	319.97	3.08	-138.04
CCN(CC)C1=NC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300012108239	0	37	-2.0	-136.99	324.07	10.16	-126.83
O=C([O-])C1=CC(C2=CC=C(F)C(C(F)(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012108244	0	28	-2.0	-131.04	278.34	8.75	-122.29
O=C([O-])C1=CC(C2=CC3=CC=C(Cl)C=C3C=C2)=CN=C1C(=O)[O-]	REAL300012108247	0	31	-2.0	-134.99	293.51	10.33	-124.66
CN1C(=O)CCC2=CC(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)=CC=C21	REAL300012108249	0	36	-2.0	-137.57	307.38	8.48	-129.09
CN1N=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1C(F)(F)F	REAL300012108252	0	28	-2.0	-132.92	273.34	6.22	-126.70
COC(=O)C(=O)C1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1	REAL300012108254	0	33	-2.0	-134.47	304.24	8.48	-125.99
CC1(C)CC2=CC=CC(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)=C2O1	REAL300012108256	0	36	-2.0	-142.45	317.71	9.18	-133.27
O=C([O-])C1=CC(C2=COC(C(F)(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012108258	0	25	-2.0	-131.90	260.00	7.10	-124.80
COC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C)=C1F	REAL300012108260	0	32	-2.0	-132.58	287.17	7.50	-125.08
NS(=O)(=O)C1=CC=C(C(=CC(=O)[O-])C(=O)[O-])C=C1C(F)(F)F	REAL300012108261	0	28	-2.0	-128.76	277.52	3.85	-124.91
NS(=O)(=O)C1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=C1C(F)(F)F	REAL300012108262	0	33	-2.0	-132.93	308.49	3.85	-129.08
O=C([O-])C1=CC(C2=C(Cl)SC(Cl)=C2)=CN=C1C(=O)[O-]	REAL300012108264	0	22	-2.0	-131.62	261.91	8.01	-123.61
O=C([O-])C1=CC(C2=CC=C(CC(F)(F)F)C=C2)=CN=C1C(=O)[O-]	REAL300012108266	0	31	-2.0	-137.51	291.81	9.35	-128.16
CC1=CC(NC(=O)OC(C)(C)C)=CC(C(=CC(=O)[O-])C(=O)[O-])=C1	REAL300012108268	0	40	-2.0	-146.06	341.08	8.34	-137.72
CC1=CC(NC(=O)OC(C)(C)C)=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012108269	0	45	-2.0	-137.84	377.54	8.58	-129.26
O=C([O-])C1=CC(C2=CC3=CC=CC(F)=C3S2)=CN=C1C(=O)[O-]	REAL300012108271	0	28	-2.0	-141.08	280.22	9.37	-131.71
CC1=CC=C2C=C(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)SC2=C1	REAL300012108273	0	31	-2.0	-138.98	295.45	9.97	-129.01
CCN(CC)C1=NC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=N1	REAL300012108275	0	37	-2.0	-136.99	324.07	10.16	-126.83
O=C([O-])C=C(C(=O)[O-])C1=CC=C(S(=O)(=O)C(F)(F)F)C=C1	REAL300012108277	0	26	-2.0	-126.75	276.47	5.51	-121.24
O=C([O-])C1=CC(C2=CC=C(S(=O)(=O)C(F)(F)F)C=C2)=CN=C1C(=O)[O-]	REAL300012108278	0	31	-2.0	-134.48	311.24	5.70	-128.78
O=C([O-])C=C(C(=O)[O-])C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1	REAL300012108280	0	26	-2.0	-134.72	280.11	5.73	-128.99
O=C([O-])C1=CC(C2=CC=CC(S(=O)(=O)C(F)(F)F)=C2)=CN=C1C(=O)[O-]	REAL300012108281	0	31	-2.0	-137.13	314.51	5.82	-131.31
CCN1C=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300012108283	0	35	-2.0	-135.02	314.01	8.59	-126.43
CC(F)(F)C1=CC=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012108285	0	31	-2.0	-135.75	287.27	9.22	-126.53
CC(F)(F)C1=CC=CC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012108287	0	31	-2.0	-149.28	281.89	8.95	-140.33
O=C([O-])C1=CC(C2=CC=C(N3C=CC=N3)C=C2)=CN=C1C(=O)[O-]	REAL300012108289	0	32	-2.0	-136.85	289.15	8.75	-128.10
O=C([O-])C1=CC(C2=CNN=C2C2=CC=CC=N2)=CN=C1C(=O)[O-]	REAL300012108294	0	31	-2.0	-143.43	293.21	6.46	-136.97
CC(C)(C)OC(=O)N1CCC(N2C=C(C(=CC(=O)[O-])C(=O)[O-])C=N2)CC1	REAL300012108297	0	47	-2.0	-134.74	387.12	9.36	-125.38
O=C([O-])C1=CC(C2=CC=C(CC3=NN=CO3)C=C2)=CN=C1C(=O)[O-]	REAL300012108300	0	33	-2.0	-143.95	303.75	4.19	-139.76
CC1=NN=C(CC2=CC=C(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)C=C2)O1	REAL300012108302	0	36	-2.0	-143.60	325.73	4.94	-138.66
CC1=NN=C(CC2=CC=CC(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)=C2)O1	REAL300012108304	0	36	-2.0	-144.70	325.68	4.93	-139.77
CC(C)C1=CC=C(O)C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012108306	0	35	-2.0	-136.09	305.38	7.03	-129.06
CC1=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C2=CC=CC=C2)=NO1	REAL300012108308	0	34	-2.0	-131.36	314.81	9.62	-121.74
COC1=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC([N+](=O)[O-])=C1	REAL300012108310	0	31	-2.0	-137.13	291.75	7.65	-129.48
COCC1=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=CC=C1Cl	REAL300012108312	0	32	-2.0	-132.96	298.95	7.95	-125.01
CC1=CN(C2=CC=C(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)C=C2)N=C1	REAL300012108314	0	35	-2.0	-136.63	311.03	9.43	-127.20
CC1=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C=CC2=CC=CC=C21	REAL300012108316	0	34	-2.0	-136.88	294.95	10.30	-126.58
COC1=CC(NC(=O)OC(C)(C)C)=CC=C1C(=CC(=O)[O-])C(=O)[O-]	REAL300012108319	0	41	-2.0	-143.85	348.24	7.03	-136.82
COC1=CC(NC(=O)OC(C)(C)C)=CC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012108320	0	46	-2.0	-141.23	387.61	7.47	-133.76
CC1=CC=NC2=CC=C(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)C=C12	REAL300012108323	0	33	-2.0	-137.50	289.79	8.50	-129.00
O=C([O-])C1=CC(C2=CC=C3CCOC(=O)C3=C2)=CN=C1C(=O)[O-]	REAL300012108325	0	32	-2.0	-140.30	286.52	8.50	-131.80
CC1=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C(C2=CC=C(F)C=C2)=NO1	REAL300012108327	0	34	-2.0	-130.86	324.33	9.82	-121.04
O=C([O-])C1=CC(C2=CC=C3NCCOCC3=C2)=CN=C1C(=O)[O-]	REAL300012108329	0	35	-2.0	-137.35	297.61	5.97	-131.38
O=C([O-])C1=CC(C2=CC3=CC=C(Cl)C=C3O2)=CN=C1C(=O)[O-]	REAL300012108331	0	28	-2.0	-135.74	279.86	8.75	-126.99
CN1N=C(C(=CC(=O)[O-])C(=O)[O-])C(Br)=C1C(F)(F)F	REAL300012108334	0	23	-2.0	-128.72	251.22	6.61	-122.11
CN1N=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C(Br)=C1C(F)(F)F	REAL300012108335	0	28	-2.0	-129.74	290.95	6.60	-123.14
CS(=O)(=O)C1=CC=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012108337	0	31	-2.0	-141.81	291.44	5.08	-136.73
O=C([O-])C1=CC(C2=CC3=C(F)C=CC=C3S2)=CN=C1C(=O)[O-]	REAL300012108339	0	28	-2.0	-137.51	280.19	9.35	-128.16
O=C([O-])C1=CC(C2=CC3=NC=CC=C3S2)=CN=C1C(=O)[O-]	REAL300012108341	0	27	-2.0	-137.58	268.69	7.40	-130.18
O=C([O-])C1=CC(C2=CC=CC3=NSN=C32)=CN=C1C(=O)[O-]	REAL300012108343	0	26	-2.0	-139.05	265.55	6.30	-132.75
O=C([O-])C1=CC(C2=CC=C3OC(=O)NC3=C2)=CN=C1C(=O)[O-]	REAL300012108345	0	28	-2.0	-134.94	265.84	5.18	-129.76
CCC1=CNC2=NC=C(C3=CN=C(C(=O)[O-])C(C(=O)[O-])=C3)C=C12	REAL300012108347	0	34	-2.0	-140.03	303.89	8.42	-131.61
O=C([O-])C1=CC(C2=CSC(C(F)F)=N2)=CN=C1C(=O)[O-]	REAL300012108349	0	24	-2.0	-145.91	254.23	5.80	-140.11
CC1=CC(C(F)(F)F)=NC=C1C1=CN=C(C(=O)[O-])C(C(=O)[O-])=C1	REAL300012108351	0	30	-2.0	-131.46	291.70	7.65	-123.81
O=C([O-])C1=CC(C2=CC=C(F)C([N+](=O)[O-])=C2)=CN=C1C(=O)[O-]	REAL300012108353	0	27	-2.0	-131.49	266.77	8.38	-123.11
O=C([O-])C1=CC(C2=CC=C([N+](=O)[O-])C(F)=C2)=CN=C1C(=O)[O-]	REAL300012108355	0	27	-2.0	-129.55	266.77	8.38	-121.17
CC(C)(C)OC(=O)N1[C@@H](C=CC(=CC(=O)[O-])C(=O)[O-])COC1(C)C	REAL300012108356	0	45	-2.0	-135.63	369.26	7.79	-127.84
CC(C)(C)OC(=O)N1[C@@H](C=CC2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)COC1(C)C	REAL300012108357	0	50	-2.0	-136.34	408.93	8.16	-128.18
CCOC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C(F)=C1	REAL300012108359	0	32	-2.0	-133.89	293.41	7.99	-125.90
O=C([O-])C1=CC(C2=CC=C(OC(F)F)C=C2)=CN=C1C(=O)[O-]	REAL300012108362	0	29	-2.0	-138.72	270.01	7.14	-131.58
COC(=O)C1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)C(O)=C1	REAL300012108364	0	32	-2.0	-135.66	299.83	5.75	-129.91
CC(C)(C)OC(=O)NC1=NC=C(C(=CC(=O)[O-])C(=O)[O-])S1	REAL300012108366	0	33	-2.0	-132.76	307.38	6.59	-126.17
CC(C)(C)OC(=O)NC1=NC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300012108367	0	38	-2.0	-136.00	342.76	6.68	-129.32
O=C([O-])C1=CC(C2=CC=C(OC(F)F)C=C2)=CN=C1C(=O)[O-]	REAL300012108369	0	29	-2.0	-138.72	270.01	7.14	-131.58
O=C([O-])C1=CC(C2=CC3=CC=CC(F)=C3O2)=CN=C1C(=O)[O-]	REAL300012108371	0	28	-2.0	-141.65	269.57	8.30	-133.35
CC(C)(C)C1=CC(O)=CC(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)=C1	REAL300012108373	0	38	-2.0	-137.77	321.24	7.15	-130.62
CC(C)(C)OC(=O)NCC1=CC=C(C(=CC(=O)[O-])C(=O)[O-])S1	REAL300012108375	0	37	-2.0	-132.11	337.38	7.23	-124.88
CC(C)(C)OC(=O)NCC1=CC=C(C2=CN=C(C(=O)[O-])C(C(=O)[O-])=C2)S1	REAL300012108376	0	42	-2.0	-138.22	372.28	7.37	-130.85
CC1=CC=C(C(=O)[O-])C=C1C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300012108414	1	41	-2.0	-112.81	363.00	9.13	-103.68
COC(=O)C(C)=C([O-])C1=CC=CC(C2=CC(C(=O)[O-])=CC=C2C)=C1	REAL300012108494	0	40	-2.0	-123.59	342.86	10.82	-112.77
CC(=O)[N-]S(=O)(=O)C1=CC=C(C2=CC(C(=O)[O-])=CC=C2C)C=C1	REAL300012108506	0	36	-2.0	-101.24	330.41	4.72	-96.52
CCS(=O)(=O)[N-]C1=CC(C2=CC(C(=O)[O-])=CC=C2C)=CC=C1OC	REAL300012108584	1	41	-2.0	-126.77	354.05	6.17	-120.60
CC1=CC=C(C(=O)[O-])C=C1C1=C2OC=C([O-])C2=CC(Cl)=C1	REAL300012108613	1	30	-2.0	-98.63	287.73	7.90	-90.73
CC1=CC(=O)N(C2=CC=C(C3=CC(C(=O)[O-])=CC=C3C)C=N2)[N-]1	REAL300012108846	0	36	-2.0	-100.65	315.48	8.84	-91.81
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C(C)CCC(=O)[O-])C=C1	REAL300012108997	0	41	-2.0	-99.46	340.77	12.39	-87.07
O=C([O-])C1=CC=C(CO)C(C2=CC=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)=C1	REAL300012109310	1	42	-2.0	-111.55	370.68	5.92	-105.63
O=C([O-])C1=CC=C(CO)C(C2=CC=CC(C3=NC(=O)O[N-]3)=C2)=C1	REAL300012109342	0	33	-2.0	-106.51	298.87	3.64	-102.87
COC(=O)C(C)=C([O-])C1=CC=CC(C2=CC(C(=O)[O-])=CC=C2CO)=C1	REAL300012109430	0	41	-2.0	-120.13	350.50	7.60	-112.53
CC(=O)[N-]S(=O)(=O)C1=CC=C(C2=CC(C(=O)[O-])=CC=C2CO)C=C1	REAL300012109446	0	37	-2.0	-100.29	338.06	1.51	-98.78
CCS(=O)(=O)[N-]C1=CC(C2=CC(C(=O)[O-])=CC=C2CO)=CC=C1OC	REAL300012109553	1	42	-2.0	-124.86	363.05	3.01	-121.85
O=C([O-])C1=CC=C(CO)C(C2=C3OC=C([O-])C3=CC(Cl)=C2)=C1	REAL300012109601	1	31	-2.0	-97.32	295.70	4.78	-92.54
CC1=CC(=O)N(C2=CC=C(C3=CC(C(=O)[O-])=CC=C3CO)C=N2)[N-]1	REAL300012109954	0	37	-2.0	-99.03	324.62	5.70	-93.33
O=C([O-])C1=CC=C(CO)C(C2=CC=C(C3=NC(=O)O[N-]3)C=C2)=C1	REAL300012109980	0	33	-2.0	-93.11	298.82	3.65	-89.46
N#CCCC(NC1=CC=C(S(=O)(=O)[N-]C2=CC(F)=CC(F)=C2)C=N1)C(=O)[O-]	REAL300013385265	0	39	-2.0	-89.33	371.26	5.41	-83.92
N#CCCC(NC1=CC=C(S(=O)(=O)[N-]C2=CC=C(F)C(F)=C2)C=N1)C(=O)[O-]	REAL300013385266	1	39	-2.0	-91.48	370.92	5.44	-86.04
CC1=C(C)C(=O)[N-]C(C2=CC=C(NC(CCC#N)C(=O)[O-])N=C2)=N1	REAL300013385267	1	39	-2.0	-99.03	343.76	5.47	-93.56
O=C([O-])C1=CN=C(NCC2CCCC(F)(F)C(=O)[N-]2)C(Cl)=C1	REAL300013385478	1	34	-2.0	-89.30	305.57	3.37	-85.93
O=C([O-])C1CCN(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3)C=C2[N+](=O)[O-])C1	REAL300013385816	1	42	-2.0	-91.73	369.42	7.33	-84.40
O=C([O-])C1CCN(C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C2=CC=CC=C2)C1	REAL300013385991	0	44	-2.0	-118.57	377.84	5.74	-112.83
O=C([O-])CCCCNC(=O)N1CCC(OCC(=O)[O-])CC1	REAL300013685022	0	41	-2.0	-101.27	338.78	6.27	-95.00
O=C([O-])CCCCNC(=O)NCC1(C(=O)[O-])CCCOC1	REAL300013685103	0	41	-2.0	-97.32	332.37	4.07	-93.25
CC(C)(CC1=CC=C(CNC(=O)NCCCCC(=O)[O-])C=C1)C(=O)[O-]	REAL300013685264	0	49	-2.0	-97.75	403.06	8.18	-89.57
O=C([O-])CCCCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013685408	0	37	-2.0	-95.53	324.53	6.04	-89.49
CC1=NN(C2CCN(C(=O)NCCCCC(=O)[O-])CC2)C(=O)[N-]1	REAL300013685491	1	44	-2.0	-97.05	361.20	4.30	-92.75
COC1CC(C(=O)[O-])CN(C(=O)NCCCCC(=O)[O-])C1	REAL300013685597	0	41	-2.0	-97.41	335.59	5.27	-92.14
O=C([O-])CCCCNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O	REAL300013685627	0	46	-2.0	-104.94	383.06	4.74	-100.20
CC(C)(CNC(=O)N1CCC(OCC(=O)[O-])CC1)C(=O)[O-]	REAL300013716649	0	41	-2.0	-101.98	330.63	6.11	-95.87
CC(C)(CNC(=O)NCC1(C(=O)[O-])CCCOC1)C(=O)[O-]	REAL300013716730	0	41	-2.0	-102.48	327.10	4.24	-98.24
CC(C)(CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C(=O)[O-]	REAL300013716891	0	49	-2.0	-98.16	394.93	8.08	-90.08
CC(C)(CC1=CC=C(CNC(=O)NCCCC(=O)[O-])C=C1)C(=O)[O-]	REAL300013855879	0	46	-2.0	-94.97	381.57	7.42	-87.55
O=C([O-])CCCNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1	REAL300013855993	0	34	-2.0	-92.41	303.03	5.26	-87.15
CC(CNC(=O)NCC1=CC=C(CC(C)(C)C(=O)[O-])C=C1)C(=O)[O-]	REAL300013893349	0	46	-2.0	-97.31	378.61	7.36	-89.95
CC(CNC(=O)N1CCC(C(=O)[O-])(C(F)(F)F)C1)C(=O)[O-]	REAL300013893463	0	34	-2.0	-95.14	300.07	5.21	-89.93
CC1=NN(C2CCN(C(=O)NCC(C)C(=O)[O-])CC2)C(=O)[N-]1	REAL300013893525	1	41	-2.0	-96.98	336.75	3.47	-93.51
CC(CNC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O)C(=O)[O-]	REAL300013893623	0	43	-2.0	-102.86	359.39	3.96	-98.90